LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Ce", "K", "Tb", "Te" ]

12

A6B3C2D

Ce2KTb3Te6

K1 Tb3 Ce2 Te6

4

[ 1, 1, 1 ]

3

[ [ 4.4137877, 0, 0 ], [ 0, 9.12802029, 0.25590968 ], [ -2.20689385, -2.70225357, 9.45148443 ] ]

agm004615786

[ [ 2.20689385, 0, 0 ], [ 2.20689385, 4.564010145, 0.12795484 ], [ 2.20689385, -0.22314420957687886, 6.401085074704753 ], [ -9.273772737223847e-18, 6.648910929576879, 3.306309035295247 ], [ 2.206893827931062, 4.231292909849199, 6.406831784639835 ], [ 2.2068938521587835e-8, 2.194473810150801, 3.300562325360166 ], [ -7.495662161804262e-17, 6.642594330003533, 6.415974082249816 ], [ 2.20689164310615, 4.490079378691236, 3.2347237309369214 ], [ 2.20689385, -0.2168276100035324, 3.291420027750185 ], [ 0.0000021848249114999947, 2.424375610340183, 0.0690158146767343 ], [ 2.206891665175088, 4.001391109659817, 9.638378295323268 ], [ 0.000002206893849902534, 1.9356873413087639, 6.4726703790630795 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "K", "Tb", "Tb", "Tb", "Ce", "Ce", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.25, 0.5 ]

[ [ 0.6795638, 0, 0 ], [ 0, 0.7749711, -0.08131935 ], [ 0, -0.08131912, 0.64804196 ] ]

-61.75256

[ 0.001, 0.001, 0.015, 0.015, 1.049, 1.049, -0.008, -0.01, -0.008, -0.004, -0.004, -0.01 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00007301, -0.00026457 ], [ 0, -0.00007301, 0.00026457 ], [ 0, -0.00027706, -0.00346774 ], [ 0, 0.00027706, 0.00346774 ], [ 0, -0.00403362, -0.00022151 ], [ 0, 0.00127674, 0.00311484 ], [ 0, 0.00403362, 0.00022151 ], [ 0, -0.00136829, 0.00103818 ], [ 0, 0.00136829, -0.00103818 ], [ 0, -0.00127674, -0.00311484 ] ]

2.549705

17.293482

pbe

true

8cccea671d6c638711ad9e5c261882f2_12_K1Tb3Ce2Te6

[ "Ag", "Er", "In", "Y" ]

7

A2B2C2D

Ag2ErIn2Y2

Y2 Er1 In2 Ag2

4

[ 1, 1, 1 ]

3

[ [ 4.81796987, 0, 0 ], [ 2.40898494, 4.1724843, 0 ], [ 2.40898494, 1.3908281, 8.98368862 ] ]

agm004547563

[ [ 2.4089873477286035, 1.3908294908281, 5.597736828306432 ], [ 7.226952402271396, 4.1724829091719, 3.385951791693569 ], [ 0, 0, 0 ], [ 7.226957197501001, 4.172485676919819, 7.023217061992239 ], [ 2.408982552498998, 1.390826723080181, 1.9604715580077618 ], [ 4.817969873938453, 2.7816561999999996, 1.6308630769940924 ], [ 4.817969876061546, 2.7816562, 7.352825543005908 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Y", "Er", "In", "In", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.2857142857142857, 0.2857142857142857 ]

[ [ 3.2086709, 0, 0 ], [ 0, 3.2086709, 0 ], [ 0, 0, 3.1503866 ] ]

-30.655149

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00795353 ], [ 0, 0, 0.00795353 ], [ 0, 0, 0 ], [ 0, 0, -0.00078634 ], [ 0, 0, 0.00078634 ], [ 0, 0, -0.00466579 ], [ 0, 0, 0.00466579 ] ]

0.00002

4.852366

pbe

true

329c15701113fa9f0761c8cbd34d6957_166_Y2Er1In2Ag2

[ "Ag", "Ir", "Sn", "Ti" ]

4

ABCD

AgIrSnTi

Ti1 Ag1 Sn1 Ir1

4

[ 1, 1, 1 ]

3

[ [ 4.59815437, 0, 0 ], [ 2.29907718, 3.98211849, 0 ], [ 2.29907718, 1.32737283, 3.75437732 ] ]

agm001908261

[ [ 2.2990771824999996, 1.32737283, 0.93859433 ], [ 4.598154364999999, 2.65474566, 1.87718866 ], [ 6.8972315475, 3.98211849, 2.81578299 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Ir", "Sn", "Ag", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 6.476894, 0, 0 ], [ 0, 6.476894, 0 ], [ 0, 0, 6.476894 ] ]

-24.663164

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

0.351455

pbe

true

5fd3daf0da8c0f04b715bbed48fdbb95_216_Ti1Ag1Sn1Ir1

[ "Cr", "Te", "Y" ]

3

ABC

CrTeY

Y1 Cr1 Te1

3

[ 1, 1, 1 ]

3

[ [ 4.66658915, 0, 0 ], [ 2.33329458, 4.04097674, 0.00014194 ], [ 2.33329458, 1.34714461, 3.80972849 ] ]

agm002265954

[ [ 4.666589150000198, 0.00009572087853549999, 0.00009025470916069999 ], [ 2.3332946008329203, 1.3470190357109204, 0.9524545017997934 ], [ 4.666589178332774, 2.6939762559105436, 1.904858065991046 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Cr", "Te" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.66951483, 0, 0 ], [ 0, 0.39425287, 0.27995142 ], [ 0, 0.27993983, 0.04742985 ] ]

-19.335685

[ 0.073, 2.795, -0.063 ]

[ [ 0, 0.00183397, 0.00172719 ], [ 0, 0.00085925, 0.00091165 ], [ 0, -0.00269322, -0.00263884 ] ]

3.022667

4.121248

pbe

true

b4eea76d112442784238c2ed2b71da93_216_Y1Cr1Te1

[ "Cu", "Mn", "N" ]

4

A2BC

CuMnN2

Mn1 Cu1 N2

3

[ 1, 1, 1 ]

3

[ [ 0, 2.59640863, 2.59640863 ], [ 2.59640863, 0, 2.59640863 ], [ 2.59640863, 2.59640863, 0 ] ]

agm002704939

[ [ 0, 0, 0 ], [ 2.59640863, 2.59640863, 2.59640863 ], [ 1.298204315, 1.298204315, 1.298204315 ], [ 3.894612945, 3.894612945, 3.894612945 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Mn", "Cu", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -3.2147775, 0, 0 ], [ 0, -3.2147775, 0 ], [ 0, 0, -3.2147775 ] ]

-26.370109

[ 3.031, -0.049, -0.274, -0.274 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.407574

1.823089

pbe

true

9ec4a1e5bf48ac638992993e8c902e0c_225_Mn1Cu1N2

[ "Er", "I", "Pr" ]

8

A6BC

ErI6Pr

Pr1 Er1 I6

3

[ 1, 1, 1 ]

3

[ [ 7.71536417, 0.01141638, 0.00933634 ], [ 3.84942045, 6.68394941, 0.01513954 ], [ 3.84682965, 2.22283287, 6.98904692 ] ]

agm003768822

[ [ 0, 0, 0 ], [ 7.705807135000001, 4.45909933, 3.5067614 ], [ 5.211354949969008, 4.449434623026805, 5.211616300469645 ], [ 8.95552672303227, 2.303436250081158, 5.214327343549516 ], [ 6.467775271627628, 2.300241627025766, 1.7936138250641231 ], [ 6.45608754696773, 6.614762409918842, 1.799195456450484 ], [ 10.200259320030993, 4.468764036973195, 1.8019064995303544 ], [ 8.943838998372371, 6.617957032974234, 5.219908974935877 ] ]

[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "Pr", "Er", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

[ [ 0.49695623, -0.02609873, -0.00548818 ], [ -0.02609872, 0.5920093, -0.01960756 ], [ -0.00548818, -0.01960757, 0.43600222 ] ]

-29.317887

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0013864, 0.00034987, -0.00098984 ], [ 0.00125145, -0.00038787, -0.00024736 ], [ 0.00111992, 0.00095235, 0.00120303 ], [ -0.00125145, 0.00038787, 0.00024736 ], [ -0.0013864, -0.00034987, 0.00098984 ], [ -0.00111992, -0.00095235, -0.00120303 ] ]

-0.000001

0

pbe

true

5ba9d8f8aa4053018f25acdc6cb719d0_148_Pr1Er1I6

[ "In", "Mg", "Pb" ]

19

A12B5C2

In12Mg2Pb5

Mg2 In12 Pb5

3

[ 1, 1, 1 ]

3

[ [ 5.31301167, 0.06975094, 1.29055158 ], [ 1.24389858, 9.4290345, 5.50244735 ], [ 0.0322388, 0.31717584, 10.98313429 ] ]

agm005675864

[ [ 5.642252285058242, 2.6204238434860545, 10.930260928597718 ], [ 0.9468967649417581, 7.195537436513945, 6.845872291402281 ], [ 1.6110690874225229, 8.813842878163907, 15.009530134582748 ], [ 1.7308823044772543, 5.225897321126268, 3.9853069490608934 ], [ 1.1411403604887802, 0.7909516967888699, 6.652879995339481 ], [ 3.9316442416435966, 6.119788039820424, 6.323834589030735 ], [ 3.384328480035638, 2.003893508632821, 8.799501765753307 ], [ 1.1376890235816188, 4.049736915726432, 6.984363731864834 ], [ 5.45146002641838, 5.766224364273568, 10.791769488135166 ], [ 2.657504808356403, 3.6961732401795757, 11.452298630969265 ], [ 3.204820569964362, 7.812067771367179, 8.976631454246693 ], [ 4.858266745522744, 4.590063958873733, 13.790826270939107 ], [ 5.448008689511219, 9.02500958321113, 11.12325322466052 ], [ 4.978079962577477, 1.0021184018360925, 2.766603085417251 ], [ 1.9773341551456396, 1.8942066534244253, 3.5863370221604325 ], [ 4.2336679388995675, 2.980232132704247, 5.890721773708524 ], [ 2.656505835, 0.03487547, 0.64527579 ], [ 2.3554811111004326, 6.835729147295752, 11.885411446291476 ], [ 4.611814894854359, 7.921754626575575, 14.189796197839568 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Mg", "Mg", "In", "In", "In", "In", "In", "In", "In", "In", "In", "In", "In", "In", "Pb", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.631578947368421, 0.10526315789473684, 0.2631578947368421 ]

[ [ 5.1439033, 0.04095419, 0.05349118 ], [ 0.04095402, 5.2355866, 0.05172804 ], [ 0.05349089, 0.05172807, 5.307743 ] ]

-54.053056

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00003122, -0.00023475, 0.0001412 ], [ 0.00003122, 0.00023475, -0.0001412 ], [ 0.00102801, 0.00007806, 0.00035705 ], [ 0.00006333, -0.00055468, 0.00210131 ], [ 0.00041232, 0.00206977, 0.00052274 ], [ -0.00019761, -0.00373786, 0.00086952 ], [ 0.00062892, 0.00247777, -0.00286911 ], [ -0.00312616, -0.00052633, -0.00156617 ], [ 0.00312616, 0.00052633, 0.00156617 ], [ 0.00019761, 0.00373786, -0.00086952 ], [ -0.00062892, -0.00247777, 0.00286911 ], [ -0.00006333, 0.00055468, -0.00210131 ], [ -0.00041232, -0.00206977, -0.00052274 ], [ -0.00102801, -0.00007806, -0.00035705 ], [ -0.0013734, -0.00009344, -0.00045897 ], [ -0.00254784, -0.00181527, -0.00358123 ], [ 0, 0, 0 ], [ 0.00254784, 0.00181527, 0.00358123 ], [ 0.0013734, 0.00009344, 0.00045897 ] ]

0

5.928968

pbe

true

2d5232096cd2f0eabdac43d5eece5947_12_Mg2In12Pb5

[ "In", "Mo", "Nb" ]

5

A3BC

InMo3Nb

Nb1 In1 Mo3

3

[ 1, 1, 1 ]

3

[ [ 4.77434517, 0, 0 ], [ 0, 4.77434517, 0 ], [ 0, 0, 4.77434517 ] ]

agm002551576

[ [ 0, 2.387172585, 0 ], [ 0, 0, 2.387172585 ], [ 2.387172585, 0, 0 ], [ 0, 0, 0 ], [ 2.387172585, 2.387172585, 2.387172585 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Mo", "Mo", "Mo", "Nb", "In" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 6.220077, 0, 0 ], [ 0, 6.220077, 0 ], [ 0, 0, 6.220077 ] ]

-37.065429

[ -0.008, 0.004, 0.004, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000049

6.829368

pbe

true

ef8360fe7cc7dcbb16272ffdbffb5451_221_Nb1In1Mo3

[ "Ir", "K", "Na" ]

4

A2BC

Ir2KNa

K1 Na1 Ir2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.42860044, 3.42860044 ], [ 3.42860044, 0, 3.42860044 ], [ 3.42860044, 3.42860044, 0 ] ]

agm002712729

[ [ 0, 0, 0 ], [ 3.42860044, 3.42860044, 3.42860044 ], [ 1.71430022, 1.71430022, 1.71430022 ], [ 5.14290066, 5.14290066, 5.14290066 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]

[ "Na", "K", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.0004742, 0, 0 ], [ 0, 1.0004742, 0 ], [ 0, 0, 1.0004742 ] ]

-14.064926

[ -0.004, 0.001, 0.448, 0.448 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.910831

6.529024

pbe

true

40f87e02af009f6067ee14497ef73af4_225_K1Na1Ir2

[ "Ce", "Sn", "Th" ]

10

A2B2C

Ce2SnTh2

Ce4 Th4 Sn2

3

[ 1, 1, 1 ]

3

[ [ 5.46570915, -1e-8, 0 ], [ -2.73285508, 4.73344363, 0 ], [ 0, 0, 12.38804162 ] ]

agm005878818

[ [ -0.000003069521410181648, 3.15563066114788, 7.365563232861296 ], [ 2.73285713952141, 1.57781295885212, 1.1715424228612965 ], [ 2.73285713952141, 1.57781295885212, 5.022478387138703 ], [ -0.000003069521410181648, 3.15563066114788, 11.216499197138702 ], [ 2.73285713952141, 1.57781295885212, 9.291031215 ], [ 0, 0, 0 ], [ 0, 0, 6.19402081 ], [ -0.000003069521410181648, 3.15563066114788, 3.097010405 ], [ 0, 0, 3.097010405 ], [ 0, 0, 9.291031215 ] ]

[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]

[ "Ce", "Ce", "Ce", "Ce", "Th", "Th", "Th", "Th", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 1.840878, -2e-7, 0 ], [ -2e-7, 1.8408786, 0 ], [ 0, 0, 1.7953365 ] ]

-60.674147

[ 0.881, 0.881, 0.881, 0.881, 0.165, 0.223, 0.223, 0.165, -0.024, -0.024 ]

[ [ 0, 0, -0.00284553 ], [ 0, 0, -0.00284553 ], [ 0, 0, 0.00284553 ], [ 0, 0, 0.00284553 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

5.96345

30.5278

pbe

true

96e630f16021354bb49d58270640e292_194_Ce4Th4Sn2

[ "Hg", "Pu", "Sn", "Tb" ]

4

ABCD

HgPuSnTb

Tb1 Pu1 Sn1 Hg1

4

[ 1, 1, 1 ]

3

[ [ 5.33471508, 0, 0 ], [ 2.66735754, 4.61999879, 0 ], [ 2.66735754, 1.5399996, 4.35577663 ] ]

agm001339263

[ [ 5.33471508, 3.079999195, 2.177888315 ], [ 8.00207262, 4.619998792500001, 3.2668324725 ], [ 2.66735754, 1.5399995975, 1.0889441575 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Tb", "Hg", "Sn", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.114802, 0, 0 ], [ 0, 5.114802, 0 ], [ 0, 0, 5.114802 ] ]

-24.85616

[ 0.395, 0.067, -0.047, 5.584 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

6.660283

10.209438

pbe

true

8210f8c337f5a8bbfc20097c54101a36_216_Tb1Pu1Sn1Hg1

[ "As", "Co", "Pt" ]

4

A2BC

AsCoPt2

Co1 As1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 2.90424145, -0.00445938, 0 ], [ 0.00414653, 2.90424191, 0 ], [ 0, 0, 7.16020307 ] ]

agm004325841

[ [ 1.4541939899999998, 1.449891265, 1.7900507675 ], [ 1.4541939899999998, 1.449891265, 5.370152302499999 ], [ 0, 0, 7.036338430683947 ], [ 0, 0, 3.703966174316053 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "As", "Co", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.7749133, 0.0467637, 0 ], [ 0.0467637, 5.7746363, 0 ], [ 0, 0, 5.29553 ] ]

-23.736435

[ -0.009, 1.927, 0.184, 0.184 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00358589 ], [ 0, 0, -0.00358589 ] ]

2.252202

4.459491

pbe

true

a9edf094c94c182ba282cb6999fe978a_123_Co1As1Pt2

[ "Au", "Ir", "Sm" ]

12

A3B2C

Au2IrSm3

Sm6 Ir2 Au4

3

[ 1, 1, 1 ]

3

[ [ 5.94207017, 0, 0 ], [ 0, 8.28554887, 0.00113379 ], [ -2.97103508, -2.07341875, 6.49477017 ] ]

agm003418905

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[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Ir", "Ir", "Au", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 2.0458376, 0, 0 ], [ 0, 2.0784898, -0.00724906 ], [ 0, -0.00724916, 2.1272173 ] ]

-67.653563

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00395536, 0, 0 ], [ 0.00395536, 0, 0 ], [ 0.00130898, -0.0001914, 0.00243675 ], [ 0.00130898, 0.0001914, -0.00243675 ], [ -0.00130898, -0.0001914, 0.00243675 ], [ -0.00130898, 0.0001914, -0.00243675 ], [ 0.00341267, 0, 0 ], [ -0.00341267, 0, 0 ], [ -0.0008888, -0.00080162, 0.00071596 ], [ 0.0008888, -0.00080162, 0.00071596 ], [ -0.0008888, 0.00080162, -0.00071596 ], [ 0.0008888, 0.00080162, -0.00071596 ] ]

-0.000003

7.374831

pbe

true

faadf3e2a4350e0e28f003743a9097db_15_Sm6Ir2Au4

[ "Au", "Ca", "H", "Sr" ]

5

A2BCD

AuCa2HSr

Sr1 Ca2 H1 Au1

4

[ 1, 1, 1 ]

3

[ [ 4.78699857, 0, 0 ], [ 0, 4.78699857, 0 ], [ 0, 0, 5.40021961 ] ]

agm001642253

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Sr", "Ca", "Ca", "Au", "H" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 3.0260935, 0, 0 ], [ 0, 3.0260935, 0 ], [ 0, 0, 3.446525 ] ]

-14.137415

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000002

2.452393

pbe

true

d9406c9ee300c03aaec72aa0116659e8_123_Sr1Ca2H1Au1

[ "Be", "In", "Si" ]

6

ABC

BeInSi

Be2 In2 Si2

3

[ 1, 1, 1 ]

3

[ [ 3.8691813, 0, 0 ], [ -1.93459065, 3.3508093, 0 ], [ 0, 0, 8.15237867 ] ]

agm002201347

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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Be", "Be", "Si", "Si", "In", "In" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.7097259, 0, 0 ], [ 0, 2.7097259, 0 ], [ 0, 0, -14.37524 ] ]

-21.946302

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.465585

pbe

true

fb2e459b0f6338ec1c145d4e63bb12fe_194_Be2In2Si2

[ "Ag", "S", "Sr", "U" ]

12

A6B3C2D

Ag3S6Sr2U

Sr2 U1 Ag3 S6

4

[ 1, 1, 1 ]

3

[ [ 7.51028802, -0.1871595, 0.19114039 ], [ -3.91542722, 6.41162105, 0.19114039 ], [ -1.04303475, -1.80600308, 5.97100223 ] ]

agm004640318

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Sr", "Sr", "U", "Ag", "Ag", "Ag", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.16666666666666666, 0.08333333333333333 ]

[ [ 1.8177732, -0.00523093, -0.01026909 ], [ -0.00523093, 1.811737, -0.01778081 ], [ -0.01026906, -0.01778076, 1.8410865 ] ]

-61.155617

[ -0.001, -0.001, 1.233, -0.009, -0.009, -0.011, -0.031, -0.027, -0.031, -0.031, -0.027, -0.031 ]

[ [ 0.00264317, -0.00152653, 0 ], [ -0.00264317, 0.00152653, 0 ], [ 0, 0, 0 ], [ -0.00391431, 0.00226066, 0 ], [ 0.00391431, -0.00226066, 0 ], [ 0, 0, 0 ], [ -0.00079829, 0.00391784, 0.00150611 ], [ -0.00026449, -0.00045796, -0.00364163 ], [ 0.00079829, -0.00391784, -0.00150611 ], [ 0.00379245, 0.00126652, 0.00150611 ], [ 0.00026449, 0.00045796, 0.00364163 ], [ -0.00379245, -0.00126652, -0.00150611 ] ]

0.999999

0.005917

pbe

true

6ef1e11a0a298ae2819a84a0cb459b04_12_Sr2U1Ag3S6

[ "Cu", "Os", "W" ]

4

A2BC

Cu2OsW

Cu2 Os1 W1

3

[ 1, 1, 1 ]

3

[ [ 3.69119783, 0, 0 ], [ 0, 3.69119783, 0 ], [ 0, 0, 4.03753332 ] ]

agm003913508

[ [ 0, 0, 0 ], [ 1.845598915, 1.845598915, 0 ], [ 1.845598915, 0, 2.01876666 ], [ 0, 1.845598915, 2.01876666 ] ]

[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Cu", "Cu", "Os", "W" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -12.536603, 0, 0 ], [ 0, -12.536603, 0 ], [ 0, 0, -3.0976849 ] ]

-31.049812

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.996889

pbe

true

7d807a0c24c780fe5bb843d578185f6d_123_Cu2Os1W1

[ "Dy", "Os", "Pm" ]

10

A3BC

Dy3OsPm

Pm2 Dy6 Os2

3

[ 1, 1, 1 ]

3

[ [ 3.50893872, 0, -1.03039705 ], [ -0.6834073, 9.2197873, -2.32729036 ], [ 0.70695141, -0.13872762, 8.89737848 ] ]

agm005804803

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[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Pm", "Pm", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Os", "Os" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 1.7294226, -0.02880381, -0.02643483 ], [ -0.02880375, 1.8748724, -0.09808879 ], [ -0.02643483, -0.09808901, 1.647163 ] ]

-59.044194

[ 0.01, 0.01, 0.015, 0.015, 0.014, 0.014, 0.138, 0.138, 0.007, 0.007 ]

[ [ 0.00052775, 0.01010928, 0.00179723 ], [ -0.00052775, -0.01010928, -0.00179723 ], [ -0.0001151, 0.00356819, -0.00039196 ], [ 0.0001151, -0.00356819, 0.00039196 ], [ -0.00168707, 0.01172824, -0.00574518 ], [ 0.00168707, -0.01172824, 0.00574518 ], [ -0.00073267, -0.00179948, -0.00249507 ], [ 0.00073267, 0.00179948, 0.00249507 ], [ 0.00028738, -0.01099489, 0.00097864 ], [ -0.00028738, 0.01099489, -0.00097864 ] ]

0.500722

12.042141

pbe

true

94374d58aa4d61d07c2a82378252fd98_12_Pm2Dy6Os2

[ "Er", "Ir", "Sb" ]

13

A8B3C2

Er8Ir3Sb2

Er8 Sb2 Ir3

3

[ 1, 1, 1 ]

3

[ [ 4.80667758, -0.00001177, 0.00001471 ], [ 0.00003385, 8.39257103, -4.82201401 ], [ -0.00002803, -0.48253376, 8.87290081 ] ]

agm005643119

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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]

[ "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Sb", "Sb", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.6153846153846154, 0.23076923076923078, 0.15384615384615385 ]

[ [ 0.81672126, -4.9e-7, 1e-8 ], [ -4.9e-7, 0.78166443, 0.09253155 ], [ 1e-8, 0.09253155, 0.88928854 ] ]

-81.452018

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -1e-8, 0.00260568, 0.00453385 ], [ 1e-8, -0.00260568, -0.00453385 ], [ 0, 0.00120544, 0.00209745 ], [ 0, -0.00120544, -0.00209745 ], [ 1e-8, 0.00008121, -0.00220598 ], [ 0, -0.00194708, -0.00104062 ], [ 0, 0.00194708, 0.00104062 ], [ -1e-8, -0.00008121, 0.00220598 ], [ 0, 0.00047079, 0.00081918 ], [ 0, -0.00047079, -0.00081918 ], [ 0, 0, 0 ], [ 2e-8, 0.00436621, -0.00250864 ], [ -2e-8, -0.00436621, 0.00250864 ] ]

-0.000018

5.669563

pbe

true

8d24773a97a7ff6507a88e3f4120d69a_10_Er8Sb2Ir3

[ "Br", "H", "K", "Sn" ]

12

A8B2CD

Br8H2KSn

K1 Sn1 H2 Br8

4

[ 1, 1, 1 ]

3

[ [ 6.5554973, -0.84876611, 0.08101415 ], [ -0.7282381, 8.0274173, 2.06620641 ], [ 0.01623844, 3.12700727, 9.03218634 ] ]

agm004907420

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]

[ "K", "Sn", "H", "H", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.08333333333333333, 0.08333333333333333 ]

[ [ 0.00525223, 0.02724066, 0.01392676 ], [ 0.02724086, -0.02403258, -0.01055182 ], [ 0.01392691, -0.01055174, -0.04885186 ] ]

-32.027096

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00191708, -0.00319304, 0.00320757 ], [ 0.00191708, 0.00319304, -0.00320757 ], [ -0.00132957, 0.00064227, -0.00169757 ], [ 0.00128099, 0.00230188, -0.00056658 ], [ 0.00208038, -0.00208234, -0.00212653 ], [ 0.00132957, -0.00064227, 0.00169757 ], [ -0.00128099, -0.00230188, 0.00056658 ], [ -0.00208038, 0.00208234, 0.00212653 ], [ -0.0005539, 0.00184075, -0.0014354 ], [ 0.0005539, -0.00184075, 0.0014354 ] ]

-0.00016

4.83582

pbe

true

d2d9132eee5b99ce183a525768ddb6aa_2_K1Sn1H2Br8

[ "Cr", "Mg", "Pb", "Pd" ]

5

A2BCD

CrMg2PbPd

Mg2 Cr1 Pd1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.04142932, 0, 0 ], [ 0, 5.0765409, 0 ], [ 0, 0, 5.04142932 ] ]

agm001544338

[ [ 0, 2.53827045, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.52071466 ], [ 2.52071466, 0, 0 ], [ 2.52071466, 2.53827045, 2.52071466 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Pb", "Cr", "Mg", "Mg", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 3.2308652, 0, 0 ], [ 0, 2.613259, 0 ], [ 0, 0, 3.2308652 ] ]

-17.95694

[ -0.061, 3.157, -0.005, 0.025, 0.121 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.493413

3.575072

pbe

true

232c73686d603256122823440e904a14_123_Mg2Cr1Pd1Pb1

[ "La", "Nd", "Tm" ]

20

A12B7C

La7Nd12Tm

La7 Nd12 Tm1

3

[ 1, 1, 1 ]

3

[ [ 10.34659634, -0.72600669, -1.08970472 ], [ -3.57436048, 9.73668778, -1.08970469 ], [ -3.57436044, -4.75580337, 8.56579709 ] ]

agm003703792

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "La", "La", "La", "La", "La", "La", "La", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Tm" ]

2023-11-16 06:57:59

[ 0.35, 0.6, 0.05 ]

[ [ 1.2063872, -0.01206691, -0.01811193 ], [ -0.01206692, 1.1994009, -0.0240985 ], [ -0.01811192, -0.02409851, 1.1792855 ] ]

-92.550528

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[ [ 0.00086058, -0.00002192, 0.00041503 ], [ 0.00026035, -0.00006697, -0.00091709 ], [ -0.00013672, -0.00093549, -0.00013962 ], [ 0, 0, 0 ], [ 0.00013672, 0.00093549, 0.00013962 ], [ -0.00026035, 0.00006697, 0.00091709 ], [ -0.00086058, 0.00002192, -0.00041503 ], [ 0.00245192, -0.00170895, 0.00278008 ], [ 0.00232334, -0.00184149, -0.00280576 ], [ -0.00093132, -0.00274892, 0.0009304 ], [ 0.00238154, -0.00149758, 0.00117262 ], [ -0.0024149, -0.00325164, 0.00050634 ], [ -0.00210073, 0.00036144, 0.00217849 ], [ 0.00210073, -0.00036144, -0.00217849 ], [ 0.0024149, 0.00325164, -0.00050634 ], [ -0.00238154, 0.00149758, -0.00117262 ], [ 0.00093132, 0.00274892, -0.0009304 ], [ -0.00232334, 0.00184149, 0.00280576 ], [ -0.00245192, 0.00170895, -0.00278008 ], [ 0, 0, 0 ] ]

-0.000013

28.95032

pbe

true

51fe414b5a33e3b26b202db82e106e71_166_La7Nd12Tm1

[ "La", "Pd", "Tl" ]

11

A7B2C2

La7Pd2Tl2

La7 Tl2 Pd2

3

[ 1, 1, 1 ]

3

[ [ 7.19175834, -0.00308412, -0.93533914 ], [ 0.00278732, 7.36908107, 0.00371355 ], [ -1.38159812, -0.00222997, 7.11951112 ] ]

agm003324861

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "La", "La", "La", "La", "La", "La", "La", "Tl", "Tl", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.6363636363636364, 0.18181818181818182, 0.18181818181818182 ]

[ [ 2.4838398, -0.0002835, 0.0158375 ], [ -0.0002835, 2.430955, 0.00020642 ], [ 0.0158375, 0.00020642, 2.4858177 ] ]

-53.287953

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 2e-8, 0.00004724, 2e-8 ], [ -2e-8, -0.00004724, -2e-8 ], [ -2e-8, -0.00004724, -2e-8 ], [ 2e-8, 0.00004724, 2e-8 ], [ 0, 0, 0 ], [ 7.2e-7, 0.00190018, 9.6e-7 ], [ -7.2e-7, -0.00190018, -9.6e-7 ], [ 0.00347156, -0.00000318, 0.00369503 ], [ -0.00347156, 0.00000318, -0.00369503 ], [ 0.00301757, -3e-7, -0.00283507 ], [ -0.00301757, 3e-7, 0.00283507 ] ]

-0.000003

13.725924

pbe

true

3a845383874a0f88f7fe097169466703_65_La7Tl2Pd2

[ "Mn", "Se", "Y" ]

4

A2BC

MnSe2Y

Y1 Mn1 Se2

3

[ 1, 1, 1 ]

3

[ [ 7.06758691, -0.00682688, -0.00415733 ], [ 5.99178524, 3.74824506, -0.00415733 ], [ 5.99178524, 1.71660429, 3.33206063 ] ]

agm004297895

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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Mn", "Se", "Se", "Y" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.9507721, 0.00553427, 0.00337018 ], [ 0.00553427, 0.9330403, 0.00096553 ], [ 0.00337018, 0.00096553, 0.9320428 ] ]

-26.947555

[ 4.093, 0.061, 0.058, -0.197 ]

[ [ 0.0018021, 0.00051629, 0.0003144 ], [ -0.00014771, -0.00004232, -0.00002577 ], [ -0.00165462, -0.00047404, -0.00028867 ], [ 2.3e-7, 7e-8, 4e-8 ] ]

4.054682

0.57891

pbe

true

0b44fb9caefc75ada29c9bb7b066949d_160_Y1Mn1Se2

[ "As", "Cl", "Te" ]

4

A2BC

AsClTe2

Te2 As1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.17563125, 0, 0 ], [ 0, 4.17563125, 0 ], [ 0, 0, 8.00115648 ] ]

agm004426687

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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]

[ "As", "Te", "Te", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -0.04035365, 0, 0 ], [ 0, -0.04035365, 0 ], [ 0, 0, -0.26477492 ] ]

-12.728968

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00250805 ], [ 0, 0, 0.00089403 ], [ 0, 0, 0.0040769 ], [ 0, 0, -0.00747898 ] ]

-0.000072

2.361711

pbe

true

8303cfe8556cc3f8f958c3d76c4ff9c2_99_Te2As1Cl1

[ "Li", "N", "Na", "Te" ]

5

A2BCD

LiNNaTe2

Na1 Li1 Te2 N1

4

[ 1, 1, 1 ]

3

[ [ 5.56505672, 0, 0 ], [ 0, 5.56505672, 0 ], [ 0, 0, 3.49200701 ] ]

agm001803318

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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Na", "Te", "Te", "Li", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.36902386, 0, 0 ], [ 0, 0.36902386, 0 ], [ 0, 0, 0.42998597 ] ]

-15.464253

[ 0.001, -0.039, -0.039, -0.004, 0.462 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.534206

2.87932

pbe

true

f7967d815a25e02a8960de1e74cf7124_123_Na1Li1Te2N1

[ "Au", "N", "Pt" ]

5

A3BC

AuN3Pt

Pt1 Au1 N3

3

[ 1, 1, 1 ]

3

[ [ 3.94591156, 0, 0 ], [ 0, 3.94591156, 0 ], [ 0, 0, 3.94591156 ] ]

agm002537206

[ [ 1.97295578, 1.97295578, 1.97295578 ], [ 0, 0, 0 ], [ 0, 1.97295578, 0 ], [ 0, 0, 1.97295578 ], [ 1.97295578, 0, 0 ] ]

[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Au", "Pt", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 35.042667, 0, 0 ], [ 0, 35.042667, 0 ], [ 0, 0, 35.042667 ] ]

-23.337465

[ 0, 0, -0.002, 0.002, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000014

6.7264

pbe

true

947472754096c97e1a49df8f8a19765a_221_Pt1Au1N3

[ "Nb", "Ni", "Pb" ]

5

A2B2C

Nb2Ni2Pb

Nb2 Ni2 Pb1

3

[ 1, 1, 1 ]

3

[ [ 2.98601963, 0, 0 ], [ 0, 4.18855627, 0.00098426 ], [ 0, -2.09409828, 6.60376251 ] ]

agm002348325

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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Pb", "Ni", "Ni", "Nb", "Nb" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ -4.116907, 0, 0 ], [ 0, -4.217742, 0.00430842 ], [ 0, 0.00430724, -4.2992992 ] ]

-35.423504

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, -0.00014369, -0.00352529 ], [ 0, 0.00014369, 0.00352529 ], [ 0, -0.00110005, -0.00375206 ], [ 0, 0.00110005, 0.00375206 ] ]

-0

3.621662

pbe

true

d43783cc49ba78b67fbf9e9eb7a7b31c_65_Nb2Ni2Pb1

[ "O", "Rh", "Sn" ]

5

A3BC

ORhSn3

Sn3 Rh1 O1

3

[ 1, 1, 1 ]

3

[ [ 4.66016291, 0, 0 ], [ 0, 4.66016291, 0 ], [ 0, 0, 4.66016291 ] ]

agm002559867

[ [ 2.330081455, 2.330081455, 2.330081455 ], [ 0, 2.330081455, 0 ], [ 0, 0, 2.330081455 ], [ 2.330081455, 0, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Rh", "Sn", "Sn", "Sn", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -0.51065576, 0, 0 ], [ 0, -0.51065576, 0 ], [ 0, 0, -0.51065576 ] ]

-24.670702

[ 0, -0.001, 0.001, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

4.446429

pbe

true

4e63542d26df9f5572d7d366718b5595_221_Sn3Rh1O1

[ "Al", "Te" ]

4

AB

AlTe

Al2 Te2

2

[ 1, 1, 1 ]

3

[ [ 7.20434639, -0.10697491, 0.42072944 ], [ 6.16143467, 3.7350734, 0.42072944 ], [ -0.26024689, -0.07064318, 4.10111423 ] ]

agm003808273

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[{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]

[ "Te", "Te", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ -0.02208482, 0.01392888, 0.1804606 ], [ 0.01392888, -0.06961737, 0.04898545 ], [ 0.1804614, 0.04898567, 0.08300146 ] ]

-14.268005

[ 0, 0, 0, 0 ]

[ [ 0.00357063, 0.00096924, 0.00188851 ], [ -0.00357063, -0.00096924, -0.00188851 ], [ 0.00236694, 0.0006425, 0.00310515 ], [ -0.00236694, -0.0006425, -0.00310515 ] ]

0.000007

2.353124

pbe

true

82d6fa4e2f990b6b6b18f86d8fd7f265_12_Al2Te2

[ "La", "Li", "Mg", "Tl" ]

6

A2B2CD

LaLi2MgTl2

Li2 La1 Mg1 Tl2

4

[ 1, 1, 1 ]

3

[ [ 4.87559959, 0, 0 ], [ -2.43779979, 4.2223931, 0 ], [ 0, 0, 7.07937243 ] ]

agm004745604

[ [ -2.1044664737523293e-8, 2.814928747407977, 2.29185479237091 ], [ 2.4377998210446647, 1.4074643525920227, 4.78751763762909 ], [ 0, 0, 0 ], [ 0, 0, 3.539686215 ], [ -2.1044664737523293e-8, 2.814928747407977, 5.2914615605653275 ], [ 2.4377998210446647, 1.4074643525920227, 1.7879108694346733 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Li", "Li", "La", "Mg", "Tl", "Tl" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]

[ [ 2.9150915, 0, 0 ], [ 0, 2.9150915, 0 ], [ 0, 0, 2.5008667 ] ]

-16.788029

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00283887 ], [ 0, 0, -0.00283887 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00046491 ], [ 0, 0, -0.00046491 ] ]

-0

2.933894

pbe

true

47727430b7421e72b42bedc811231412_164_Li2La1Mg1Tl2

[ "Pr", "S", "Se", "Y" ]

7

A2B2C2D

Pr2S2Se2Y

Pr2 Y1 Se2 S2

4

[ 1, 1, 1 ]

3

[ [ 5.07823518, 0, 0 ], [ 0, 5.07823518, 0 ], [ -2.53911759, -2.53911759, 7.55120995 ] ]

agm004541565

[ [ -0.0000025391175897458237, 0.0000025391175901769617, 5.674296005199501 ], [ 2.53912012911759, 2.53911505088241, 1.876913944800498 ], [ 0, 0, 0 ], [ 2.539117590171084e-8, 2.539117590171084e-8, 2.7970727497378074 ], [ 2.539117564608824, 2.539117564608824, 4.754137200262192 ], [ 0, 2.53911759, 0 ], [ 2.53911759, 0, 0 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Pr", "Pr", "Y", "Se", "Se", "S", "S" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.2857142857142857, 0.2857142857142857, 0.14285714285714285 ]

[ [ 0.3661555, 0, 0 ], [ 0, 0.3661555, 0 ], [ 0, 0, 0.3905231 ] ]

-42.789108

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00074247 ], [ 0, 0, -0.00074247 ], [ 0, 0, 0 ], [ 0, 0, 0.0017223 ], [ 0, 0, -0.0017223 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000021

2.787312

pbe

true

4acd1eb36a3c480c789069412689445d_139_Pr2Y1Se2S2

[ "Ag", "Cl" ]

24

AB

AgCl

Ag12 Cl12

2

[ 1, 1, 1 ]

3

[ [ 12.53828183, 0, 0 ], [ 4e-8, 7.41204256, 0 ], [ 0, 0, 18.52170446 ] ]

agm2000033322

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 1.2193514, 1e-8, 0 ], [ 1e-8, 1.2105447, 0 ], [ 0, 0, -0.16114436 ] ]

-65.866205

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00067092, 0.00078875, 0.00641863 ], [ -0.00067092, -0.00078875, -0.00641863 ], [ 0.00067092, -0.00078875, 0.00641863 ], [ 0.00067092, 0.00078875, -0.00641863 ], [ 0.00067092, -0.00078875, -0.00641863 ], [ 0.00067092, 0.00078875, 0.00641863 ], [ -0.00067092, 0.00078875, -0.00641863 ], [ -0.00067092, -0.00078875, 0.00641863 ], [ 0.00361809, 0, 0 ], [ -0.00361809, 0, 0 ], [ -0.00361809, 0, 0 ], [ 0.00361809, 0, 0 ], [ -0.00278644, 0.00205903, 0.00314023 ], [ -0.00278644, -0.00205903, -0.00314023 ], [ 0.00278644, -0.00205903, 0.00314023 ], [ 0.00278644, 0.00205903, -0.00314023 ], [ 0.00278644, -0.00205903, -0.00314023 ], [ 0.00278644, 0.00205903, 0.00314023 ], [ -0.00278644, 0.00205903, -0.00314023 ], [ -0.00278644, -0.00205903, 0.00314023 ], [ 0, 0, 0.00054581 ], [ 0, 0, -0.00054581 ], [ 0, 0, -0.00054581 ], [ 0, 0, 0.00054581 ] ]

0

pbe

true

5931beb1f88c26649603a52490ee3177_54_Ag12Cl12

[ "Cd", "Ru", "Y" ]

4

A2BC

Cd2RuY

Y1 Cd2 Ru1

3

[ 1, 1, 1 ]

3

[ [ 4.88719243, 0, 0 ], [ 2.44359621, 4.2324328, 0 ], [ 2.44359621, 1.41081093, 3.99037591 ] ]

agm003898809

[ [ 0, 0, 0 ], [ 2.4435962125, 1.4108109325, 0.9975939775 ], [ 4.887192425, 2.821621865, 1.995187955 ], [ 7.3307886375, 4.2324327975, 2.9927819325 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Cd", "Cd", "Ru", "Y" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.1164093, 0, 0 ], [ 0, 5.1164093, 0 ], [ 0, 0, 5.1164093 ] ]

-17.619852

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000036

3.332831

pbe

true

2c21063205f74e153a11eb43d6a00f28_216_Y1Cd2Ru1

[ "Ce", "S", "U" ]

12

A3B2C

Ce2S3U

Ce4 U2 S6

3

[ 1, 1, 1 ]

3

[ [ 6.76018161, -0.0227907, -1.13051813 ], [ -3.64396592, 5.69403591, -1.13053514 ], [ -0.00369306, -0.00669986, 6.90635421 ] ]

agm005649887

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Ce", "Ce", "Ce", "Ce", "U", "U", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.5, 0.16666666666666666 ]

[ [ 1.6147987, 0.03292876, 0.0022178 ], [ 0.03292876, 1.6566327, 0.0040366 ], [ 0.00221819, 0.00403729, 1.6715575 ] ]

-92.735826

[ 0.381, 0.5, 0.383, 0.383, 2.287, 2.287, -0.037, -0.037, -0.037, -0.037, -0.037, -0.037 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00105616, -0.00058033, 0 ], [ -0.00105616, 0.00058033, 0 ], [ -0.00396248, 0.00217729, -1e-8 ], [ 0.00396248, -0.00217729, 1e-8 ], [ -0.0009017, -0.00164102, -0.00231183 ], [ 0.0009017, 0.00164102, 0.00231183 ], [ 0.0018632, -0.00110812, -0.00163101 ], [ -0.00193438, 0.00097856, -0.00163102 ], [ 0.00193438, -0.00097856, 0.00163102 ], [ -0.0018632, 0.00110812, 0.00163101 ] ]

6.974793

28.929829

pbe

true

6005c6493ab3fa94f9da0ccaffef2393_12_Ce4U2S6

[ "Dy", "Pd", "Pt" ]

12

A6B5C

Dy6Pd5Pt

Dy6 Pd5 Pt1

3

[ 1, 1, 1 ]

3

[ [ 7.02023692, 0.20759884, 0 ], [ 2.17401044, 6.74942386, 0 ], [ 1.08700522, 3.37471193, 6.12424617 ] ]

agm003675537

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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Pd", "Pd", "Pd", "Pd", "Pd", "Pt" ]

2023-11-16 06:57:59

[ 0.5, 0.4166666666666667, 0.08333333333333333 ]

[ [ 2.5078778, -0.03762678, 0 ], [ -0.03762675, 2.452439, 0 ], [ 0, 0, 2.4204829 ] ]

-69.348968

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00048618, -0.00069431, -0.00224081 ], [ -0.00048618, 0.00069431, -0.00224081 ], [ -0.00109194, 0.00033949, 0 ], [ 0.00109194, -0.00033949, 0 ], [ 0.00048618, -0.00069431, 0.00224081 ], [ -0.00048618, 0.00069431, 0.00224081 ], [ 0, 0, -0.00443386 ], [ 0, 0, 0.0015819 ], [ 0, 0, 0 ], [ 0, 0, -0.0015819 ], [ 0, 0, 0.00443386 ], [ 0, 0, 0 ] ]

-0.000046

8.069902

pbe

true

13222104882b176c21f5138ea18778e0_12_Dy6Pd5Pt1

[ "Al", "N", "Ti" ]

7

A4B2C

Al2NTi4

Ti4 Al2 N1

3

[ 1, 1, 1 ]

3

[ [ 2.83624232, 0, 0 ], [ 0, 4.25820548, -1.61062698 ], [ 0, 1.25326459, 9.74764745 ] ]

agm006033657

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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Ti", "Ti", "Ti", "Ti", "Al", "Al", "N" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]

[ [ 0.32427186, 0, 0 ], [ 0, 0.11057064, 0.02375208 ], [ 0, 0.02375208, 0.1643822 ] ]

-50.125194

[ 0.01, 0.002, 0.01, 0.002, 0, 0, -0.001 ]

[ [ 0, 0.00145799, 0.00385465 ], [ 0, 0.00074233, 0.00196259 ], [ 0, -0.00145799, -0.00385465 ], [ 0, -0.00074233, -0.00196259 ], [ 0, 0.00017758, 0.00046949 ], [ 0, -0.00017758, -0.00046949 ], [ 0, 0, 0 ] ]

0.032698

7.130521

pbe

true

9d809c57a3cc6b2ba70068b6e59d7615_65_Ti4Al2N1

[ "Ca", "Cu", "S" ]

5

A2B2C

CaCu2S2

Ca1 Cu2 S2

3

[ 1, 1, 1 ]

3

[ [ 3.68371768, 0, 0 ], [ 0, 3.68371768, 0 ], [ -1.84185884, -1.84185884, 6.23809774 ] ]

agm002181443

[ [ 0, 0, 0 ], [ 1.8418588584185882, 1.8418588584185882, 1.5702741121685002 ], [ -1.841858856520002e-8, -1.841858856520002e-8, 4.6678236278315 ], [ 0, 1.8418588399999998, 3.11904887 ], [ 1.8418588399999998, 0, 3.11904887 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ca", "S", "S", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ -2.89354, 0, 0 ], [ 0, -2.89354, 0 ], [ 0, 0, -3.4416428 ] ]

-22.619495

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00422306 ], [ 0, 0, 0.00422306 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

pbe

true

0766775ff5d8745371feb78fdc2e8904_139_Ca1Cu2S2

[ "Co", "Er", "Ga" ]

18

A4B3C2

Co4Er2Ga3

Er4 Ga6 Co8

3

[ 1, 1, 1 ]

3

[ [ 5.35339386, 0, 0 ], [ 0, 6.89595647, 0 ], [ -2.67669693, 0, 7.42895589 ] ]

agm003335425

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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Er", "Er", "Er", "Er", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.4444444444444444, 0.2222222222222222, 0.3333333333333333 ]

[ [ 3.705191, 0, 0 ], [ 0, 3.3599284, 0 ], [ 0, 0, 3.3888206 ] ]

-100.288982

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00099388, -0.00652774 ], [ 0, 0.00099388, 0.00652774 ], [ 0, -0.00099388, 0.00652774 ], [ 0, 0.00099388, -0.00652774 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00191853 ], [ 0, 0, -0.00191853 ], [ 0, 0, -0.00191853 ], [ 0, 0, 0.00191853 ], [ 0, 0, -0.00190917 ], [ 0, 0, 0.00190917 ], [ 0, 0, 0.00190917 ], [ 0, 0, -0.00190917 ], [ 0, -0.00549574, -0.00117009 ], [ 0, 0.00549574, 0.00117009 ], [ 0, -0.00549574, 0.00117009 ], [ 0, 0.00549574, -0.00117009 ] ]

0.001295

16.162743

pbe

true

151d8acd4f514289cd8cae23461a7e00_64_Er4Ga6Co8

[ "Ge", "Sc", "Zn" ]

4

A2BC

GeScZn2

Sc1 Zn2 Ge1

3

[ 1, 1, 1 ]

3

[ [ 3.01861399, 0, 0 ], [ 1.509307, 2.6141964, 0 ], [ 1.509307, 0.8713988, 10.00628752 ] ]

agm001995078

[ [ 0, 0, 0 ], [ 3.018613995, 1.7427976, 5.00314376 ], [ 1.5093085234641572, 0.871399680112788, 7.196794155404544 ], [ 4.527919466535843, 2.614195519887212, 2.8094933645954563 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Sc", "Ge", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.9040616, 0, 0 ], [ 0, 3.9040616, 0 ], [ 0, 0, 3.9253297 ] ]

-12.289013

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01024689 ], [ 0, 0, 0.01024689 ] ]

-0.000127

2.940753

pbe

true

cdcf60382a652c987c8d44bd88545a16_166_Sc1Zn2Ge1

[ "Ag", "Dy", "Pm", "Tl" ]

4

ABCD

AgDyPmTl

Pm1 Dy1 Tl1 Ag1

4

[ 1, 1, 1 ]

3

[ [ 5.33136453, 0, 0 ], [ 2.66568226, 4.61709712, 0 ], [ 2.66568226, 1.53903237, 4.35304091 ] ]

agm001351930

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Tl", "Pm", "Ag", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.6729317, 0, 0 ], [ 0, 2.6729317, 0 ], [ 0, 0, 2.6729317 ] ]

-15.881395

[ -0.002, 0.088, 0.011, 0.109 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.323237

3.604904

pbe

true

ab53e1c1cf6d05f51dc374625437b222_216_Pm1Dy1Tl1Ag1

[ "As", "Ce", "Dy", "Rh" ]

10

A4B3C2D

As4Ce2DyRh3

Ce2 Dy1 As4 Rh3

4

[ 1, 1, 1 ]

3

[ [ 4.34097598, 0, 0 ], [ 0, 4.34097598, 0 ], [ 0, 0, 10.75962308 ] ]

agm004538081

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2023-11-16 06:57:59

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A3BC

Ga3TaTi

Ta4 Ti4 Ga12

3

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3

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2023-11-16 06:57:59

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84e6e0053dd816477ab05e04fd13bf58_64_Ta4Ti4Ga12

[ "Ge", "Ir", "Sm" ]

28

A4B2C

Ge4Ir2Sm

Sm4 Ge16 Ir8

3

[ 1, 1, 1 ]

3

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agm005946533

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2023-11-16 06:57:59

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0

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pbe

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[ "H", "O", "Re" ]

18

A5B3C

H3O5Re

Re2 H6 O10

3

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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12

A7B4C

AlLa4O7

La4 Al1 O7

3

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3

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[ "La", "La", "La", "La", "Al", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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1.004859

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true

c8f6e3b1995131166efa2018bb1e4039_12_La4Al1O7

[ "In", "La", "Ni" ]

10

A2B2C

InLa2Ni2

La4 In2 Ni4

3

[ 1, 1, 1 ]

3

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[ "Ni", "Ni", "Ni", "Ni", "In", "In", "La", "La", "La", "La" ]

2023-11-16 06:57:59

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e828a4054d1423ee38d4349c64f271f6_127_La4In2Ni4

[ "Dy", "Mg", "Pm" ]

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A6B3C

Dy3MgPm6

Pm12 Dy6 Mg2

3

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3

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2023-11-16 06:57:59

[ 0.3, 0.1, 0.6 ]

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-86.29219

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0.000438

29.630222

pbe

true

165d21ab08fce093987d81355d8796cd_2_Pm12Dy6Mg2

[ "Au", "Pd", "Pu" ]

32

A2BC

Au2PdPu

Pu8 Pd8 Au16

3

[ 1, 1, 1 ]

3

[ [ 5.41404156, 0, 0 ], [ 0, 7.83046525, 0 ], [ 0, 0, 15.70755522 ] ]

agm005619634

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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Pu", "Pu", "Pu", "Pu", "Pu", "Pu", "Pu", "Pu", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 7.701084, 0, 0 ], [ 0, 7.7832303, 0 ], [ 0, 0, 7.6931624 ] ]

-221.923865

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43.578094

129.70398

pbe

true

251c0385151b29ac87e9f03da02ea0de_62_Pu8Pd8Au16

[ "C", "La", "Mg", "Zn" ]

5

A2BCD

CLa2MgZn

La2 Mg1 Zn1 C1

4

[ 1, 1, 1 ]

3

[ [ 5.2927191, 0, 0 ], [ 0, 5.2927191, 0 ], [ 0, 0, 4.3218225 ] ]

agm001630147

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "C", "Zn", "Mg", "La", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.2206456, 0, 0 ], [ 0, 0.2206456, 0 ], [ 0, 0, -0.04029955 ] ]

-22.320962

[ 0, 0, 0, 0, 0 ]

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0

3.525638

pbe

true

81c194724070808b3e97857ccdeb997f_123_La2Mg1Zn1C1

[ "Li", "Se", "Sr" ]

4

A2BC

LiSe2Sr

Sr1 Li1 Se2

3

[ 1, 1, 1 ]

3

[ [ 7.21853541, 0.65941005, 0.10387354 ], [ 4.58954448, 5.61053946, -0.10387402 ], [ -5.85036717, -3.23605149, 2.80250388 ] ]

agm004083655

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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Li", "Se", "Se", "Sr" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.24857578, 0.02238838, -0.02691637 ], [ 0.02238838, 0.2183002, 0.05069139 ], [ -0.02691637, 0.05069139, 0.2068455 ] ]

-15.151166

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-0

3.719635

pbe

true

926baf87668cc9d76a7f0c3b5eb1fb11_44_Sr1Li1Se2

[ "Lu", "Sn", "Zr" ]

4

A2BC

LuSn2Zr

Lu1 Zr1 Sn2

3

[ 1, 1, 1 ]

3

[ [ 3.36740056, 0, 0 ], [ 1.68370028, 2.91625443, 0 ], [ 1.68370028, 0.97208481, 9.9712128 ] ]

agm001941474

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Lu", "Sn", "Sn", "Zr" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.0423827, 0, 0 ], [ 0, 5.0423827, 0 ], [ 0, 0, -0.05800666 ] ]

-22.448533

[ 0, 0, 0, 0 ]

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-0.000136

2.6911

pbe

true

90401ec9b14e19a5e980d384d88691f8_166_Lu1Zr1Sn2

[ "Ca", "Cr", "Tc" ]

5

A3BC

Ca3CrTc

Ca3 Cr1 Tc1

3

[ 1, 1, 1 ]

3

[ [ 5.44955105, 0, 0 ], [ 0, 5.44955105, 0 ], [ 0, 0, 5.44955105 ] ]

agm002437708

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "Cr", "Ca", "Ca", "Ca", "Tc" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 1.6358811, 0, 0 ], [ 0, 1.6358811, 0 ], [ 0, 0, 1.6358811 ] ]

-21.552732

[ -4.18, -0.017, 0.007, -0.024, -1.135 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-6.289902

3.363621

pbe

true

0589db414b5613c88c61d7b86b3d3d0a_221_Ca3Cr1Tc1

[ "Ac", "As", "Ge", "O" ]

12

A8B2CD

AcAsGe2O8

Ac1 Ge2 As1 O8

4

[ 1, 1, 1 ]

3

[ [ 4.80634908, 0, 0 ], [ 2.40317454, 4.1624204, 0 ], [ 2.40317454, 1.38747347, 7.63810396 ] ]

agm004886237

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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]

[ "Ac", "Ge", "Ge", "As", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.08333333333333333, 0.16666666666666666, 0.6666666666666666 ]

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-77.664581

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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0

-0.00008

pbe

true

5b8554714a22c6a9666b7c965cf64042_155_Ac1Ge2As1O8

[ "Ce", "O", "Se" ]

100

A14B10C

Ce10OSe14

Ce40 O4 Se56

3

[ 1, 1, 1 ]

3

[ [ -7.85991538, -7.85991538, 10.37572208 ], [ -7.85991538, 7.85991538, -10.37572208 ], [ 7.85991538, -7.85991538, -10.37572208 ] ]

mp-1198305

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "O", "O", "O", "O" ]

2019-01-12 03:06:53

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-645.667627

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35.109

6.43224

pbe

true

758fe0566275e4272527433daab77ce5_142_Ce40Se56O4

[ "Na", "Re", "S", "Te" ]

5

A2BCD

NaRe2STe

Na1 Re2 Te1 S1

4

[ 1, 1, 1 ]

3

[ [ 4.37648509, 0, 0 ], [ 0, 5.80777108, 0 ], [ 0, 0, 4.37648509 ] ]

agm001481171

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[ "Re", "Re", "S", "Te", "Na" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

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-27.949128

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0.446592

5.327598

pbe

true

29114cd38375b4dcf7e76b00718605e7_123_Na1Re2Te1S1

[ "C", "Cs", "Mo", "P", "Si" ]

5

ABCDE

CCsMoPSi

Cs1 Si1 Mo1 P1 C1

5

[ 1, 1, 1 ]

3

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agm002049905

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[ "Cs", "P", "Mo", "C", "Si" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.2, 0.2 ]

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-30.663869

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0.000007

2.236713

pbe

true

1525c637922527851047fccc292ecfad_1_Cs1Si1Mo1P1C1

[ "Cd", "Cu", "Lu", "Y" ]

4

ABCD

CdCuLuY

Y1 Lu1 Cd1 Cu1

4

[ 1, 1, 1 ]

3

[ [ 5.07513228, 0, 0 ], [ 2.53756614, 4.39519348, 0 ], [ 2.53756614, 1.46506449, 4.14382815 ] ]

agm001315408

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Lu", "Cu", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -0.8327393, 0, 0 ], [ 0, -0.8327393, 0 ], [ 0, 0, -0.8327393 ] ]

-16.960289

[ 0, 0, 0, 0 ]

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-0.000169

4.358861

pbe

true

c9a3fd6330148f9abad951290abb9027_216_Y1Lu1Cd1Cu1

[ "B", "Cu", "Ni", "Tb" ]

18

A12B3C2D

B3CuNi12Tb2

Tb2 Cu1 Ni12 B3

4

[ 1, 1, 1 ]

3

[ [ 6.73561426, -0.17821731, -0.12640782 ], [ 3.17143106, 5.94493784, -0.12640782 ], [ 3.17143106, 1.84603542, 5.65247009 ] ]

agm004499461

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Tb", "Tb", "Cu", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "B", "B", "B" ]

2023-11-16 06:57:59

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Tl2 Zn2 F6

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2023-11-16 06:57:59

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Li5 Mg3 In4

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2023-11-16 06:57:59

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Pt9TlY2

Y2 Tl1 Pt9

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2023-11-16 06:57:59

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Al4IrNdRh2

Nd1 Al4 Ir1 Rh2

4

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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Er3 Ge4 Pd2

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[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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Cd1 Mo2

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[ "Cd", "Mo", "Mo" ]

2023-11-16 06:57:59

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In2 Tb1

2

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[ "In", "In", "In", "In", "Tb", "Tb" ]

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A5B4C2

Er5Th4Tm2

Er5 Tm2 Th4

3

[ 1, 1, 1 ]

3

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[ "Er", "Er", "Er", "Er", "Er", "Tm", "Tm", "Th", "Th", "Th", "Th" ]

2023-11-16 06:57:59

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AsAuHIrOs

As1 H1 Ir1 Os1 Au1

5

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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Al2LaSm4

La2 Sm8 Al4

3

[ 1, 1, 1 ]

3

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agm003449477

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "La", "La", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Al", "Al", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]

[ [ 0.75756377, 0, -0.0084876 ], [ 0, 0.8021184, 0 ], [ -0.00848749, 0, 0.7099252 ] ]

-63.973068

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-0.000024

15.526814

pbe

true

005334784701de543389a0395926133d_11_La2Sm8Al4

[ "Ba", "Cs", "Sr" ]

20

A15B4C

Ba4CsSr15

Cs1 Ba4 Sr15

3

[ 1, 1, 1 ]

3

[ [ 6.15732686, 0, 0 ], [ 0, 6.15732686, 0 ], [ 0, 0, 30.71770769 ] ]

agm006042942

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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Ba", "Ba", "Ba", "Ba", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr" ]

2023-11-16 06:57:59

[ 0.2, 0.05, 0.75 ]

[ [ 0.8958838, 0, 0 ], [ 0, 0.8958838, 0 ], [ 0, 0, 0.8997665 ] ]

-33.090905

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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-0.0001

19.659801

pbe

true

43d940b4afd06defd38ecfb96586fe66_123_Cs1Ba4Sr15

[ "Be", "Pb", "Sc" ]

3

ABC

BePbSc

Sc1 Be1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 4.16936244, 0, 0 ], [ -2.08468122, 3.61077379, 0 ], [ 0, 0, 3.93917272 ] ]

agm004037705

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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Pb", "Sc", "Be" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.5489747, 0, 0 ], [ 0, 0.5489747, 0 ], [ 0, 0, 1.0745978 ] ]

-13.898178

[ 0, 0, 0 ]

[ [ 0, 0, -0.00298388 ], [ 0, 0, 0.00349024 ], [ 0, 0, -0.00050636 ] ]

-0.000009

1.412445

pbe

true

0cbbd3a4e5c2df51fe552c2556162f65_156_Sc1Be1Pb1

[ "Bi", "Ge", "Rb" ]

10

A2B2C

BiGe2Rb2

Rb4 Ge4 Bi2

3

[ 1, 1, 1 ]

3

[ [ 7.75053763, 0, 0 ], [ 0, 7.75053763, 0 ], [ 0, 0, 5.77772004 ] ]

agm002980238

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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Ge", "Ge", "Ge", "Ge", "Bi", "Bi", "Rb", "Rb", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 0.6179057, 0, 0 ], [ 0, 0.6179057, 0 ], [ 0, 0, 0.9869301 ] ]

-30.90705

[ 0.001, -0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00037352, 0.00037352, 0 ], [ 0.00037352, -0.00037352, 0 ], [ -0.00037352, -0.00037352, 0 ], [ -0.00037352, 0.00037352, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00253495, -0.00253495, 0 ], [ -0.00253495, 0.00253495, 0 ], [ 0.00253495, 0.00253495, 0 ], [ 0.00253495, -0.00253495, 0 ] ]

-0

3.730341

pbe

true

7e1c1dd9409d964617580dbe4619d695_127_Rb4Ge4Bi2

[ "Ce", "Dy", "Tb" ]

30

A12B2C

CeDy2Tb12

Tb24 Ce2 Dy4

3

[ 1, 1, 1 ]

3

[ [ 6.46669486, 1.47032643, -0.38569016 ], [ 1.4703265, 6.46669571, 0.38568946 ], [ -1.88392568, 1.88392325, 24.65964293 ] ]

agm005810277

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}]

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Ce", "Ce", "Dy", "Dy", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.06666666666666667, 0.13333333333333333, 0.8 ]

[ [ 0.3514417, 0.03065743, -0.00145378 ], [ 0.03065743, 0.3514418, 0.00145371 ], [ -0.00145381, 0.00145374, 0.38042584 ] ]

-137.800995

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1.392024

50.11029

pbe

true

a44dad805d745186465bbfa018dfb0f3_12_Tb24Ce2Dy4

[ "K", "Mo", "Se" ]

4

A2BC

K2MoSe

K2 Mo1 Se1

3

[ 1, 1, 1 ]

3

[ [ 4.75154831, 0, 0 ], [ 0, 4.75154831, 0 ], [ 0, 0, 5.11791684 ] ]

agm004303051

[ [ 0, 0, 0 ], [ 2.375774155, 2.375774155, 0 ], [ 2.375774155, 0, 2.55895842 ], [ 0, 2.375774155, 2.55895842 ] ]

[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "K", "K", "Mo", "Se" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.8197522, 0, 0 ], [ 0, 1.8197522, 0 ], [ 0, 0, 1.8547685 ] ]

-14.142597

[ 0.012, 0.012, 3.514, -0.043 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.364576

1.273637

pbe

true

7bc0b284404af6caea899650ebbf29a6_123_K2Mo1Se1

[ "Pr", "Te", "U" ]

20

A3BC

PrTe3U

Pr4 U4 Te12

3

[ 1, 1, 1 ]

3

[ [ 4.41270813, 0, 0 ], [ 0, 8.33780374, 0 ], [ 0, 0.00000101, 17.49453317 ] ]

agm005861626

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[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Pr", "Pr", "Pr", "Pr", "U", "U", "U", "U", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 1.2472146, 0, 0 ], [ 0, 1.3580713, 8e-8 ], [ 0, 8e-8, 1.3421651 ] ]

-122.557459

[ 0.038, 0.038, 0.038, 0.038, 2.662, 2.662, 2.662, 2.662, -0.047, -0.022, -0.06, -0.06, -0.047, -0.06, -0.047, -0.022, -0.022, -0.022, -0.047, -0.06 ]

[ [ 0, -0.00231512, -0.00365373 ], [ 0, 0.00231512, 0.00365373 ], [ 0, -0.00231512, 0.00365373 ], [ 0, 0.00231512, -0.00365373 ], [ 0, -0.00124887, 0.00189296 ], [ 0, -0.00124887, -0.00189296 ], [ 0, 0.00124887, 0.00189296 ], [ 0, 0.00124887, -0.00189296 ], [ 0, 0.00382036, 0.00093018 ], [ 0, -0.0006883, 0.00134674 ], [ 0, -0.00130292, 0.00101264 ], [ 0, -0.00130292, -0.00101264 ], [ 0, -0.00382036, -0.00093018 ], [ 0, 0.00130292, 0.00101264 ], [ 0, 0.00382036, -0.00093018 ], [ 0, -0.0006883, -0.00134674 ], [ 0, 0.0006883, 0.00134674 ], [ 0, 0.0006883, -0.00134674 ], [ 0, -0.00382036, 0.00093018 ], [ 0, 0.00130292, -0.00101264 ] ]

11.561896

25.717527

pbe

true

822d547b9b880f9aa7ffeb9b0c42e657_62_Pr4U4Te12

[ "Ag", "Cd", "Sc" ]

4

A2BC

AgCd2Sc

Sc1 Cd2 Ag1

3

[ 1, 1, 1 ]

3

[ [ 5.55698283, -0.08217067, 0.60209142 ], [ 4.3934505, 3.40358677, 0.60209142 ], [ 1.72228194, 0.57489104, 4.56360483 ] ]

agm003813572

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Ag", "Cd", "Cd", "Sc" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 6.7004614, 0.08753744, -0.19637942 ], [ 0.08753744, 6.467433, -0.06555069 ], [ -0.19637965, -0.06555076, 6.638316 ] ]

-11.563549

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.00604192, -0.00201677, 0.0007797 ], [ 0.00604192, 0.00201677, -0.0007797 ], [ 0, 0, 0 ] ]

0

1.609832

pbe

true

f12073a751fd2e2249d7ee6cdafdcd0c_12_Sc1Cd2Ag1

[ "Hf", "Nb", "O" ]

4

A2BC

Hf2NbO

Hf2 Nb1 O1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.26428747, 3.26428747 ], [ 3.26428747, 0, 3.26428747 ], [ 3.26428747, 3.26428747, 0 ] ]

agm002718912

[ [ 3.26428747, 3.26428747, 3.26428747 ], [ 1.632143735, 1.632143735, 1.632143735 ], [ 4.896431205000001, 4.896431205000001, 4.896431205000001 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Nb", "Hf", "Hf", "O" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.4185016, 0, 0 ], [ 0, 1.4185016, 0 ], [ 0, 0, 1.4185016 ] ]

-34.167219

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.786158

pbe

true

aa587684878e3b2edb7b7818f4a673f7_225_Hf2Nb1O1

[ "Ce", "Pb", "Sn" ]

4

A2BC

Ce2PbSn

Ce2 Sn1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 3.54600102, 0, 0 ], [ 0, 3.54600102, 0 ], [ 0, 0, 9.09481934 ] ]

agm001128434

[ [ 1.77300051, 1.77300051, 4.54740967 ], [ 1.77300051, 1.77300051, 0 ], [ 0, 0, 6.8927304775663165 ], [ 0, 0, 2.2020888624336843 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}]

[ "Pb", "Sn", "Ce", "Ce" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.3305855, 0, 0 ], [ 0, 3.3305855, 0 ], [ 0, 0, 2.9910605 ] ]

-21.552747

[ -0.02, -0.027, 0.878, 0.878 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00012555 ], [ 0, 0, 0.00012555 ] ]

2.259023

13.409064

pbe

true

284ca48d09544c6fa2543f409de4704b_123_Ce2Sn1Pb1

[ "Co", "Mn", "W" ]

4

A2BC

Co2MnW

Mn1 Co2 W1

3

[ 1, 1, 1 ]

3

[ [ 4.43396924, 0.00407634, 0 ], [ -1.47433479, 4.1816787, 0 ], [ 0, 0, 2.61470857 ] ]

agm004092792

[ [ 0, 0, 0 ], [ 1.479817225, 2.09287752, 0 ], [ 2.21698462, 0.00203817, 1.307354285 ], [ -0.737167395, 2.09083935, 1.307354285 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}]

[ "Co", "Co", "Mn", "W" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.3315754, 0.14344192, 0 ], [ 0.14344192, 5.4330187, 0 ], [ 0, 0, 4.9280367 ] ]

-35.991875

[ -0.074, -0.074, 1.757, -0.168 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.4486

3.703011

pbe

true

d6af30b7fc28037d319bf210bb289dd0_65_Mn1Co2W1

[ "Eu", "N", "Ti" ]

4

A2BC

EuNTi2

Eu1 Ti2 N1

3

[ 1, 1, 1 ]

3

[ [ 3.11448811, 0, 0 ], [ 1.55724406, 2.69722583, 0 ], [ 1.55724406, 0.89907527, 8.39090466 ] ]

agm001995991

[ [ 0, 0, 0 ], [ 3.1144881150000003, 1.79815055, 4.19545233 ], [ 1.557245600432865, 0.8990761625620258, 5.272632198456102 ], [ 4.671730629567135, 2.697224937437974, 3.118272461543898 ] ]

[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "N", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.46391457, 0, 0 ], [ 0, 0.46391457, 0 ], [ 0, 0, 0.26873285 ] ]

-36.803271

[ 7.203, 0.008, -0.028, -0.028 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.002616 ], [ 0, 0, 0.002616 ] ]

7.49162

4.041382

pbe

true

d5388824cc6eae888c716bef29c9009c_166_Eu1Ti2N1

[ "Ag", "Co", "Sc" ]

4

A2BC

Ag2CoSc

Sc1 Co1 Ag2

3

[ 1, 1, 1 ]

3

[ [ 9.4484862, -0.00664843, -0.00390102 ], [ 8.99557771, 2.89024522, -0.00390102 ], [ 8.99557771, 1.4063939, 2.52499284 ] ]

agm004350596

[ [ 27.281435896672146, 4.265256362577643, 2.502677709895428 ], [ 13.878026533327855, 2.169729672422357, 1.273108490104572 ], [ 6.859910404999999, 1.0724976725000002, 0.6292977 ], [ 20.579731215, 3.2174930175000003, 1.8878930999999999 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Ag", "Ag", "Co", "Sc" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 6.323886, 0.0088067, 0.00516741 ], [ 0.0088067, 6.268934, 0.00080789 ], [ 0.00516741, 0.00080789, 6.2680306 ] ]

-17.869391

[ 0.004, 0.004, 1.866, 0.005 ]

[ [ 0.00278639, 0.00043563, 0.00025561 ], [ -0.00278639, -0.00043563, -0.00025561 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.793276

4.251425

pbe

true

10031545ac2a4bdc25329e6d4fa57dee_166_Sc1Co1Ag2

[ "As", "Y", "Zr" ]

4

A2BC

As2YZr

Y1 Zr1 As2

3

[ 1, 1, 1 ]

3

[ [ 5.08747776, -0.00155307, 0.00315974 ], [ 0.37211325, 5.073851, -0.00315974 ], [ -2.11436308, -3.19856763, 3.34381162 ] ]

agm004057423

[ [ 2.8514550925, -0.3319858674999998, 1.67348568 ], [ 0.0411447335572923, 0.0382260038290039, 2.4079399262300067e-22 ], [ 2.6886507714427075, 2.4979229611709965, 7.758042769635543e-20 ], [ 0.4937728374999999, 2.2057161675000003, 1.67032594 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "As", "As", "Zr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.737594, 0.04325437, 0.13771327 ], [ 0.04325437, 1.7312225, -0.14822602 ], [ 0.13771327, -0.14822602, 1.5820156 ] ]

-28.024333

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0.00451403, 0.00419381, 0 ], [ -0.00451403, -0.00419381, 0 ], [ 0, 0, 0 ] ]

0

2.601917

pbe

true

2c6ca3640d041b598b38869292dbc95b_71_Y1Zr1As2

[ "Au", "Cd", "Cs" ]

4

A2BC

AuCdCs2

Cs2 Cd1 Au1

3

[ 1, 1, 1 ]

3

[ [ 4.46491225, 0, 0 ], [ 0, 4.46491225, 0 ], [ 0, 0, 9.35011112 ] ]

agm001125328

[ [ 0, 0, 7.28590270272317 ], [ 0, 0, 2.0642084172768294 ], [ 2.232456125, 2.232456125, 0 ], [ 2.232456125, 2.232456125, 4.67505556 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Au", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4769092, 0, 0 ], [ 0, 1.4769092, 0 ], [ 0, 0, 1.5009516 ] ]

-6.488658

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00074442 ], [ 0, 0, 0.00074442 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000066

2.570305

pbe

true

9a2431bea6ed5cab5ef2dd74eecbb9e4_123_Cs2Cd1Au1

[ "Cs", "N", "O", "Pb" ]

5

A2BCD

CsN2OPb

Cs1 Pb1 N2 O1

4

[ 1, 1, 1 ]

3

[ [ 4.422043, 0, 0 ], [ 0, 4.422043, 0 ], [ 0, 0, 4.50314977 ] ]

agm001726048

[ [ 2.2110215, 2.2110215, 2.251574885 ], [ 0, 0, 0 ], [ 0, 0, 2.251574885 ], [ 0, 2.2110215, 0 ], [ 2.2110215, 0, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Pb", "Cs", "O", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.504914, 0, 0 ], [ 0, 0.504914, 0 ], [ 0, 0, 0.33498007 ] ]

-17.111255

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000001

2.392909

pbe

true

d0583aec5bed6a3eaf61305902b66ce2_123_Cs1Pb1N2O1

[ "F", "Rb", "Si" ]

4

A2BC

FRbSi2

Rb1 Si2 F1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.586966, 3.586966 ], [ 3.586966, 0, 3.586966 ], [ 3.586966, 3.586966, 0 ] ]

agm002669886

[ [ 1.793483, 1.793483, 1.793483 ], [ 5.380449, 5.380449, 5.380449 ], [ 3.586966, 3.586966, 3.586966 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Si", "Si", "Rb", "F" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.1748388, 0, 0 ], [ 0, 1.1748388, 0 ], [ 0, 0, 1.1748388 ] ]

-10.877846

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.847635

pbe

true

eabf659ea2eadafc75d1927c96e3604e_225_Rb1Si2F1

[ "Ga", "Rh", "Th", "Y" ]

4

ABCD

GaRhThY

Y1 Th1 Ga1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 5.07309807, 0, 0 ], [ 2.53654903, 4.3934318, 0 ], [ 2.53654903, 1.46447727, 4.14216723 ] ]

agm001318198

[ [ 7.6096470975, 4.3934318025, 3.1066254225 ], [ 5.073098065, 2.928954535, 2.071083615 ], [ 0, 0, 0 ], [ 2.5365490325, 1.4644772675, 1.0355418075 ] ]

[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Rh", "Ga", "Th" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.430954, 0, 0 ], [ 0, 3.430954, 0 ], [ 0, 0, 3.430954 ] ]

-26.548758

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

2.60243

pbe

true

6d24bab8f43ff27a58cc82f9e2b5b1b4_216_Y1Th1Ga1Rh1

[ "Br" ]

4

A

Br

Br4

1

[ 1, 1, 1 ]

3

[ [ 6.32679444, 0.23342518, 0 ], [ 0.28580311, 7.04255216, 0 ], [ 0, 0, 14.9880701 ] ]

agm2000000063

[ [ 6.067476285672611, 4.489898151382591, 3.8793966565442304 ], [ 0.9785392106717213, 6.312928674634516, 3.3074381125037378 ], [ 2.761395758582301, 0.8509875505764655, 3.878940569571087 ], [ 3.99989785540051, 2.9083660128590787, 3.306495962417252 ] ]

[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]

[ "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 1 ]

[ [ -0.02750234, -0.07910033, 0.01274454 ], [ -0.07910032, -0.05165128, 0.01161417 ], [ 0.01274453, 0.01161413, -0.01655015 ] ]

-6.423089

[ 0, 0, 0, 0 ]

[ [ 0.00322871, 0.00085319, -0.00218271 ], [ -0.00330331, -0.00077833, 0.00218646 ], [ 0.0069568, 0.00720076, -0.00418799 ], [ -0.00688221, -0.00727563, 0.00418424 ] ]

0

0.412574

pbe

true

71d73ea835982809720cfa225841aa74_2_Br4

[ "Ge", "Ru", "Yb" ]

10

A2B2C

Ge2RuYb2

Ge2 Ru1 Yb2

3

[ 1, 1, 1 ]

3

[ [ 5.368771018, -2.178061297, 0 ], [ 5.368771018, 2.178061297, 0 ], [ -5.177022817, 0, 9.077217512 ] ]

oqmd-5869785

[ [ 6.66187, 3.137359455431035e-17, 0.62793 ], [ 3.4473900000000004, 8.45227707162667e-17, 3.4142199999999994 ], [ 2.1131300000000004, 3.1216817884304524e-16, 5.663 ], [ -1.1013499999999996, 2.6417944012868687e-16, 8.44929 ], [ 2.33015, -1.2428160870583614e-17, 1.1248200000000002 ], [ 3.23037, 1.8707450550486423e-16, 7.952399999999999 ], [ -0.85411, 2.849596362842541e-17, 1.56728 ], [ 6.69568, 1.1118955913541221e-17, 3.5822499999999997 ], [ -1.13516, 1.1790062507568252e-16, 5.49497 ], [ 6.41462, -1.1599268066357495e-16, 7.50994 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}]

[ "Ge", "Ge", "Ge", "Ge", "Ru", "Ru", "Yb", "Yb", "Yb", "Yb" ]

2024-11-01 00:00:00

[ 0.4, 0.2, 0.4 ]

[ [ 4.3785835, 0, -0.60104958 ], [ 0, 4.74440085, 0 ], [ -0.60104958, 0, 3.12295376 ] ]

-49.4492

[ 0, 0, 0, 0, 0, 0, 0, 0.001, 0.001, 0 ]

[ [ 0.007076, 0, -0.001435 ], [ -0.015792, 0, -0.024681 ], [ 0.015792, 0, 0.024681 ], [ -0.007076, 0, 0.001435 ], [ -0.022703, 0, 0.006129 ], [ 0.022703, 0, -0.006129 ], [ 0.013986, 0, 0.021657 ], [ 0.006634, 0, 0.025114 ], [ -0.006634, 0, -0.025114 ], [ -0.013986, 0, -0.021657 ] ]

0.008737

null

pbe

false

89ec3439c54a86af9d421063f32a43d3_12_Yb4Ge4Ru2

[ "H", "Mg", "Ni" ]

16

A4B3C

H4MgNi3

Mg2 Ni6 H8

3

[ 1, 1, 1 ]

3

[ [ 4.62981756, 0, 0 ], [ 0, 4.89981406, 0 ], [ 0, 0, 5.54499329 ] ]

agm006048728

[ [ 4.596620008764127, 0.7544633733381175, 0 ], [ 2.2817112287641272, 4.1453506866618826, 2.772496645 ], [ 2.367089601791736, 4.029476600895582, 0 ], [ 0.0405779434082688, 3.2399746572144044, 1.368977886398966 ], [ 2.355486723408269, 1.6598394027855954, 1.403518758601034 ], [ 0.052180821791736005, 0.8703374591044178, 2.772496645 ], [ 2.355486723408269, 1.6598394027855954, 4.141474531398966 ], [ 0.0405779434082688, 3.2399746572144044, 4.176015403601034 ], [ 0.7524575339794788, 3.760892019245026, 0 ], [ 2.3623184821998047, 0.7706122785133468, 0 ], [ 0.7427905675105501, 1.7734402198187584, 1.5874879952797405 ], [ 3.05769934751055, 3.126373840181241, 1.1850086497202594 ], [ 0.0474097021998048, 4.129201781486652, 2.772496645 ], [ 3.067366313979479, 1.1389220407549734, 2.772496645 ], [ 3.05769934751055, 3.126373840181241, 4.35998464027974 ], [ 0.7427905675105501, 1.7734402198187584, 3.957505294720259 ] ]

[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Mg", "Mg", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "H", "H", "H", "H", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.375 ]

[ [ -6.029679, 0, 0 ], [ 0, -6.556609, 0 ], [ 0, 0, -6.165131 ] ]

-66.970706

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00032022, -0.00581226, 0 ], [ 0.00032022, 0.00581226, 0 ], [ -0.0009136, -0.00870153, 0 ], [ -0.00028037, 0.00498605, 0.00545827 ], [ -0.00028037, -0.00498605, -0.00545827 ], [ -0.0009136, 0.00870153, 0 ], [ -0.00028037, -0.00498605, 0.00545827 ], [ -0.00028037, 0.00498605, -0.00545827 ], [ -0.00154448, -0.00079503, 0 ], [ -0.00212716, -0.00160986, 0 ], [ 0.00241288, -0.00202123, -0.00213496 ], [ 0.00241288, 0.00202123, 0.00213496 ], [ -0.00212716, 0.00160986, 0 ], [ -0.00154448, 0.00079503, 0 ], [ 0.00241288, 0.00202123, -0.00213496 ], [ 0.00241288, -0.00202123, 0.00213496 ] ]

0.000004

6.253315

pbe

true

c177281f13852272ce351599d7fda4e4_31_Mg2Ni6H8

[ "In", "Rh", "Sr" ]

12

A3B2C

InRh3Sr2

Sr4 In2 Rh6

3

[ 1, 1, 1 ]

3

[ [ 5.78402564, -1e-8, 0 ], [ -2.89201233, 5.00911439, 0 ], [ 0, 0, 8.75537497 ] ]

agm005686598

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2023-11-16 06:57:59

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Cs3Na9Rb2

Cs3 Rb2 Na9

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2023-11-16 06:57:59

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A2B2C

NiPb2Y2

Y4 Ni2 Pb4

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2023-11-16 06:57:59

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e588741cab1704fa12612bdeab8a7337_127_Y4Ni2Pb4

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A6B2C

Pd2Tm6Zn

Tm12 Zn2 Pd4

3

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3

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2023-11-16 06:57:59

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[ "Hg", "O" ]

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AB

HgO

Hg2 O2

2

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agm1000009830

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[ "Hg", "Hg", "O", "O" ]

2023-11-16 06:57:59

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[ "Ca", "Cl", "Mn", "O", "Te" ]

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A10B4C2D2E

Ca2Cl2MnO10Te4

Ca2 Cl2 Mn1 O10 Te4

5

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3

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[ "Ca", "Ca", "Cl", "Cl", "Mn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

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[ "Cr", "Cu", "Li", "O", "Ti" ]

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A16B4C3D3E2

Cr3Cu2Li4O16Ti3

Li4 Ti3 Cr3 Cu2 O16

5

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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