LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Ag", "Ni", "Rh" ]

4

A2BC

AgNiRh2

Ni1 Ag1 Rh2

3

[ 1, 1, 1 ]

3

[ [ 2.77027711, 0, 0 ], [ 0, 4.57399247, 0 ], [ 0, 0, 4.62067211 ] ]

agm004034022

[ [ 1.385138555, 0, 2.310336055 ], [ 0, 2.286996235, 2.310336055 ], [ 0, 0, 0 ], [ 1.385138555, 2.286996235, 0 ] ]

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

[ "Ag", "Ni", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -2.0025816, 0, 0 ], [ 0, -2.6169572, 0 ], [ 0, 0, -2.5437098 ] ]

-22.010637

[ 0.039, 0.766, 0.496, 0.554 ]

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

1.832486

6.760239

pbe

true

21c312b54a4bb742918c6710c7180bb8_47_Ni1Ag1Rh2

[ "S", "V" ]

4

AB

SV

V2 S2

2

[ 1, 1, 1 ]

3

[ [ 3.22890715, 0, 0 ], [ 0, 3.41313134, 0 ], [ 0, -1.70656567, 5.20227283 ] ]

agm003294187

[ [ 0.8072267875, -1.706565668075306e-8, 4.162628205856903 ], [ 2.4216803625, 1.7065656870656565, 1.0396446241430972 ], [ 0.8072267875, 0.000001723631326672111, 1.5799979400405184 ], [ 2.4216803625, 1.7065639463686733, 3.622274889959482 ] ]

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

[ "V", "V", "S", "S" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 5.2891636, 0, 0 ], [ 0, 5.0721717, 0 ], [ 0, 0, 4.8745556 ] ]

-28.470325

[ 0.675, 0.675, -0.017, -0.017 ]

[ [ 0, 0, -0.00286202 ], [ 0, 0, 0.00286202 ], [ 0, 0, -0.00814227 ], [ 0, 0, 0.00814227 ] ]

1.540315

3.069399

pbe

true

0951e1ef77f5f3aeba799d595f227066_63_V2S2

[ "S", "Yb" ]

10

A3B2

S3Yb2

Yb4 S6

2

[ 1, 1, 1 ]

3

[ [ 7.81501997, 0, 0 ], [ 0, 9.53917759, 0 ], [ 0, 0, 18.09279687 ] ]

agm2000030539

[ [ 5.863359012100961, 7.874375801306793, 9.046398435 ], [ 1.9516609578990385, 7.874375801306793, 9.046398435 ], [ 1.9558490271009616, 3.1047870063067937, 9.046398435 ], [ 5.859170942899039, 3.1047870063067937, 9.046398435 ], [ 0, 5.890738544072721, 9.046398435 ], [ 3.907509985, 1.1211497490727214, 9.046398435 ], [ 0, 3.7948950887760833, 10.59279683966968 ], [ 0, 3.7948950887760833, 7.5000000303303205 ], [ 3.907509985, 8.564483883776083, 10.59279683966968 ], [ 3.907509985, 8.564483883776083, 7.5000000303303205 ] ]

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

[ "S", "S", "S", "S", "S", "S", "Yb", "Yb", "Yb", "Yb" ]

2023-11-16 06:57:59

[ 0.6, 0.4 ]

[ [ 0.64415497, 0, 0 ], [ 0, 0.7117682, 0 ], [ 0, 0, -0.31782058 ] ]

-35.71893

[ 0.006, 0.006, 0.006, 0.006, -0.003, -0.003, 0.198, 0.198, 0.198, 0.198 ]

[ [ -0.01528637, 0.00559737, 0 ], [ 0.01528637, 0.00559737, 0 ], [ -0.01528637, 0.00559737, 0 ], [ 0.01528637, 0.00559737, 0 ], [ 0, -0.01890192, 0 ], [ 0, -0.01890192, 0 ], [ 0, 0.00385359, -0.02702451 ], [ 0, 0.00385359, 0.02702451 ], [ 0, 0.00385359, -0.02702451 ], [ 0, 0.00385359, 0.02702451 ] ]

0.826016

24.746319

pbe

true

e93ca7595ea3f23594281b57d4ae9202_38_Yb4S6

[ "Bi", "Ga", "O" ]

20

A3BC

BiGaO3

Ga4 Bi4 O12

3

[ 1, 1, 1 ]

3

[ [ 5.19387247, 0, 0 ], [ 0, 5.50246455, 0 ], [ 0, 0, 10.11695949 ] ]

agm003225972

[ [ 2.596936235, 4.1268484125, 3.5975548794378103 ], [ 2.596936235, 4.1268484125, 8.65603462443781 ], [ 2.596936235, 1.3756161375, 1.4609248655621894 ], [ 2.596936235, 1.3756161375, 6.51940461056219 ], [ 0, 1.3756161375, 9.013172905546325 ], [ 0, 4.1268484125, 1.1037865844536738 ], [ 0, 1.3756161375, 3.954693160546326 ], [ 0, 4.1268484125, 6.162266329453674 ], [ 3.9882122573208627, 0.529229461503402, 0.5540681350084022 ], [ 1.205660212679137, 4.9732350884965975, 9.562891354991597 ], [ 1.205660212679137, 3.280461736503402, 4.504411609991597 ], [ 3.9882122573208627, 2.2220028134965983, 5.612547880008402 ], [ 3.9882122573208627, 4.9732350884965975, 4.504411609991597 ], [ 1.832767959197139, 0, 2.5292398725 ], [ 1.832767959197139, 2.751232275, 7.5877196174999995 ], [ 3.9882122573208627, 3.280461736503402, 9.562891354991597 ], [ 1.205660212679137, 2.2220028134965983, 0.5540681350084022 ], [ 3.3611045108028605, 2.751232275, 2.5292398725 ], [ 1.205660212679137, 0.529229461503402, 5.612547880008402 ], [ 3.3611045108028605, 0, 7.5877196174999995 ] ]

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

[ "Ga", "Ga", "Ga", "Ga", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.7780952, 0, 0 ], [ 0, 0.82293403, 0 ], [ 0, 0, 0.700525 ] ]

-118.034058

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

[ [ 0, 0, 0.00067081 ], [ 0, 0, 0.00067081 ], [ 0, 0, -0.00067081 ], [ 0, 0, -0.00067081 ], [ 0, 0, -0.00155199 ], [ 0, 0, 0.00155199 ], [ 0, 0, -0.00155199 ], [ 0, 0, 0.00155199 ], [ 0.00011658, 0.00238007, 0.00142358 ], [ -0.00011658, -0.00238007, -0.00142358 ], [ -0.00011658, 0.00238007, -0.00142358 ], [ 0.00011658, -0.00238007, 0.00142358 ], [ 0.00011658, -0.00238007, -0.00142358 ], [ 0.00275317, 0, 0 ], [ 0.00275317, 0, 0 ], [ 0.00011658, 0.00238007, -0.00142358 ], [ -0.00011658, -0.00238007, 0.00142358 ], [ -0.00275317, 0, 0 ], [ -0.00011658, 0.00238007, 0.00142358 ], [ -0.00275317, 0, 0 ] ]

0.000001

0

pbe

true

8b13fba64a19536fde31ffea13481bb2_54_Ga4Bi4O12

[ "S", "Si", "Y", "Zn" ]

23

A14B6C2D

S14Si2Y6Zn

Y6 Zn1 Si2 S14

4

[ 1, 1, 1 ]

3

[ [ 9.88283536, 9e-8, 0 ], [ -4.94141867, 8.55878592, 0 ], [ 0, 0, 5.68741063 ] ]

agm003229476

[ [ 2.5413052871559323, 0.9061327296664341, 4.248749683494629 ], [ 4.455488408718482, 5.904884757339946, 4.248749683494629 ], [ 7.827443529871554, 1.74777717177945, 4.248749683494629 ], [ -2.5360835607030134, 4.801768019059555, 1.3903527062293197 ], [ 0.48507621565658127, 8.3542141240456, 1.3903527062293197 ], [ 2.051005365046432, 3.961589786894845, 1.3903527062293197 ], [ 4.941422291418009, 2.85292584707139, 2.9105850553249337 ], [ 0, 0, 0.9267053799477551 ], [ -0.0000056014180102802495, 5.7058601629286105, 3.7287668486997254 ], [ 0, 0, 3.033622686329232 ], [ -0.0000056014180102802495, 5.7058601629286105, 0.1524235717438071 ], [ 3.249783941752741, 1.5123696906455317, 1.6291947193986813 ], [ 4.626275670346183, 4.988205745129928, 1.6291947193986813 ], [ 6.948192437901075, 2.05821066422454, 1.6291947193986813 ], [ 6.63267757896778, 4.223022310900519, 4.367917600306275 ], [ 5.282323434865567, 0.7032075340880145, 4.367917600306275 ], [ 2.9092511844091935, 3.6325561694236086, 4.367917600306275 ], [ 0.3077036824326956, 1.9436695694120523, 0.06975290642699719 ], [ -3.412013040070082, 7.320471766227214, 0.06975290642699719 ], [ 3.1042925533833556, 7.853439153146565, 0.06975290642699719 ], [ -0.30739846854462743, 3.761032076251166, 2.879428339285774 ], [ -1.5305699444155791, 6.944484401506356, 2.879428339285774 ], [ 1.8379664329602075, 6.412055452242477, 2.879428339285774 ] ]

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

[ "Y", "Y", "Y", "Y", "Y", "Y", "Zn", "Si", "Si", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.6086956521739131, 0.08695652173913043, 0.2608695652173913, 0.043478260869565216 ]

[ [ 0.18223166, 1.7e-7, 0 ], [ -2.1e-7, 0.18223165, 0 ], [ 0, 0, 0.22499654 ] ]

-145.175613

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

[ [ 0.00108516, 0.00131964, 0.00071689 ], [ 0.00060026, -0.0015996, 0.00071689 ], [ -0.00168542, 0.00027996, 0.00071689 ], [ -0.00224057, -0.00173947, 0.00088199 ], [ -0.00038614, 0.00281012, 0.00088199 ], [ 0.00262671, -0.00107065, 0.00088199 ], [ 0, 0, 0.00090869 ], [ 0, 0, 0.00049594 ], [ 0, 0, -0.00554417 ], [ 0, 0, -0.00565799 ], [ 0, 0, -0.00267338 ], [ 0.00172075, 0.00200865, 0.00026146 ], [ 0.00087916, -0.00249454, 0.00026146 ], [ -0.00259991, 0.00048589, 0.00026146 ], [ -0.0007101, -0.00032696, -0.0000889 ], [ 0.0000719, 0.00077844, -0.0000889 ], [ 0.0006382, -0.00045148, -0.0000889 ], [ -0.00125086, -0.00484162, 0.00189331 ], [ -0.00356753, 0.00350409, 0.00189331 ], [ 0.00481839, 0.00133753, 0.00189331 ], [ 0.00208147, 0.00401376, 0.00049223 ], [ 0.00243528, -0.00380948, 0.00049223 ], [ -0.00451675, -0.00020428, 0.00049223 ] ]

0

pbe

true

8f288325098771240789b10f95f9dd5b_143_Y6Zn1Si2S14

[ "Bi", "Ga", "Tc" ]

8

A2BC

BiGa2Tc

Ga4 Tc2 Bi2

3

[ 1, 1, 1 ]

3

[ [ 4.39009767, 0, 0 ], [ 0, 4.39009767, 0 ], [ 2.19504883, 2.19504883, 8.97965997 ] ]

agm002831384

[ [ 0, 0, 0 ], [ 4.390097667500001, 2.1950488325000004, 4.489829985 ], [ 2.8800773035240583, 1.0975244162500002, 2.2449149925 ], [ 1.510020363975942, 3.2925732512500003, 2.2449149925 ], [ 3.29257324875, 3.705069196475942, 6.7347449775 ], [ 5.487622083750001, 5.075126136024059, 6.7347449775 ], [ 2.195048835, 2.195048835, 0 ], [ 2.1950488325000004, 4.390097667500001, 4.489829985 ] ]

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

[ "Bi", "Bi", "Ga", "Ga", "Ga", "Ga", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.2689786, 0, 0 ], [ 0, 4.2689786, 0 ], [ 0, 0, 3.7674494 ] ]

-37.410521

[ -0.021, -0.022, -0.024, -0.024, -0.018, -0.02, 1.162, 1.145 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.02100354, 0, 0 ], [ -0.02100354, 0, 0 ], [ 0, -0.02100354, 0 ], [ 0, 0.02100354, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.482714

7.712176

pbe

true

8d3292966f33d5a3809cc0e337986966_122_Ga4Tc2Bi2

[ "S", "Sm", "Th", "U" ]

32

A5BCD

S5SmThU

S20 Sm4 Th4 U4

4

[ 1, 1, 1 ]

3

[ [ 0, 0, -7.45381691 ], [ 0, -8.01012702, 0 ], [ -12.0145213, 0, 0 ] ]

mp-1219058

[ [ -2.181223005896357, -0.019984305699657604, -7.29889014544551 ], [ -8.188483655896357, -3.9850792043003427, -3.8818352195544894 ], [ -9.833298294103644, -4.025047815699658, -0.1549267645544899 ], [ -3.8260376441036428, -7.990142714300343, -3.5719816904455097 ], [ -9.903176792453065, -0.0119319653102622, -0.1784834348260084 ], [ -3.895916142453064, -3.993131544689738, -3.5484250201739918 ], [ -2.111344507546936, -4.016995475310263, -7.2753334751739915 ], [ -8.118605157546936, -7.998195054689738, -3.905391889826008 ], [ -0.066568017150419, -5.994312311666545, -3.2008423569353264 ], [ -6.07382866715042, -6.020878218333456, -0.5260660980646734 ], [ -11.94795328284958, -1.9892488016665448, -4.252974553064673 ], [ -5.940692632849581, -2.0158147083334557, -6.927750811935326 ], [ -10.83266076930306, -4.318309699978416, -4.954467573793241 ], [ -4.825400119303057, -7.696880830021585, -6.226257791206759 ], [ -1.181860530696942, -0.3132461899784154, -2.4993493362067594 ], [ -7.189121180696942, -3.6918173200215847, -1.2275591187932404 ], [ -1.222485351713845, -3.667826669191604, -2.5055402529176978 ], [ -7.2297460017138455, -0.3372368408083962, -1.221368202082302 ], [ -10.792035948286154, -7.672890179191604, -4.948276657082301 ], [ -4.784775298286155, -4.342300350808396, -6.2324487079176984 ], [ -9.425456718119806, -6.031467686355166, -2.248535478311324 ], [ -3.418196068119807, -5.983722843644835, -1.478372976688676 ], [ -2.589064581880193, -2.026404176355166, -5.205281431688676 ], [ -8.596325231880193, -1.9786593336448346, -5.975443933311324 ], [ -2.242126536689465, -5.9634390392959, -5.005213532007366 ], [ -8.249387186689464, -6.051751490704101, -6.175511832992633 ], [ -9.772394763310535, -1.958375529295899, -2.448603377992634 ], [ -3.7651341133105354, -2.046687980704101, -1.278305077007366 ], [ -0.002711917747836, -6.013040789652007, -0.2984514253817528 ], [ -6.009972567747836, -6.002149740347994, -3.4284570296182473 ], [ -12.011809382252164, -2.007977279652007, -7.155365484618247 ], [ -6.0045487322521645, -1.9970862303479935, -4.025359880381753 ] ]

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

[ "Sm", "Sm", "Sm", "Sm", "Th", "Th", "Th", "Th", "U", "U", "U", "U", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2019-01-12 20:07:31

[ 0.625, 0.125, 0.125, 0.125 ]

[ [ -2.65974987, 0, 0 ], [ 0, -0.88040764, 0 ], [ 0, 0, 0.27669283 ] ]

-234.078875

[ 0.042, 0.041, 0.043, 0.04, 0.094, 0.09, 0.092, 0.091, 2.313, 2.279, 2.305, 2.282, -0.045, -0.046, -0.045, -0.046, -0.041, -0.041, -0.041, -0.041, -0.017, -0.017, -0.017, -0.017, -0.015, -0.015, -0.015, -0.015, -0.016, -0.016, -0.017, -0.017 ]

[ [ 0.00965986, -0.0190563, 0.01762715 ], [ 0.00965986, 0.0190563, -0.01762715 ], [ -0.00965986, -0.0190563, -0.01762715 ], [ -0.00965986, 0.0190563, 0.01762715 ], [ -0.02154115, 0.0180699, -0.01517378 ], [ -0.02154115, -0.0180699, 0.01517378 ], [ 0.02154115, 0.0180699, 0.01517378 ], [ 0.02154115, -0.0180699, -0.01517378 ], [ 0.07782047, 0.03198977, -0.05519842 ], [ 0.07782047, -0.03198977, 0.05519842 ], [ -0.07782047, 0.03198977, 0.05519842 ], [ -0.07782047, -0.03198977, -0.05519842 ], [ -0.00693618, 0.03006346, 0.07973109 ], [ -0.00693618, -0.03006346, -0.07973109 ], [ 0.00693618, 0.03006346, -0.07973109 ], [ 0.00693618, -0.03006346, 0.07973109 ], [ 0.00904203, -0.01409447, -0.07855819 ], [ 0.00904203, 0.01409447, 0.07855819 ], [ -0.00904203, -0.01409447, 0.07855819 ], [ -0.00904203, 0.01409447, -0.07855819 ], [ -0.05322185, -0.0053545, -0.01484741 ], [ -0.05322185, 0.0053545, 0.01484741 ], [ 0.05322185, -0.0053545, 0.01484741 ], [ 0.05322185, 0.0053545, -0.01484741 ], [ 0.02700841, 0.00026158, -0.01467011 ], [ 0.02700841, -0.00026158, 0.01467011 ], [ -0.02700841, 0.00026158, 0.01467011 ], [ -0.02700841, -0.00026158, -0.01467011 ], [ 0.02584206, 0.010595, -0.01651722 ], [ 0.02584206, -0.010595, 0.01651722 ], [ -0.02584206, 0.010595, 0.01651722 ], [ -0.02584206, -0.010595, -0.01651722 ] ]

9.172

7.467934

pbe

true

4fc8fd5dc0dfac7fafa9e88f7c6662be_19_Sm4Th4U4S20

[ "Bi", "Ga", "Th" ]

4

A2BC

BiGa2Th

Th1 Ga2 Bi1

3

[ 1, 1, 1 ]

3

[ [ 5.23216789, 0, 0 ], [ 2.61608395, 4.53119031, 0 ], [ 2.61608395, 1.51039677, 4.27589566 ] ]

agm001987391

[ [ 2.616081305255784, 1.5103952444992623, 1.0697055207474258 ], [ 7.848254484744215, 4.531191835500738, 3.206190139252574 ], [ 0, 0, 0 ], [ 5.232167895, 3.02079354, 2.13794783 ] ]

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

[ "Ga", "Ga", "Bi", "Th" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.6225332, 0, 0 ], [ 0, 1.6225332, 0 ], [ 0, 0, 1.4627994 ] ]

-17.826977

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.0032408 ], [ 0, 0, 0.0032408 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000002

5.345506

pbe

true

d26b7a5a99e3b63e7f873eade0192355_225_Th1Ga2Bi1

[ "Bi", "Gd", "Pm" ]

4

A2BC

BiGdPm2

Pm2 Gd1 Bi1

3

[ 1, 1, 1 ]

3

[ [ 4.91586165, 0, 0 ], [ 0, 4.97133035, 0 ], [ 0, 0, 4.97133035 ] ]

agm001219678

[ [ 2.457930825, 0, 0 ], [ 2.457930825, 2.485665175, 2.485665175 ], [ 0, 0, 2.485665175 ], [ 0, 2.485665175, 0 ] ]

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

[ "Gd", "Bi", "Pm", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.1771839, 0, 0 ], [ 0, 1.1078146, 0 ], [ 0, 0, 1.1078146 ] ]

-29.112908

[ 7.156, -0.024, 0.041, 0.041 ]

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

7.501627

4.974912

pbe

true

dda187ea29009c8eac66e500147b9bcb_123_Pm2Gd1Bi1

[ "Bi", "Gd", "Pu" ]

3

ABC

BiGdPu

Bi1 Gd1 Pu1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.718504667, 3.718504667 ], [ 3.718504667, 0, 3.718504667 ], [ 3.718504667, 3.718504667, 0 ] ]

oqmd-6932839

[ [ 1.85925, 1.85925, 1.85925 ], [ 5.577759999999999, 5.577759999999999, 5.577759999999999 ], [ 0, 0, 0 ] ]

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

[ "Bi", "Gd", "Pu" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.05668559, 0, 0 ], [ 0, 0.05668559, 0 ], [ 0, 0, 0.05668559 ] ]

-22.3742

[ -0.053, 1.03, 5.999 ]

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

7.8382

null

pbe

true

86c508467aa397dcd27f0b73f361e81f_216_Gd1Pu1Bi1

[ "Bi", "Ge", "H" ]

5

A3BC

BiGeH3

Ge1 Bi1 H3

3

[ 1, 1, 1 ]

3

[ [ 4.19563133, 0, 0 ], [ 0, 4.19563133, 0 ], [ 0, 0, 4.19563133 ] ]

agm002491932

[ [ 0, 2.097815665, 0 ], [ 0, 0, 2.097815665 ], [ 2.097815665, 0, 0 ], [ 2.097815665, 2.097815665, 2.097815665 ], [ 0, 0, 0 ] ]

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

[ "H", "H", "H", "Ge", "Bi" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 3.105065, 0, 0 ], [ 0, 3.105065, 0 ], [ 0, 0, 3.105065 ] ]

-14.181118

[ 0, 0, 0, 0, 0 ]

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

0.000366

3.865934

pbe

true

0044d0364ec4bbb8101d64dc10de0f2a_221_Ge1Bi1H3

[ "Bi", "Ge", "La" ]

5

A3BC

BiGe3La

La1 Ge3 Bi1

3

[ 1, 1, 1 ]

3

[ [ 5.40060204, 0, 0 ], [ 0, 5.40060204, 0 ], [ 0, 0, 5.40060204 ] ]

agm002483102

[ [ 0, 2.70030102, 0 ], [ 0, 0, 2.70030102 ], [ 2.70030102, 0, 0 ], [ 0, 0, 0 ], [ 2.70030102, 2.70030102, 2.70030102 ] ]

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

[ "Ge", "Ge", "Ge", "Bi", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 3.771798, 0, 0 ], [ 0, 3.771798, 0 ], [ 0, 0, 3.771798 ] ]

-19.979959

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

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

-0.000001

4.942809

pbe

true

ed34dd4c2eeeb7df6f968243160a7401_221_La1Ge3Bi1

[ "Sb", "Se", "Sn", "Te" ]

10

A2BCD

SbSe2SnTe

Sn2 Sb2 Te2 Se4

4

[ 1, 1, 1 ]

3

[ [ 4.0559318, 0, 0 ], [ 0, 7.09921626, 1.86982439 ], [ 0, 0.89426111, 11.57424317 ] ]

agm004998783

[ [ 1.01398295, 4.037332396806281, 8.354850595111472 ], [ 3.04194885, 3.956144973193719, 5.0892169648885295 ], [ 1.01398295, 2.7704511031080106, 12.026824851468332 ], [ 3.04194885, 5.22302626689199, 1.4172427085316688 ], [ 1.01398295, 6.019417516723606, 3.5870173531749914 ], [ 3.04194885, 1.9740598532763944, 9.857050206825008 ], [ 3.04194885, 5.608666865209439, 7.3206248564848915 ], [ 1.01398295, 2.384810504790562, 6.12344270351511 ], [ 3.04194885, 2.6169620422457207, 2.3630614075811893 ], [ 1.01398295, 5.37651532775428, 11.081006152418812 ] ]

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

[ "Sn", "Sn", "Sb", "Sb", "Te", "Te", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.6516999, 0, 0 ], [ 0, 0.7558358, -0.09589782 ], [ 0, -0.09589782, 0.7843574 ] ]

-38.932444

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

[ [ 0, -0.00032232, 0.00153666 ], [ 0, 0.00032232, -0.00153666 ], [ 0, 0.00307252, 0.00138709 ], [ 0, -0.00307252, -0.00138709 ], [ 0, 0.00090531, -0.00172763 ], [ 0, -0.00090531, 0.00172763 ], [ 0, -0.00110773, -0.00421839 ], [ 0, 0.00110773, 0.00421839 ], [ 0, 0.0017152, 0.0014805 ], [ 0, -0.0017152, -0.0014805 ] ]

-0.000002

3.794479

pbe

true

dfed02205d1fe939805a3af45c66fc74_11_Sn2Sb2Te2Se4

[ "Sb", "Se", "Tl", "Tm" ]

12

A3BCD

SbSe3TlTm

Sb1 Se3 Tl1 Tm1

4

[ 1, 1, 1 ]

3

[ [ 1.965938393, -7.506076607, 0 ], [ 1.965938393, 7.506076607, 0 ], [ 0, 0, 11.714299851 ] ]

oqmd-4963679

[ [ 1.96594, 1.9240899999999972, 2.9285699999999997 ], [ 1.9659399999999996, -1.924089999999997, 8.785719999999994 ], [ 1.9659399999999996, 1.9853300000000036, 0.12663000000000002 ], [ 1.9659400000000016, 7.273360000000003, 2.9285699999999997 ], [ 1.9659399999999996, 1.9853300000000036, 5.7305099999999936 ], [ 1.9659399999999996, -1.985330000000004, 5.98378 ], [ 1.9659400000000016, -7.273360000000004, 8.785719999999994 ], [ 1.9659399999999996, -1.985330000000004, 11.58766 ], [ 1.9659399999999996, -2.817550000000004, 2.9285699999999997 ], [ 1.9659399999999996, 2.817550000000004, 8.785719999999994 ], [ 0, 0, 0 ], [ 0, 0, 5.8571499999999945 ] ]

[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Sb", "Sb", "Se", "Se", "Se", "Se", "Se", "Se", "Tl", "Tl", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]

[ [ 5.65289525, 0, 0 ], [ 0, 5.37272401, 0 ], [ 0, 0, 7.57238994 ] ]

-52.6978

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

[ [ 0, 0.013763, 0 ], [ 0, -0.013763, 0 ], [ 0, -0.012948, -0.010931 ], [ 0, 0.012465, 0 ], [ 0, -0.012948, 0.010931 ], [ 0, 0.012948, -0.010931 ], [ 0, -0.012465, 0 ], [ 0, 0.012948, 0.010931 ], [ 0, 0.041321, 0 ], [ 0, -0.041321, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.041269

null

pbe

true

cc194455350f95dd1fba9f3c8a2b6af5_63_Tm2Tl2Sb2Se6

[ "Sb", "Sm", "Te", "Tl" ]

12

A3BCD

SbSmTe3Tl

Sb1 Sm1 Te3 Tl1

4

[ 1, 1, 1 ]

3

[ [ 2.246893127, -7.820098045, 0 ], [ 2.246893127, 7.820098045, 0 ], [ 0, 0, 11.669229602 ] ]

oqmd-7476334

[ [ 2.24689, -7.134929999999999, 2.91731 ], [ 2.24689, 7.134929999999999, 8.751920000000002 ], [ 2.24689, -6.40204120569991e-17, 0 ], [ 2.24689, -6.40204120569991e-17, 5.8346100000000005 ], [ 2.2468900000000005, -5.603090000000001, 0.3723 ], [ 2.24689, -1.5735900000000005, 2.91731 ], [ 2.2468900000000005, -5.603090000000001, 5.46231 ], [ 2.2468900000000005, 5.60309, 6.206920000000001 ], [ 2.24689, 1.57359, 8.751920000000002 ], [ 2.2468900000000005, 5.60309, 11.29692 ], [ 2.24689, 3.66937, 2.91731 ], [ 2.2468900000000005, -3.66937, 8.751920000000002 ] ]

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

[ "Sb", "Sb", "Sm", "Sm", "Te", "Te", "Te", "Te", "Te", "Te", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 4.52420641, 0, 0 ], [ 0, 4.16968269, 0 ], [ 0, 0, 4.75445551 ] ]

-47.5969

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

[ [ 0, 0.044432, 0 ], [ 0, -0.044432, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.030489, -0.002838 ], [ 0, 0.009076, 0 ], [ 0, 0.030489, 0.002838 ], [ 0, -0.030489, -0.002838 ], [ 0, -0.009076, 0 ], [ 0, -0.030489, 0.002838 ], [ 0, 0.009476, 0 ], [ 0, -0.009476, 0 ] ]

0.007639

null

pbe

true

892c83d5e811b416f9c78a74190288a5_63_Sm2Tl2Sb2Te6

[ "Bi", "Hf", "Nb" ]

4

A2BC

Bi2HfNb

Bi2 Hf1 Nb1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.617908351, 3.617908351 ], [ 3.617908351, 0, 3.617908351 ], [ 3.617908351, 3.617908351, 0 ] ]

oqmd-7257829

[ [ 0, 0, 0 ], [ 5.42686, 5.42686, 5.42686 ], [ 1.80895, 1.80895, 1.80895 ], [ 3.6179100000000006, 3.6179100000000006, 3.6179100000000006 ] ]

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

[ "Bi", "Bi", "Hf", "Nb" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 16.94510549, 0, 0 ], [ 0, 16.94510549, 0 ], [ 0, 0, 16.94510549 ] ]

-26.4098

[ -0.023, -0.009, 0.199, 0.537 ]

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

0.988075

null

pbe

true

38805641b12b6c51952e1815c94b870e_216_Hf1Nb1Bi2

[ "Co", "Hf", "Sb" ]

4

A2BC

Co2HfSb

Hf1 Co2 Sb1

3

[ 1, 1, 1 ]

3

[ [ 3.51849093, 0, 0 ], [ 0, 4.19730423, 0 ], [ 0, 0, 4.19730423 ] ]

agm001202355

[ [ 1.759245465, 2.098652115, 2.098652115 ], [ 1.759245465, 0, 0 ], [ 0, 0, 2.098652115 ], [ 0, 2.098652115, 0 ] ]

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

[ "Sb", "Hf", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.1002344, 0, 0 ], [ 0, 1.7930143, 0 ], [ 0, 0, 1.7930143 ] ]

-29.246749

[ 0.018, -0.107, 0.648, 0.648 ]

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

1.130175

2.176154

pbe

true

14c92ae9979875d3bd01b522e9ebed93_123_Hf1Co2Sb1

[ "Co", "Hf", "Sc" ]

3

ABC

CoHfSc

Co1 Hf1 Sc1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.047988, 3.047988 ], [ 3.047988, 0, 3.047988 ], [ 3.047988, 3.047988, 0 ] ]

oqmd-2826523

[ [ 1.5239900000000022, 1.5239900000000022, 1.5239900000000022 ], [ 4.571980000000001, 4.571980000000001, 4.571980000000001 ], [ 0, 0, 0 ] ]

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

[ "Co", "Hf", "Sc" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.13363, 0, 0 ], [ 0, 3.13363, 0 ], [ 0, 0, 3.13363 ] ]

-20.712

[ 0, 0, 0 ]

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

0.003376

null

pbe

true

15dbd16b27d6797fccd3a30a125777d8_216_Hf1Sc1Co1

[ "Sc", "Sm", "Tb", "Y" ]

12

A2B2CD

Sc2SmTbY2

Tb2 Sm2 Y4 Sc4

4

[ 1, 1, 1 ]

3

[ [ 3.35407485, 0, 0 ], [ 0, 6.30437803, 0 ], [ 0, 0, 17.43164909 ] ]

agm004756571

[ [ 0, 0, 0 ], [ 1.677037425, 3.152189015, 8.715824545 ], [ 1.677037425, 3.152189015, 0 ], [ 0, 0, 8.715824545 ], [ 1.677037425, 1.7405356344584293, 5.386030761511709 ], [ 0, 4.892724649458429, 3.3297937834882907 ], [ 1.677037425, 4.56384239554157, 12.045618328488292 ], [ 0, 1.4116533805415707, 14.101855306511709 ], [ 1.677037425, 4.89763178818564, 6.178970679775157 ], [ 1.677037425, 1.4067462418143597, 11.252678410224844 ], [ 0, 4.558935256814359, 14.894795224775157 ], [ 0, 1.7454427731856401, 2.5368538652248445 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Tb", "Tb", "Sm", "Sm", "Y", "Y", "Y", "Y", "Sc", "Sc", "Sc", "Sc" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]

[ [ 1.7737173, 0, 0 ], [ 0, 1.8829325, 0 ], [ 0, 0, 1.6130338 ] ]

-66.632669

[ 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, 0.00105596, -0.00062241 ], [ 0, 0.00105596, 0.00062241 ], [ 0, -0.00105596, 0.00062241 ], [ 0, -0.00105596, -0.00062241 ], [ 0, 0.00043276, 0.00386703 ], [ 0, -0.00043276, -0.00386703 ], [ 0, -0.00043276, 0.00386703 ], [ 0, 0.00043276, -0.00386703 ] ]

-0.000283

20.062449

pbe

true

2ec2b89c79d131c7566a991c0fd15abc_58_Tb2Sm2Y4Sc4

[ "Co", "F", "Pb" ]

5

A3BC

CoFPb3

Co1 Pb3 F1

3

[ 1, 1, 1 ]

3

[ [ 4.97603128, 0, 0 ], [ 0, 4.97603128, 0 ], [ 0, 0, 4.97603128 ] ]

agm002469393

[ [ 0, 2.48801564, 0 ], [ 0, 0, 2.48801564 ], [ 2.48801564, 0, 0 ], [ 2.48801564, 2.48801564, 2.48801564 ], [ 0, 0, 0 ] ]

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

[ "Pb", "Pb", "Pb", "Co", "F" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -0.17530513, 0, 0 ], [ 0, -0.17530513, 0 ], [ 0, 0, -0.17530513 ] ]

-16.256151

[ 0, 0, 0, 0, 0 ]

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

-0.000001

6.902713

pbe

true

ae1f23d92f1ff9687041cf1631fd6ff0_221_Co1Pb3F1

[ "Co", "Fe", "Na" ]

4

A2BC

Co2FeNa

Na1 Fe1 Co2

3

[ 1, 1, 1 ]

3

[ [ 0, 2.96580216, 2.96580216 ], [ 2.96580216, 0, 2.96580216 ], [ 2.96580216, 2.96580216, 0 ] ]

agm002709369

[ [ 0, 0, 0 ], [ 1.48290108, 1.48290108, 1.48290108 ], [ 4.44870324, 4.44870324, 4.44870324 ], [ 2.96580216, 2.96580216, 2.96580216 ] ]

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

[ "Na", "Co", "Co", "Fe" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.00632689, 0, 0 ], [ 0, 0.00632689, 0 ], [ 0, 0, 0.00632689 ] ]

-21.31205

[ -0.027, 1.541, 1.541, 2.693 ]

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

5.545706

6.661923

pbe

true

a48d201a02d53e0794dcda26e29ef0ce_225_Na1Fe1Co2

[ "Sc", "Sn", "Y", "Zn" ]

12

A2B2CD

ScSn2YZn2

Sc1 Sn2 Y1 Zn2

4

[ 1, 1, 1 ]

3

[ [ 4.447529461, 0, 0 ], [ -2.223764731, 3.851673498, 0 ], [ 0, 0, 15.425749389 ] ]

oqmd-6155228

[ [ 0, 0, 3.856439999999999 ], [ 0, 0, 11.569309999999998 ], [ 7.362634844480218e-17, 2.56778, 1.80732 ], [ 7.362634844480218e-17, 2.56778, 5.905549999999999 ], [ 2.22376, 1.28389, 9.520189999999998 ], [ 2.22376, 1.28389, 13.618429999999998 ], [ 0, 0, 0 ], [ 0, 0, 7.712869999999999 ], [ 2.22376, 1.28389, 2.5348999999999995 ], [ 2.22376, 1.28389, 5.177969999999999 ], [ 7.362634844480218e-17, 2.56778, 10.24777 ], [ 7.362634844480218e-17, 2.56778, 12.89085 ] ]

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

[ "Sc", "Sc", "Sn", "Sn", "Sn", "Sn", "Y", "Y", "Zn", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]

[ [ 4.31552912, 0, 0 ], [ 0, 4.31552912, 0 ], [ 0, 0, 6.34323925 ] ]

-53.0926

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.006842 ], [ 0, 0, 0.006842 ], [ 0, 0, -0.006842 ], [ 0, 0, 0.006842 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.065617 ], [ 0, 0, -0.065617 ], [ 0, 0, 0.065617 ], [ 0, 0, -0.065617 ] ]

0.006813

null

pbe

true

3b6d3f67c8fb9273c838d1eaf3f5c917_194_Y2Sc2Zn4Sn4

[ "Co", "Fe", "Rh" ]

4

A2BC

CoFeRh2

Fe1 Co1 Rh2

3

[ 1, 1, 1 ]

3

[ [ 2.69517944, 0, 0 ], [ 0, 2.69517944, 0 ], [ 0, 0, 7.1094341 ] ]

agm003175994

[ [ 0, 0, 3.63422114059689 ], [ 0, 0, 7.034480900359202 ], [ 1.34758972, 1.34758972, 1.878172717745594 ], [ 1.34758972, 1.34758972, 5.226710491298314 ] ]

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

[ "Co", "Rh", "Rh", "Fe" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 12.554543, 0, 0 ], [ 0, 12.554543, 0 ], [ 0, 0, 11.79533 ] ]

-30.092809

[ 1.633, 0.115, 0.203, 2.719 ]

[ [ 0, 0, -0.00642485 ], [ 0, 0, 0.00558797 ], [ 0, 0, -0.01374301 ], [ 0, 0, 0.01457988 ] ]

4.652612

6.573676

pbe

true

45b9ac4686322b15080d39d6fded5bd6_99_Fe1Co1Rh2

[ "Se", "Si", "Tl", "Tm" ]

12

A3BCD

Se3SiTlTm

Se3 Si1 Tl1 Tm1

4

[ 1, 1, 1 ]

3

[ [ 1.987982816, -7.582186734, 0 ], [ 1.987982816, 7.582186734, 0 ], [ 0, 0, 11.210037575 ] ]

oqmd-7489408

[ [ 1.98798, -1.9733100000000017, 0.12389 ], [ 1.98798, 7.355279999999999, 2.80251 ], [ 1.98798, -1.9733100000000017, 5.481129999999999 ], [ 1.98798, 1.9733099999999992, 5.728909999999999 ], [ 1.98798, -7.35528, 8.40753 ], [ 1.98798, 1.9733099999999992, 11.08615 ], [ 1.98798, -1.8126400000000007, 2.80251 ], [ 1.98798, 1.812639999999999, 8.40753 ], [ 1.98798, 3.326029999999999, 2.80251 ], [ 1.98798, -3.3260300000000003, 8.40753 ], [ 0, 0, 0 ], [ 0, 0, 5.60502 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Se", "Se", "Se", "Se", "Se", "Se", "Si", "Si", "Tl", "Tl", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.5, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 2.52487873, 0, 0 ], [ 0, 3.59575965, 0 ], [ 0, 0, 4.55117618 ] ]

-54.9505

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

[ [ 0, 0.011872, -0.01561 ], [ 0, 0.001413, 0 ], [ 0, 0.011872, 0.01561 ], [ 0, -0.011872, -0.01561 ], [ 0, -0.001413, 0 ], [ 0, -0.011872, 0.01561 ], [ 0, -0.006613, 0 ], [ 0, 0.006613, 0 ], [ 0, 0.01554, 0 ], [ 0, -0.01554, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.001583

null

pbe

true

9397f8f8def0e1b150afe75e90600780_63_Tm2Tl2Si2Se6

[ "Se", "Si", "Tl", "Zr" ]

12

A3BCD

Se3SiTlZr

Se3 Si1 Tl1 Zr1

4

[ 1, 1, 1 ]

3

[ [ 1.839047767, -7.62033082, 0 ], [ 1.839047767, 7.62033082, 0 ], [ 0, 0, 11.043247777 ] ]

oqmd-4877893

[ [ 1.8390500000000003, -1.961770000000004, 0.13385999999999956 ], [ 1.83905, 7.52505, 2.760810000000003 ], [ 1.8390500000000003, -1.961770000000004, 5.387769999999997 ], [ 1.8390500000000007, 1.961770000000004, 5.655480000000004 ], [ 1.8390499999999996, -7.52505, 8.282439999999998 ], [ 1.8390500000000007, 1.961770000000004, 10.909390000000004 ], [ 1.839049999999999, -1.8670500000000003, 2.760810000000003 ], [ 1.8390499999999987, 1.86705, 8.282439999999998 ], [ 1.8390500000000003, 3.239219999999996, 2.760810000000003 ], [ 1.8390500000000003, -3.239219999999996, 8.282439999999998 ], [ 0, 0, 0 ], [ 0, 0, 5.521619999999995 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]

[ "Se", "Se", "Se", "Se", "Se", "Se", "Si", "Si", "Tl", "Tl", "Zr", "Zr" ]

2024-11-01 00:00:00

[ 0.5, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 1.57144002, 0, 0 ], [ 0, 6.62019155, 0 ], [ 0, 0, 14.4118734 ] ]

-60.6958

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.002, 0.001 ]

[ [ 0, 0.015573, 0.020983 ], [ 0, -0.020686, 0 ], [ 0, 0.015573, -0.020983 ], [ 0, -0.015573, 0.020983 ], [ 0, 0.020686, 0 ], [ 0, -0.015573, -0.020983 ], [ 0, 0.016695, 0 ], [ 0, -0.016695, 0 ], [ 0, -0.036745, 0 ], [ 0, 0.036745, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.003314

null

pbe

true

aacea3efd099cb80c3f9f565493ae46e_63_Zr2Tl2Si2Se6

[ "H", "In", "Os" ]

5

A3BC

HInOs3

In1 H1 Os3

3

[ 1, 1, 1 ]

3

[ [ 4.94802587, 0, 0 ], [ 0, 4.94802587, 0 ], [ 0, 0, 4.94802587 ] ]

agm002491258

[ [ 2.474012935, 2.474012935, 2.474012935 ], [ 0, 2.474012935, 0 ], [ 0, 0, 2.474012935 ], [ 2.474012935, 0, 0 ], [ 0, 0, 0 ] ]

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

[ "H", "Os", "Os", "Os", "In" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 8.404942, 0, 0 ], [ 0, 8.404942, 0 ], [ 0, 0, 8.404942 ] ]

-21.8025

[ -0.041, 1.869, 2.194, 1.535, -0.059 ]

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

5.984613

4.436384

pbe

true

0900b7c2a92b1a99727675d5b420cd4e_221_In1H1Os3

[ "H", "K", "P" ]

9

A4B3C2

H4K3P2

K3 P2 H4

3

[ 1, 1, 1 ]

3

[ [ 4.1290769, 0.7530025, -0.26276867 ], [ -1.06310515, 5.27622688, -1.05723172 ], [ -0.19848372, 0.60649935, 10.21873888 ] ]

agm005607127

[ [ 2.440367823957884, 2.7602382823823937, 6.191321835443865 ], [ 0, 0, 0 ], [ 0.4271171400703663, 3.8754844183882264, 2.7074179745565257 ], [ 2.9781003476605994, 1.55643459909495, 3.0791860490137517 ], [ -0.11061644673749912, 5.079293377902551, 5.819552703754918 ], [ 2.4298730995913527, 1.85639977786325, 1.7750717750428675 ], [ 0.43761799638039744, 4.77933498136613, 7.123665394956743 ], [ 2.676372909521762, 5.569890701113238, 6.004794809970782 ], [ 0.19111492199451832, 1.0658386353861127, 2.8939538987680984 ] ]

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

[ "K", "K", "K", "P", "P", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.4444444444444444, 0.3333333333333333, 0.2222222222222222 ]

[ [ 3.3614085, 0.49071637, 1.1529099 ], [ 0.49071634, 3.6627202, 0.78372175 ], [ 1.1529099, 0.78372175, 3.3027306 ] ]

-29.509097

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

[ [ -0.00083808, 0.00372421, -0.00063473 ], [ 0, 0, 0 ], [ 0.00083808, -0.00372421, 0.00063473 ], [ 0.02126457, 0.01523793, -0.0417362 ], [ -0.02126457, -0.01523793, 0.0417362 ], [ 0.01730433, -0.00509719, 0.03230548 ], [ -0.01730433, 0.00509719, -0.03230548 ], [ 0.03421133, 0.00516807, -0.00762071 ], [ -0.03421133, -0.00516807, 0.00762071 ] ]

0.042955

1.962077

pbe

true

f72f14db016b712f458c13f9bccf0394_2_K3P2H4

[ "Se", "Tb", "Te", "Tm" ]

5

A2BCD

Se2TbTeTm

Tb1 Tm1 Te1 Se2

4

[ 1, 1, 1 ]

3

[ [ 4.62367955, 0, 0 ], [ 0, 4.62367955, 0 ], [ -2.31183978, -2.31183978, 6.97719296 ] ]

agm005015355

[ [ -2.4497746733002563e-8, -2.4497746733002563e-8, 1.9247968962085376 ], [ 2.3118397483057422, 2.3118397483057422, 4.989893392448768 ], [ 2.3118397749876705, 2.3118397749876705, 0.0172054787516416 ], [ 2.3118397956021624, 2.060216214549243e-8, 3.5112520534884863 ], [ 2.060216214549243e-8, 2.3118397956021624, 3.5112520534884863 ] ]

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

[ "Tb", "Tm", "Te", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.4228743, 0, 0 ], [ 0, 0.4228743, 0 ], [ 0, 0, 0.41961536 ] ]

-25.70889

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00064221 ], [ 0, 0, 0.00191516 ], [ 0, 0, 0.00156496 ], [ 0, 0, -0.00206117 ], [ 0, 0, -0.00206117 ] ]

0

1.059995

pbe

true

ebe8a6169760bef2c70fe747d21def4e_107_Tb1Tm1Te1Se2

[ "Se", "Te", "Th", "Y" ]

5

A2BCD

Se2TeThY

Y1 Th1 Te1 Se2

4

[ 1, 1, 1 ]

3

[ [ 4.69690728, 0, 0 ], [ 0, 4.69690728, 0 ], [ -2.34845364, -2.34845364, 6.91120561 ] ]

agm005015242

[ [ 2.3484536399999993, 2.3484536399999993, 5.002771831884142 ], [ -2.6031074343626415e-17, -2.6031074343626415e-17, 1.7555198983918026 ], [ 2.34845364, 2.34845364, 0.1300372362585062 ], [ 2.3484536400000002, 7.458706012838547e-17, 3.467048037938384 ], [ 7.458706012838547e-17, 2.3484536400000002, 3.467048037938384 ] ]

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

[ "Y", "Th", "Te", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.23273388, 0, 0 ], [ 0, 0.23273388, 0 ], [ 0, 0, 0.5229128 ] ]

-30.490018

[ 0.224, 0.307, -0.009, 0, 0 ]

[ [ 0, 0, -0.00487862 ], [ 0, 0, 0.00109888 ], [ 0, 0, 0.00043163 ], [ 0, 0, 0.00167405 ], [ 0, 0, 0.00167405 ] ]

0.999236

1.071118

pbe

true

511effe0580f103188fab75d553bda4a_107_Y1Th1Te1Se2

[ "Se", "Te" ]

5

A3B2

Se2Te3

Te3 Se2

2

[ 1, 1, 1 ]

3

[ [ 5.67558043, 0, 0 ], [ 0, 5.97778045, 0 ], [ 0, 0, 17.51937245 ] ]

agm2000113429

[ [ 0, 5.404619741782363, 7.499999897801324 ], [ 0, 4.451607490650167, 10.019372377004952 ], [ 2.837790215, 1.939223540660776, 8.759686225 ], [ 2.837790215, 4.928113765660776, 8.759686225 ], [ 0, 1.939223540660776, 8.759686225 ] ]

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

[ "Te", "Te", "Te", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.4, 0.6 ]

[ [ 0.03866006, 0, 0 ], [ 0, 0.06458543, -0.01136286 ], [ 0, -0.01136275, -0.05963409 ] ]

-14.900799

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0.00180795, 0.00595203 ], [ 0, -0.00180795, -0.00595203 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000018

3.694712

pbe

true

b3cf496f27ca6300a8c855904f184912_10_Te3Se2

[ "Co", "Ga", "Pa" ]

4

A2BC

CoGaPa2

Pa2 Ga1 Co1

3

[ 1, 1, 1 ]

3

[ [ 4.18732808, 0, 0 ], [ 0, 4.27806265, 0 ], [ 0, 0, 4.27806265 ] ]

agm001243840

[ [ 0, 0, 2.139031325 ], [ 0, 2.139031325, 0 ], [ 2.09366404, 0, 0 ], [ 2.09366404, 2.139031325, 2.139031325 ] ]

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

[ "Pa", "Pa", "Co", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4268097, 0, 0 ], [ 0, 1.8017956, 0 ], [ 0, 0, 1.8017956 ] ]

-29.902735

[ 0, 0, 0, 0 ]

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

0.000004

5.767689

pbe

true

179df83d208c294d4532d385c271436c_123_Pa2Ga1Co1

[ "Co", "Gd", "Ge" ]

9

A4B3C2

Co2Gd3Ge4

Gd3 Co2 Ge4

3

[ 1, 1, 1 ]

3

[ [ 4.17264452, 0, 0 ], [ -2.08632176, 5.4061215, 0.00694575 ], [ 0, -2.44437259, 7.70250966 ] ]

agm003266689

[ [ 3.7911331002259693e-7, 3.3461408851161094, 2.377820898953454 ], [ 2.0863223808866898, -0.38439197511610956, 5.331634511046546 ], [ 0, 0, 0 ], [ 0.0000023919379601559167, 1.770828540081676, 4.836684406510553 ], [ 2.08632036806204, 1.1909203699183242, 2.8727710034894467 ], [ 1.0127726001244523e-7, 0.12149801454696373, 3.069136020833956 ], [ 2.08632265872274, 2.8402508954530368, 4.640319389166043 ], [ 2.0863245562259602, 2.070817352323529, 0.629082542172141 ], [ -0.0000017962259598813696, 0.8909315576764716, 7.080372867827859 ] ]

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

[ "Gd", "Gd", "Gd", "Co", "Co", "Ge", "Ge", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.3333333333333333, 0.4444444444444444 ]

[ [ 2.9443932, 2.6e-7, 9e-8 ], [ 2.6e-7, 2.8036723, 0.01395722 ], [ 9e-8, 0.01395773, 3.0292587 ] ]

-81.298615

[ -7.004, -7.004, 6.997, 0.019, 0.019, 0.008, 0.008, -0.001, -0.001 ]

[ [ 0, -0.00036689, 0.00138808 ], [ 0, 0.00036689, -0.00138808 ], [ 0, 0, 0 ], [ 0, -0.00426053, -0.00435268 ], [ 0, 0.00426053, 0.00435268 ], [ 0, 0.00021683, 0.00133056 ], [ 0, -0.00021683, -0.00133056 ], [ 0, 0.0042751, 0.0048796 ], [ 0, -0.0042751, -0.0048796 ] ]

-7.077456

6.448448

pbe

true

f54a132276a0bd04a3793f277c8603a1_12_Gd3Co2Ge4

[ "Si", "Tc", "Th", "Ti" ]

5

A2BCD

Si2TcThTi

Th1 Ti1 Si2 Tc1

4

[ 1, 1, 1 ]

3

[ [ 4.07767402, 0, 0 ], [ 0, 4.07767402, 0 ], [ -2.03883702, -2.03883701, 5.50110059 ] ]

agm005017481

[ [ 0, 0, 0 ], [ -4.999999969612645e-9, 2.03883701, 2.750550295 ], [ 2.038837007746815, 2.0388370100000004, 1.2394998433099267 ], [ -7.746814716937265e-9, 3.598169329623886e-17, 4.261600746690074 ], [ 2.038837005, 0, 2.750550295 ] ]

[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Th", "Ti", "Si", "Si", "Tc" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 3.1091008, 0, 0 ], [ 0, 3.1091008, 0 ], [ 0, 0, 3.0170994 ] ]

-40.323663

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00330242 ], [ 0, 0, -0.00330242 ], [ 0, 0, 0 ] ]

0.000056

2.903812

pbe

true

7a2f40ed605b6fc3f83fe8f9feb01cbf_119_Th1Ti1Si2Tc1

[ "Ag", "Os", "W" ]

4

A2BC

Ag2OsW

Ag2 Os1 W1

3

[ 1, 1, 1 ]

3

[ [ 2.93683938, 0, 0 ], [ 0, 2.93683938, 0 ], [ 0, 0, 7.87116905 ] ]

agm004355064

[ [ 0, 0, 4.1469960183788785 ], [ 0, 0, 7.84110449012 ], [ 1.46841969, 1.46841969, 2.022177475357451 ], [ 1.46841969, 1.46841969, 5.667644562431979 ] ]

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

[ "Os", "Ag", "Ag", "W" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 8.173438, 0, 0 ], [ 0, 8.173438, 0 ], [ 0, 0, 8.374656 ] ]

-28.289172

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.03176111 ], [ 0, 0, 0.00045023 ], [ 0, 0, -0.0009722 ], [ 0, 0, 0.03228308 ] ]

0.000004

3.463491

pbe

true

2d9cef0b78765178b4f51caeb50416be_99_Ag2Os1W1

[ "H", "K", "Re" ]

5

A3BC

HKRe3

K1 Re3 H1

3

[ 1, 1, 1 ]

3

[ [ 4.52938857, 0, 0 ], [ 0, 4.52938857, 0 ], [ 0, 0, 4.52938857 ] ]

agm002495404

[ [ 0, 2.264694285, 0 ], [ 0, 0, 2.264694285 ], [ 2.264694285, 0, 0 ], [ 0, 0, 0 ], [ 2.264694285, 2.264694285, 2.264694285 ] ]

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

[ "Re", "Re", "Re", "K", "H" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 5.6225767, 0, 0 ], [ 0, 5.6225767, 0 ], [ 0, 0, 5.6225767 ] ]

-18.514859

[ -0.286, -0.366, -0.228, -0.03, 0.034 ]

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

-0.956179

7.20528

pbe

true

965729805f1abe64e8f3a58ec1a42304_221_K1Re3H1

[ "Sm", "Sn", "Y", "Zn" ]

12

A2B2CD

SmSn2YZn2

Sm1 Sn2 Y1 Zn2

4

[ 1, 1, 1 ]

3

[ [ 4.535177973, 0, 0 ], [ -2.267588987, 3.927579336, 0 ], [ 0, 0, 16.044640401 ] ]

oqmd-6155029

[ [ 0, 0, 4.01116 ], [ 0, 0, 12.03348 ], [ 2.26759, 1.30919, 1.81101 ], [ 2.26759, 1.30919, 6.21131 ], [ 1.738513897498593e-16, 2.61839, 9.83333 ], [ 1.738513897498593e-16, 2.61839, 14.23363 ], [ 0, 0, 0 ], [ 0, 0, 8.02232 ], [ 1.738513897498593e-16, 2.61839, 2.52638 ], [ 1.738513897498593e-16, 2.61839, 5.49594 ], [ 2.26759, 1.30919, 10.548700000000002 ], [ 2.26759, 1.30919, 13.51826 ] ]

[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Sm", "Sm", "Sn", "Sn", "Sn", "Sn", "Y", "Y", "Zn", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]

[ [ 2.17357852, 0, 0 ], [ 0, 2.17357852, 0 ], [ 0, 0, 2.34118453 ] ]

-50.8085

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.033988 ], [ 0, 0, 0.033988 ], [ 0, 0, -0.033988 ], [ 0, 0, 0.033988 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.010131 ], [ 0, 0, -0.010131 ], [ 0, 0, 0.010131 ], [ 0, 0, -0.010131 ] ]

0.00025

null

pbe

true

eec240388ef5ddf5356ea3cdf2d165ce_194_Sm2Y2Zn4Sn4

[ "Ac", "Al", "U" ]

3

ABC

AcAlU

Ac1 Al1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.647098, 3.647098 ], [ 3.647098, 0, 3.647098 ], [ 3.647098, 3.647098, 0 ] ]

oqmd-3401864

[ [ 1.8235500000000036, 1.8235500000000036, 1.8235500000000036 ], [ 5.470650000000004, 5.470650000000004, 5.470650000000004 ], [ 0, 0, 0 ] ]

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

[ "Ac", "Al", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -13.33455, 0, 0 ], [ 0, -13.33455, 0 ], [ 0, 0, -13.33455 ] ]

-16.2209

[ 0, 0, 0 ]

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

3.79336

null

pbe

true

6d16adc65b61a312526cdcdd820c1295_216_Ac1U1Al1

[ "Ac", "As", "Fe" ]

3

ABC

AcAsFe

Ac1 As1 Fe1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.512478, 3.512478 ], [ 3.512478, 0, 3.512478 ], [ 3.512478, 3.512478, 0 ] ]

oqmd-3252162

[ [ 0, 0, 0 ], [ 1.75624, 1.75624, 1.75624 ], [ 5.268719999999999, 5.268719999999999, 5.268719999999999 ] ]

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

[ "Ac", "As", "Fe" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 32.79019, 0, 0 ], [ 0, 32.79019, 0 ], [ 0, 0, 32.79019 ] ]

-15.6946

[ 0, 0, 0 ]

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

3.22186

null

pbe

true

05b2cb43367cfc82ae202d53298cd5f7_216_Ac1Fe1As1

[ "H", "K", "Re" ]

10

A6B3C

H6K3Re

K3 Re1 H6

3

[ 1, 1, 1 ]

3

[ [ 0, 4.26296261, 4.26296261 ], [ 4.26296261, 0, 4.26296261 ], [ 4.26296261, 4.26296261, 0 ] ]

agm005505477

[ [ 6.394443915, 6.394443915, 6.394443915 ], [ 2.131481305, 2.131481305, 2.131481305 ], [ 4.26296261, 4.26296261, 4.26296261 ], [ 0, 0, 0 ], [ 6.747467522066797, 4.26296261, 4.26296261 ], [ 4.26296261, 4.26296261, 1.7784576979332019 ], [ 4.26296261, 1.7784576979332019, 4.26296261 ], [ 1.7784576979332019, 4.26296261, 4.26296261 ], [ 4.26296261, 4.26296261, 6.747467522066797 ], [ 4.26296261, 6.747467522066797, 4.26296261 ] ]

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

[ "K", "K", "K", "Re", "H", "H", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.6, 0.3, 0.1 ]

[ [ 8.221748, 0, 0 ], [ 0, 8.221748, 0 ], [ 0, 0, 8.221748 ] ]

-36.429669

[ 0.005, 0.005, -0.007, 1.673, -0.009, -0.009, -0.009, -0.009, -0.009, -0.009 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01123464, 0, 0 ], [ 0, 0, -0.01123464 ], [ 0, -0.01123464, 0 ], [ -0.01123464, 0, 0 ], [ 0, 0, 0.01123464 ], [ 0, 0.01123464, 0 ] ]

2

5.786034

pbe

true

19b78108357d2fae4e5264683939e0ce_225_K3Re1H6

[ "Sn", "Te", "Tl", "Tm" ]

12

A3BCD

SnTe3TlTm

Sn1 Te3 Tl1 Tm1

4

[ 1, 1, 1 ]

3

[ [ 2.156408238, -8.017060679, 0 ], [ 2.156408238, 8.017060679, 0 ], [ 0, 0, 12.352881408 ] ]

oqmd-7474427

[ [ 2.15641, 2.0309699999999995, 3.08822 ], [ 2.15641, -2.0309699999999995, 9.26466 ], [ 2.1564100000000006, -2.1249099999999994, 0.03498 ], [ 2.1564100000000006, 7.996, 3.08822 ], [ 2.1564100000000006, -2.1249099999999994, 6.14146 ], [ 2.15641, 2.1249099999999994, 6.211420000000001 ], [ 2.1564100000000006, -7.996, 9.26466 ], [ 2.15641, 2.1249099999999994, 12.3179 ], [ 2.15641, -3.258439999999999, 3.08822 ], [ 2.15641, 3.2584399999999993, 9.26466 ], [ 0, 0, 0 ], [ 0, 0, 6.17644 ] ]

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

[ "Sn", "Sn", "Te", "Te", "Te", "Te", "Te", "Te", "Tl", "Tl", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]

[ [ 5.57417316, 0, 0 ], [ 0, 7.17427389, 0 ], [ 0, 0, 6.43910379 ] ]

-48.2572

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

[ [ 0, 0.007754, 0 ], [ 0, -0.007754, 0 ], [ 0, -0.008066, 0.014505 ], [ 0, 0.00699, 0 ], [ 0, -0.008066, -0.014505 ], [ 0, 0.008066, 0.014505 ], [ 0, -0.00699, 0 ], [ 0, 0.008066, -0.014505 ], [ 0, -0.03654, 0 ], [ 0, 0.03654, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.004348

null

pbe

true

bb872198cf78f2428c797c2acb1081cd_63_Tm2Tl2Sn2Te6

[ "Sr", "Tb", "Te", "Zn" ]

12

A3BCD

SrTbTe3Zn

Sr1 Tb1 Te3 Zn1

4

[ 1, 1, 1 ]

3

[ [ 2.154874381, -7.670792669, 0 ], [ 2.154874381, 7.670792669, 0 ], [ 0, 0, 11.22495965 ] ]

oqmd-4920837

[ [ 2.15487, -3.605189999999994, 2.806239999999997 ], [ 2.15487, 3.6051899999999937, 8.418720000000002 ], [ 2.1548699999999976, -1.678002652694407e-16, 0 ], [ 2.1548699999999976, -1.678002652694407e-16, 5.612479999999994 ], [ 2.15487, 5.519049999999997, 0.6793200000000004 ], [ 2.15487, 1.3727499999999937, 2.806239999999997 ], [ 2.15487, 5.519049999999997, 4.9331599999999955 ], [ 2.15487, -5.519049999999997, 6.291800000000006 ], [ 2.15487, -1.3727499999999933, 8.418720000000002 ], [ 2.15487, -5.519049999999997, 10.545640000000002 ], [ 2.1548699999999994, 7.259579999999998, 2.806239999999997 ], [ 2.1548699999999994, -7.259579999999998, 8.418720000000002 ] ]

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

[ "Sr", "Sr", "Tb", "Tb", "Te", "Te", "Te", "Te", "Te", "Te", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 3.02686573, 0, 0 ], [ 0, 3.35831405, 0 ], [ 0, 0, 3.36384246 ] ]

-46.8973

[ 0.001, 0.001, 0.007, 0.007, 0, 0.001, 0, 0, 0.001, 0, 0.001, 0.001 ]

[ [ 0, -0.002179, 0 ], [ 0, 0.002179, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.000529, -0.00383 ], [ 0, 0.056335, 0 ], [ 0, -0.000529, 0.00383 ], [ 0, 0.000529, -0.00383 ], [ 0, -0.056335, 0 ], [ 0, 0.000529, 0.00383 ], [ 0, 0.020044, 0 ], [ 0, -0.020044, 0 ] ]

0.047271

null

pbe

true

aaae02d2e28b216b2af7ca33229d9d5d_63_Sr2Tb2Zn2Te6

[ "H", "N", "Te" ]

12

A4BC

H4NTe

Te2 H8 N2

3

[ 1, 1, 1 ]

3

[ [ 6.78401455, 0, 0 ], [ 0, 3.1843507, 0 ], [ 0, 0, 7.06679801 ] ]

agm005771771

[ [ 1.6952798509876605, 0.520337074740615, 0 ], [ 5.088734699012339, 2.1125124247406153, 3.533399005 ], [ 4.195200745487395, 1.01724242329035, 0 ], [ 5.976909484563221, 1.0099646852960211, 0 ], [ 5.091507597119507, 2.1236752298064787, 0.8873953517747647 ], [ 1.6925069528804935, 0.531499879806479, 2.6460036532252356 ], [ 0.80710506543678, 2.6021400352960207, 3.533399005 ], [ 2.5888138045126046, 2.60941458893965, 3.533399005 ], [ 1.6925069528804935, 0.531499879806479, 4.420794356774765 ], [ 5.091507597119507, 2.1236752298064787, 6.179402658225236 ], [ 5.088461710266848, 1.573817822962556, 0 ], [ 1.6955528397331525, 3.165993172962556, 3.533399005 ] ]

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

[ "Te", "Te", "H", "H", "H", "H", "H", "H", "H", "H", "N", "N" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 0.49679288, 0, 0 ], [ 0, 0.6032498, 0 ], [ 0, 0, 0.40873384 ] ]

-52.837152

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

[ [ 0.00056892, 0.00115375, 0 ], [ -0.00056892, 0.00115375, 0 ], [ 0.00035234, -0.00346631, 0 ], [ 0.00246312, 0.00140923, 0 ], [ -0.00215322, 0.00038052, 0.00207189 ], [ 0.00215322, 0.00038052, -0.00207189 ], [ -0.00246312, 0.00140923, 0 ], [ -0.00035234, -0.00346631, 0 ], [ 0.00215322, 0.00038052, 0.00207189 ], [ -0.00215322, 0.00038052, -0.00207189 ], [ -0.00081883, 0.00014229, 0 ], [ 0.00081883, 0.00014229, 0 ] ]

0

3.772102

pbe

true

6d201d5edf90cea46ec853b624d1d5ee_44_Te2H8N2

[ "Te", "Tl", "U", "Zn" ]

12

A3BCD

Te3TlUZn

Te3 Tl1 U1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 2.166407653, -7.897965282, 0 ], [ 2.166407653, 7.897965282, 0 ], [ 0, 0, 11.620912744 ] ]

oqmd-9250057

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[ "Te", "Te", "Te", "Te", "Te", "Te", "Tl", "Tl", "U", "U", "Zn", "Zn" ]

2024-11-01 00:00:00

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6.00163

null

pbe

true

364891a307f91192415f6f7a0654ad0c_63_U2Tl2Zn2Te6

[ "Li", "Te", "Y" ]

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A2BC

LiTe2Y

Li1 Y1 Te2

3

[ 1, 1, 1 ]

3

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agm003097235

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[ "Y", "Te", "Te", "Li" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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d7b1767d160ff735deb53a6da0468528_123_Li1Y1Te2

[ "Ag", "Al", "Ca", "O", "Si" ]

79

A48B13C11D4E3

Ag3Al11Ca4O48Si13

Ag3 Al11 Ca4 O48 Si13

5

[ 1, 1, 1 ]

3

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mp-686702

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2019-10-23 10:00:01

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0

-0.87508

pbe

true

7d060ab68347ff6441098fcd7b14b6e9_1_Ca4Al11Si13Ag3O48

[ "Co", "I", "S" ]

8

A2BC

CoIS2

Co2 S4 I2

3

[ 1, 1, 1 ]

3

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agm002881842

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[ "I", "I", "S", "S", "S", "S", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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-33.043516

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0

1.519563

pbe

true

5c61c05e55e45fb456d7a82f62a056d4_122_Co2S4I2

[ "Co", "In", "Mg" ]

10

A2B2C

Co2In2Mg

Mg2 In4 Co4

3

[ 1, 1, 1 ]

3

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agm002994828

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[ "Mg", "Mg", "Co", "Co", "Co", "Co", "In", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

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pbe

true

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[ "Cl", "Ho", "P" ]

10

A5B4C

ClHo5P4

Ho5 P4 Cl1

3

[ 1, 1, 1 ]

3

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[ "Ho", "Ho", "Ho", "Ho", "Ho", "P", "P", "P", "P", "Cl" ]

2023-11-16 06:57:59

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2019-01-12 21:44:13

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[ "Ru", "Ho", "Ho", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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Ba2 V4 Cu2 Ag4 O16

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agm003235546

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ba", "Ba", "V", "V", "V", "V", "Cu", "Cu", "Ag", "Ag", "Ag", "Ag", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-174.911415

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2.022608

1.012264

pbe

true

4d5ac17a0c4b2d662c445ee9ba12b8be_2_Ba2V4Cu2Ag4O16

[ "Bi", "Ir", "Mg" ]

10

A2B2C

BiIr2Mg2

Mg4 Bi2 Ir4

3

[ 1, 1, 1 ]

3

[ [ 7.6524441, 0, 0 ], [ 0, 7.6524441, 0 ], [ 0, 0, 3.13721145 ] ]

agm002993072

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[ "Mg", "Mg", "Mg", "Mg", "Ir", "Ir", "Ir", "Ir", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 0.30045092, 0, 0 ], [ 0, 0.30045092, 0 ], [ 0, 0, 2.723188 ] ]

-50.254197

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0

5.512458

pbe

true

7062150ecb3b5e87db59e7aca77a8df9_127_Mg4Bi2Ir4

[ "Al", "Ce", "Ge" ]

4

A2BC

AlCeGe2

Ce1 Al1 Ge2

3

[ 1, 1, 1 ]

3

[ [ 4.11919033, 0, 0 ], [ 0, 4.4306972, 0 ], [ 0, 0, 4.4306972 ] ]

agm001197087

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

[ "Ge", "Ge", "Al", "Ce" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.3283343, 0, 0 ], [ 0, 3.4362974, 0 ], [ 0, 0, 3.4362974 ] ]

-20.898251

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0.000092

4.197267

pbe

true

11c60ab5d644db5347458c15e3654fde_123_Ce1Al1Ge2

[ "Bi", "Ir", "Tl" ]

4

A2BC

BiIrTl2

Bi1 Ir1 Tl2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.621532342, 3.621532342 ], [ 3.621532342, 0, 3.621532342 ], [ 3.621532342, 3.621532342, 0 ] ]

oqmd-7274406

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

[ "Bi", "Ir", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 17.14179943, 0, 0 ], [ 0, 17.14179943, 0 ], [ 0, 0, 17.14179943 ] ]

-15.6824

[ 0, 0, 0, 0 ]

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

-0.004312

null

pbe

true

b54b2a5ae9bfca4d963b07146d9a4847_216_Tl2Bi1Ir1

[ "Bi", "Ir", "W" ]

4

A2BC

BiIr2W

Bi1 Ir2 W1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.2961725, 3.2961725 ], [ 3.2961725, 0, 3.2961725 ], [ 3.2961725, 3.2961725, 0 ] ]

agm002749764

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

[ "Ir", "Ir", "Bi", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 6.0560946, 0, 0 ], [ 0, 6.0560946, 0 ], [ 0, 0, 6.0560946 ] ]

-31.528424

[ 0, 0, 0, 0 ]

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0.000002

5.364929

pbe

true

b9708db3e35efba843311bc9dd338a90_225_Bi1Ir2W1

[ "Ag", "C", "Cl", "N", "S" ]

80

A4B2C2DE

AgC2ClN4S2

Ag8 C16 Cl8 N32 S16

5

[ 1, 1, 1 ]

3

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mp-1215161

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

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2019-01-12 16:53:15

[ 0.1, 0.2, 0.1, 0.4, 0.2 ]

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true

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A8B6C6D3E

Ag3C6FeH6N8

Ag6 C12 Fe2 H12 N16

5

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3

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mp-690706

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2013-12-01 18:49:25

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[]

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[]

1.912

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pbe

true

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[ "Ag", "C", "H", "N", "O" ]

32

A3B2CDE

AgCH3N2O

Ag1 C1 H3 N2 O1

5

[ 1, 1, 1 ]

3

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oqmd-9715802

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2024-11-01 00:00:00

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-185.593

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null

pbe

true

c4e32e411bd798188c687e2fd13afaa3_14_Ag4H12C4N8O4

[ "Co", "In", "Ru" ]

4

A2BC

CoIn2Ru

In2 Co1 Ru1

3

[ 1, 1, 1 ]

3

[ [ 4.5001838, 0, 0 ], [ 2.2500919, 3.89727349, 0 ], [ 2.2500919, 1.29909116, 3.67438468 ] ]

agm002144657

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[ "Ru", "Co", "In", "In" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 6.785484, 0, 0 ], [ 0, 6.785484, 0 ], [ 0, 0, 6.785484 ] ]

-21.439671

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-0.000002

2.476081

pbe

true

bc0dce76148c5715c157559b41836805_225_In2Co1Ru1

[ "Ag", "C", "H", "N", "S" ]

46

A12B5C4DE

AgC4H12NS5

Ag2 C8 H24 N2 S10

5

[ 1, 1, 1 ]

3

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mp-698405

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2014-05-03 03:25:57

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2023-11-16 06:57:59

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2013-10-05 05:32:21

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mp-648573

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2014-02-24 03:44:03

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2023-11-16 06:57:59

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mp-1196830

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

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2019-01-12 01:55:41

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-669.610351

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11.176

1.898768

pbe

true

7da6721ecdbe91fbed4de791ca1bc58c_221_Cu24Ag9Pb26Cl62O48

[ "Ag", "Cl", "F", "O", "Pb" ]

32

A3B2CDE

AgCl3FOPb2

Ag4 Cl12 F4 O4 Pb8

5

[ 1, 1, 1 ]

3

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mp-1229269

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2019-01-13 04:53:01

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-1.838

1.93395

pbe

true

fb1f40588662a7d652bdfee2289a1359_109_Ag4Pb8Cl12O4F4

[ "Co", "Ir", "P" ]

4

A2BC

Co2IrP

Co2 P1 Ir1

3

[ 1, 1, 1 ]

3

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agm004089117

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[ "Co", "Co", "Ir", "P" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-28.64672

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2.124841

3.178538

pbe

true

d39a012e7b6fd5bf4066cbab02b3af4d_119_Co2P1Ir1

[ "Cl", "Ga", "Si" ]

6

ABC

ClGaSi

Ga2 Si2 Cl2

3

[ 1, 1, 1 ]

3

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agm001014717

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[ "Si", "Si", "Ga", "Ga", "Cl", "Cl" ]

2023-11-16 06:57:59

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-22.019469

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0

1.738687

pbe

true

3f63b0db82fb0a05abea133777a4b13e_2_Ga2Si2Cl2

[ "Ag", "H", "In", "O", "P" ]

56

A8B2C2DE

AgH2InO8P2

Ag1 H2 In1 O8 P2

5

[ 1, 1, 1 ]

3

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oqmd-3502863

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2024-11-01 00:00:00

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[ [ 46.33667, -0.00127, 2.00376 ], [ -0.00127, 41.4717, 0.00297 ], [ 2.00376, 0.00297, 46.19513 ] ]

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2013-12-01 18:26:00

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2013-12-03 01:19:17

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[ "Ge", "Ge", "Ge", "Ge", "Zn", "Zn", "Cl", "Cl" ]

2023-11-16 06:57:59

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6.802885

pbe

true

505672f395644d3c6e88f636c230a767_122_Zn2Ge4Cl2

[ "Sb", "Ta" ]

8

A5B3

Sb5Ta3

Ta3 Sb5

2

[ 1, 1, 1 ]

3

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[ "Ta", "Ta", "Ta", "Sb", "Sb", "Sb", "Sb", "Sb" ]

2023-11-16 06:57:59

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pbe

true

7e5e1384b9f4c2b0532a3040960bf4ea_65_Ta3Sb5

[ "Bi", "La", "Na" ]

5

A3BC

BiLa3Na

Na1 La3 Bi1

3

[ 1, 1, 1 ]

3

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agm002544556

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[ "Na", "Bi", "La", "La", "La" ]

2023-11-16 06:57:59

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pbe

true

65b084ad9b2602fba9b78b13005f227e_221_Na1La3Bi1

[ "Cl", "H", "Hg" ]

6

A4BC

ClH4Hg

Hg1 H4 Cl1

3

[ 1, 1, 1 ]

3

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agm005771071

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[ "Hg", "H", "H", "H", "H", "Cl" ]

2023-11-16 06:57:59

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0

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pbe

true

56f4382c41618f45d7d98f3e1d2cc4f2_12_Hg1H4Cl1

[ "Cl", "H", "Ho" ]

4

A2BC

ClHHo2

Ho2 H1 Cl1

3

[ 1, 1, 1 ]

3

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agm001946493

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[ "H", "Ho", "Ho", "Cl" ]

2023-11-16 06:57:59

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0.000002

1.493702

pbe

true

5d2db4326b610546b1b270aa5572fb73_166_Ho2H1Cl1

[ "Nd", "Sm", "Th" ]

12

A3B2C

Nd2Sm3Th

Nd4 Sm6 Th2

3

[ 1, 1, 1 ]

3

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agm003424090

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[ "Nd", "Nd", "Nd", "Nd", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Th", "Th" ]

2023-11-16 06:57:59

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-60.684008

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16.55027

pbe

true

78ded68d78f7947973b148399617a3ee_58_Nd4Sm6Th2

[ "Cl", "H", "Li" ]

4

A2BC

ClHLi2

Li2 H1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.64444, 0, 0 ], [ -1.82222, 3.15617762, 0 ], [ 0, 0, 5.5816 ] ]

agm002078671

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[ "Li", "Li", "H", "Cl" ]

2023-11-16 06:57:59

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-0.000043

0

pbe

true

e0f997cadbc2ad6a5cf6d52859a3989e_156_Li2H1Cl1

[ "Sb", "W" ]

6

A2B

Sb2W

Sb4 W2

2

[ 1, 1, 1 ]

3

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agm005455456

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[ "Sb", "Sb", "Sb", "Sb", "W", "W" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 2.7094135, 0, 0 ], [ 0, 2.524436, 0.01037135 ], [ 0, 0.01037133, 2.59633 ] ]

-40.196867

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0.000003

3.833473

pbe

true

7945ed52ce7f536dec58b767fa8c975e_8_Sb4W2

[ "Ag", "Mg", "O", "P", "Ti" ]

36

A12B3CDE

AgMgO12P3Ti

Ag2 Mg2 O24 P6 Ti2

5

[ 1, 1, 1 ]

3

[ [ 8.55306355, -0.28874765, -0.2013675 ], [ 4.27149235, 7.41570165, -0.20136748 ], [ 4.27149232, 2.37378406, 7.02839421 ] ]

mp-1043707

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[ "Mg", "Mg", "Ti", "Ti", "Ag", "Ag", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2017-12-04 07:58:12

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[]

0

1.776612

pbe

true

95cbf5904c384f73e714774815010d7c_161_Mg2Ti2Ag2P6O24

[ "Sb", "Y" ]

5

A4B

SbY4

Y4 Sb1

2

[ 1, 1, 1 ]

3

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agm005407938

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[ "Y", "Y", "Y", "Y", "Sb" ]

2023-11-16 06:57:59

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0.000012

5.662353

pbe

true

063f4474cfc7c55e4b8ba570f86a39be_139_Y4Sb1

[ "Sb", "Zn" ]

4

A3B

SbZn3

Zn3 Sb1

2

[ 1, 1, 1 ]

3

[ [ 5.09792445, 0.03217648, 0 ], [ -1.8908032, 4.73441996, 0 ], [ 0, 0, 3.19079652 ] ]

agm003863739

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[ "Sb", "Zn", "Zn", "Zn" ]

2023-11-16 06:57:59

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0

1.726355

pbe

true

fe9f3ba5c357507e4e12f930d8459e4c_65_Zn3Sb1

[ "Sb", "Zr" ]

2

AB

SbZr

Sb1 Zr1

2

[ 1, 1, 1 ]

3

[ [ 0, 2.926569, 2.926569 ], [ 2.926569, 0, 2.926569 ], [ 2.926569, 2.926569, 0 ] ]

oqmd-3717096

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[ "Sb", "Zr" ]

2024-11-01 00:00:00

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0.004575

null

pbe

true

031335ede105b123aed00ec78bec4205_225_Zr1Sb1

[ "Pa", "Pm", "W" ]

3

ABC

PaPmW

Pa1 Pm1 W1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.443729512, 3.443729512 ], [ 3.443729512, 0, 3.443729512 ], [ 3.443729512, 3.443729512, 0 ] ]

oqmd-7045814

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[ "Pa", "Pm", "W" ]

2024-11-01 00:00:00

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-25.1471

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-0.007745

null

pbe

true

23107fe27e77186e5bfb287608fac536_216_Pm1Pa1W1

[ "Al", "Cl", "S" ]

12

ABC

AlClS

Al4 S4 Cl4

3

[ 1, 1, 1 ]

3

[ [ 3.66961298, 0, 0 ], [ 0, 5.36115514, 0 ], [ 0, 0, 17.42771715 ] ]

agm002197527

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[ "S", "S", "S", "S", "Al", "Al", "Al", "Al", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-54.219312

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-0.000026

0

pbe

true

04a4a34add1444e97b9bfb3a9d60237d_58_Al4S4Cl4

[ "Ho", "Pa", "Pb" ]

3

ABC

HoPaPb

Ho1 Pa1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 4.01896849, 0, 0 ], [ 0, 4.01896849, 0 ], [ -2.00948424, -2.00948424, 5.20878101 ] ]

agm001849968

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[ "Pb", "Pa", "Ho" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-17.399677

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0.707697

5.558463

pbe

true

2d79d1e7b20f51375f1d285573a93834_107_Ho1Pa1Pb1

[ "Ho", "W", "Y" ]

3

ABC

HoWY

Ho1 W1 Y1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.480053257, 3.480053257 ], [ 3.480053257, 0, 3.480053257 ], [ 3.480053257, 3.480053257, 0 ] ]

oqmd-4895458

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[ "Ho", "W", "Y" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-19.5485

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

1.93779

null

pbe

true

dfa140355a0b18ae2ca2259e1b4f025e_216_Y1Ho1W1

[ "Sc", "Se" ]

6

A2B

Sc2Se

Sc4 Se2

2

[ 1, 1, 1 ]

3

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agm005453561

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[ "Sc", "Sc", "Sc", "Sc", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

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-36.213437

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0.000031

5.979197

pbe

true

b2f7cf11eb9224987905c91dfe17ec94_194_Sc4Se2

[ "In", "Ir", "Tl" ]

3

ABC

InIrTl

In1 Ir1 Tl1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.243525443, 3.243525443 ], [ 3.243525443, 0, 3.243525443 ], [ 3.243525443, 3.243525443, 0 ] ]

oqmd-4845749

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

[ "In", "Ir", "Tl" ]

2024-11-01 00:00:00

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-13.6163

[ 0, 0, 0 ]

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-0.002742

null

pbe

true

3c1c787812c8f1ba9f743f328f217849_216_Tl1In1Ir1

[ "Sc", "Sm" ]

6

A5B

ScSm5

Sm5 Sc1

2

[ 1, 1, 1 ]

3

[ [ 6.48359597, 0, 0 ], [ -3.24179798, 5.61495892, 0 ], [ 0, 0, 5.78775094 ] ]

agm005545722

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[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sc" ]

2023-11-16 06:57:59

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0.000091

7.488423

pbe

true

0191bc741ab23887371231204022c1c6_191_Sm5Sc1

[ "Sc", "Sn" ]

4

A3B

Sc3Sn

Sc3 Sn1

2

[ 1, 1, 1 ]

3

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agm001829946

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[ "Sc", "Sc", "Sc", "Sn" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

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-24.259207

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0.000097

5.33677

pbe

true

e9fa55ae7a7c8537f060fc96a48d6444_25_Sc3Sn1

[ "Sc", "Sr" ]

6

A2B

Sc2Sr

Sr2 Sc4

2

[ 1, 1, 1 ]

3

[ [ 6.60293183, 0, 0 ], [ 3.30146591, 5.7183067, 0 ], [ 3.30146591, 1.90610223, 5.39127126 ] ]

agm001631029

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[ "Sc", "Sc", "Sc", "Sc", "Sr", "Sr" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

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3.957472

8.996662

pbe

true

c3880d9453e651fd9956a06d49907108_227_Sr2Sc4

[ "Al", "Ba", "Mg", "O", "Si" ]

96

A30B9C6D2E

Al6BaMg2O30Si9

Al12 Ba2 Mg4 O60 Si18

5

[ 1, 1, 1 ]

3

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mp-694056

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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Ba", "Ba", "Mg", "Mg", "Mg", "Mg", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-10-23 12:37:02

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0

2.105586

pbe

true

963ab73d065b77ab1b12b50a4bf07394_1_Ba2Mg4Al12Si18O60

[ "Mo", "Ta", "W" ]

4

A2BC

MoTa2W

Ta2 Mo1 W1

3

[ 1, 1, 1 ]

3

[ [ 2.83537308, 0.00725119, 0 ], [ -0.97748117, 2.66156414, 0 ], [ 0, 0, 9.00308247 ] ]

agm003183375

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

[ "Mo", "W", "Ta", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 9.003055, 0.1770558, 0 ], [ 0.1770558, 9.134134, 0 ], [ 0, 0, 9.81663 ] ]

-47.801974

[ 0, 0, 0, 0 ]

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-0.000001

4.570756

pbe

true

0d5c13416eec74f5e416818c539d344c_65_Ta2Mo1W1

[ "Al", "C", "Ca", "H", "O" ]

49

A22B20C4D2E

Al2CCa4H22O20

Al2 C1 Ca4 H22 O20

5

[ 1, 1, 1 ]

3

[ [ -5.83273, 0, 0 ], [ 1.272348, 8.482762, 0 ], [ -0.045991, -4.287901, -8.996997 ] ]

mp-1371750

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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Ca", "Ca", "Ca", "Ca", "Al", "Al", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2020-07-15 14:42:03

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-181.169799

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-0.078

1.979274

pbe

true

7d669a8fbd72cc0c97b91641c94022c5_1_Ca4Al2H22C1O20

[ "Al", "C", "Cl", "H", "P" ]

34

A9B3C3DE

AlC3Cl3H9P

Al2 C6 Cl6 H18 P2

5

[ 1, 1, 1 ]

3

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mp-1196119

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2019-01-12 01:21:09

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2019-10-23 13:31:34

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2023-11-16 06:57:59

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2019-01-12 06:03:57

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