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{
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{
"id": "mp-641911",
"created_at": "2022-09-04T14:47:11.451040Z",
"structure_string": "Ce4 In16 Pd8\n1.0\n4.529143 0.000000 0.000000\n0.000000 7.325654 0.000000\n0.000000 0.000000 18.334355\nCe In Pd\n4 16 8\ndirect\n0.250000 0.540107 0.858035 Ce\n0.750000 0.040107 0.641965 Ce\n0.750000 0.459893 0.141965 Ce\n0.250000 0.959893 0.358035 Ce\n0.750000 0.253736 0.308759 In\n0.750000 0.511567 0.570626 In\n0.750000 0.655080 0.313991 In\n0.250000 0.011567 0.929374 In\n0.750000 0.353842 0.966550 In\n0.250000 0.753736 0.191241 In\n0.250000 0.646158 0.033450 In\n0.250000 0.853842 0.533450 In\n0.750000 0.246264 0.808759 In\n0.250000 0.488433 0.429374 In\n0.250000 0.155080 0.186009 In\n0.750000 0.844920 0.813991 In\n0.250000 0.746264 0.691241 In\n0.750000 0.988433 0.070626 In\n0.250000 0.344920 0.686009 In\n0.750000 0.146158 0.466550 In\n0.250000 0.238639 0.542846 Pd\n0.750000 0.548746 0.722389 Pd\n0.750000 0.761361 0.457154 Pd\n0.250000 0.261361 0.042846 Pd\n0.750000 0.738639 0.957154 Pd\n0.250000 0.451254 0.277611 Pd\n0.750000 0.951254 0.222389 Pd\n0.250000 0.048746 0.777611 Pd\n",
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},
{
"id": "mp-1187748",
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"structure_string": "U1 Mn3\n1.0\n-1.899707 1.899707 3.762944\n1.899707 -1.899707 3.762944\n1.899707 1.899707 -3.762944\nU Mn\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 Mn\n0.250000 0.750002 0.500002 Mn\n0.750002 0.250000 0.500002 Mn\n",
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"updated_at": "2021-11-28T01:37:58.927000Z",
"spacegroup": 139
},
{
"id": "mp-1225982",
"created_at": "2022-09-04T14:47:11.460081Z",
"structure_string": "Cs1 Ga5 Hg4 Se12\n1.0\n9.140271 0.000000 0.000000\n-2.739931 8.735505 0.000000\n-2.856589 -3.740200 7.913457\nCs Ga Hg Se\n1 5 4 12\ndirect\n0.997477 0.996587 0.996031 Cs\n0.483639 0.334177 0.941515 Ga\n0.938030 0.487557 0.340011 Ga\n0.329425 0.934202 0.480884 Ga\n0.017338 0.186451 0.555860 Ga\n0.561396 0.026605 0.188115 Ga\n0.630473 0.708207 0.396630 Hg\n0.399979 0.635384 0.713952 Hg\n0.709413 0.395114 0.630338 Hg\n0.190261 0.564215 0.020180 Hg\n0.786310 0.939674 0.293200 Se\n0.308108 0.811615 0.934953 Se\n0.924364 0.271870 0.768912 Se\n0.066588 0.697963 0.244577 Se\n0.233090 0.082848 0.685997 Se\n0.696151 0.234354 0.082718 Se\n0.377173 0.416223 0.146690 Se\n0.138491 0.367328 0.433361 Se\n0.427120 0.133709 0.362317 Se\n0.883626 0.638646 0.563865 Se\n0.557356 0.879292 0.634940 Se\n0.638832 0.552620 0.879594 Se\n",
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"density_atomic": 0.034818442875714145,
"volume": 631.8490484634796,
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"formula_full": "Cs1 Ga5 Hg4 Se12",
"formula_reduced": "CsGa5(HgSe3)4",
"formula_anonymous": "AB4C5D12",
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"spacegroup": 1
},
{
"id": "mp-1520630",
"created_at": "2022-09-04T14:47:11.467486Z",
"structure_string": "Sr2 Tb1 Ge1 O6\n1.0\n0.000000 -4.123659 -4.123659\n4.123659 -0.000000 -4.123659\n4.123659 -4.123659 -0.000000\nSr Tb Ge O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 0.000000 Ge\n0.769023 0.230977 0.230977 O\n0.230977 0.769023 0.769023 O\n0.769023 0.230977 0.769023 O\n0.230977 0.769023 0.230977 O\n0.769023 0.769023 0.230977 O\n0.230977 0.230977 0.769023 O\n",
"nsites": 10,
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"density": 5.95343543610623,
"density_atomic": 0.0713052932178409,
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"formula_full": "Sr2 Tb1 Ge1 O6",
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"spacegroup": 225
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{
"id": "mp-1208071",
"created_at": "2022-09-04T14:47:11.449210Z",
"structure_string": "Zn4 S4 O44\n1.0\n7.178417 0.000000 0.000000\n0.000000 11.190517 0.000000\n0.000000 0.000000 13.087505\nZn S O\n4 4 44\ndirect\n0.086429 0.058521 0.127569 Zn\n0.413571 0.941479 0.627569 Zn\n0.913571 0.558521 0.372431 Zn\n0.586429 0.441479 0.872431 Zn\n0.576549 0.265542 0.326249 S\n0.923451 0.734458 0.826249 S\n0.423451 0.765542 0.173751 S\n0.076549 0.234458 0.673751 S\n0.073997 0.436015 0.029134 O\n0.426003 0.563985 0.529134 O\n0.926003 0.936015 0.470866 O\n0.573997 0.063985 0.970866 O\n0.240958 0.464249 0.299066 O\n0.259042 0.535751 0.799066 O\n0.759042 0.964249 0.200934 O\n0.740958 0.035751 0.700934 O\n0.462519 0.148442 0.997880 O\n0.037481 0.851558 0.497880 O\n0.537481 0.648442 0.502120 O\n0.962519 0.351558 0.002120 O\n0.428947 0.069346 0.543926 O\n0.071053 0.930654 0.043926 O\n0.571053 0.569346 0.956074 O\n0.928947 0.430654 0.456074 O\n0.502854 0.146277 0.328758 O\n0.997146 0.853723 0.828758 O\n0.497146 0.646277 0.171242 O\n0.002854 0.353723 0.671242 O\n0.647973 0.313726 0.232257 O\n0.852027 0.686274 0.732257 O\n0.352027 0.813726 0.267743 O\n0.147973 0.186274 0.767743 O\n0.243851 0.407580 0.049349 O\n0.256149 0.592420 0.549349 O\n0.756149 0.907580 0.450651 O\n0.743851 0.092420 0.950651 O\n0.025166 0.215872 0.140683 O\n0.474834 0.784128 0.640683 O\n0.974834 0.715872 0.359317 O\n0.525166 0.284128 0.859317 O\n0.085740 0.164275 0.581791 O\n0.414260 0.835725 0.081791 O\n0.914260 0.664275 0.918209 O\n0.585740 0.335725 0.418209 O\n0.148615 0.024835 0.263912 O\n0.351385 0.975165 0.763912 O\n0.851385 0.524835 0.236088 O\n0.648615 0.475165 0.736088 O\n0.241202 0.354236 0.291959 O\n0.258798 0.645764 0.791959 O\n0.758798 0.854236 0.208041 O\n0.741202 0.145764 0.708041 O\n",
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"elements": [
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],
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"density": 1.7277422565283698,
"density_atomic": 0.049461541632503075,
"volume": 1051.3218610604083,
"volume_molar": 12.175400444944117,
"formula_full": "Zn4 S4 O44",
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"spacegroup": 19
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{
"id": "mp-1102092",
"created_at": "2022-09-04T14:47:11.460770Z",
"structure_string": "Na4 Fe4 S8 O32\n1.0\n8.176113 0.002490 0.048155\n0.000796 -10.464691 0.007544\n-3.862719 2.619883 -7.274910\nNa Fe S O\n4 4 8 32\ndirect\n0.250007 0.624970 0.500016 Na\n0.749999 0.374987 0.500015 Na\n0.250003 0.125024 0.500076 Na\n0.750046 0.875005 0.500094 Na\n0.000136 0.000189 0.000275 Fe\n0.500120 0.750116 0.000161 Fe\n0.999889 0.500101 0.999860 Fe\n0.499821 0.249883 0.999875 Fe\n0.253184 0.305969 0.221884 S\n0.753236 0.056029 0.222130 S\n0.253253 0.805938 0.221941 S\n0.753197 0.555903 0.221932 S\n0.246786 0.444079 0.778016 S\n0.746769 0.194018 0.777954 S\n0.246742 0.944047 0.778109 S\n0.746764 0.694074 0.777956 S\n0.295095 0.266185 0.064233 O\n0.795385 0.016589 0.064651 O\n0.295280 0.766485 0.064433 O\n0.795217 0.516451 0.064386 O\n0.204703 0.483580 0.935543 O\n0.704594 0.233374 0.935407 O\n0.204746 0.983594 0.935672 O\n0.704624 0.733422 0.935401 O\n0.416292 0.351402 0.401796 O\n0.916200 0.101606 0.402087 O\n0.416296 0.851316 0.401789 O\n0.916310 0.601360 0.401786 O\n0.083822 0.398493 0.598079 O\n0.583813 0.148404 0.597951 O\n0.083676 0.898664 0.598241 O\n0.583800 0.648472 0.597969 O\n0.136250 0.417534 0.201946 O\n0.636122 0.167487 0.201975 O\n0.136291 0.917506 0.202077 O\n0.636231 0.667485 0.201984 O\n0.136468 0.184814 0.203151 O\n0.636528 0.934830 0.203226 O\n0.136387 0.684736 0.202925 O\n0.636417 0.434742 0.203105 O\n0.363629 0.565274 0.796977 O\n0.863484 0.315205 0.796834 O\n0.363458 0.065239 0.796968 O\n0.863550 0.815268 0.796937 O\n0.363839 0.332534 0.798043 O\n0.863877 0.082524 0.798080 O\n0.363800 0.832536 0.798027 O\n0.863849 0.582559 0.798024 O\n",
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{
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"structure_string": "Zr1 Cu1 Hg2\n1.0\n0.000000 3.378292 3.378292\n3.378292 0.000000 3.378292\n3.378292 3.378292 0.000000\nZr Cu Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n",
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{
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{
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{
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{
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"elements": [
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"formula_full": "Mo1 W1 C2",
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"updated_at": "2021-11-28T01:37:53.848000Z",
"spacegroup": 25
},
{
"id": "mp-560729",
"created_at": "2022-09-04T14:47:11.661033Z",
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"updated_at": "2021-11-28T01:37:53.402000Z",
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}
]
}