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{
"id": "jvasp-1852",
"created_at": "2022-09-04T14:36:02.686251Z",
"updated_at": "2022-09-04T14:36:02.686260Z",
"structure_string": "K1 Y1 Te2\n1.0\n4.425819 0.078729 7.282817\n2.099049 3.897186 7.282817\n0.129203 0.078729 8.521185\nK Y Te\n1 1 2\ndirect\n0.500000 0.500001 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.262662 0.262663 0.262663 Te\n0.737337 0.737338 0.737337 Te\n",
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{
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"formula_full": "Tl12 Sb4 Se12",
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{
"id": "jvasp-50095",
"created_at": "2022-09-04T14:37:08.749717Z",
"updated_at": "2022-09-04T14:37:08.749744Z",
"structure_string": "Na1 Lu1 O2\n1.0\n3.314471 -0.000000 -0.000000\n-1.657235 0.956805 5.481246\n1.657235 -2.870416 -0.000000\nNa Lu O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Lu\n0.236522 0.709567 0.236521 O\n0.763478 0.290434 0.763479 O\n",
"nsites": 4,
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],
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"volume": 52.14808436544434,
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"spacegroup": 166
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{
"id": "jvasp-107226",
"created_at": "2022-09-04T14:36:43.806575Z",
"updated_at": "2022-09-04T14:36:43.806601Z",
"structure_string": "Ti1 Ga1 Cu2\n1.0\n3.675941 -0.000000 2.122306\n1.225314 3.465710 2.122306\n-0.000000 -0.000000 4.244611\nTi Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500001 Ga\n0.250000 0.250000 0.250001 Cu\n0.749999 0.750000 0.750002 Cu\n",
"nsites": 4,
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"formula_full": "Ti1 Ga1 Cu2",
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{
"id": "jvasp-57098",
"created_at": "2022-09-04T14:37:04.111133Z",
"updated_at": "2022-09-04T14:37:04.111163Z",
"structure_string": "Na2 Cd1 Sn1 S4\n1.0\n5.630585 0.019669 -3.215232\n-1.857507 5.312405 -3.220397\n0.177698 0.257963 6.850640\nNa Cd Sn S\n2 1 1 4\ndirect\n0.514043 0.014043 0.028085 Na\n0.764116 0.764116 0.528232 Na\n0.014180 0.514181 0.028360 Cd\n0.264127 0.264127 0.528254 Sn\n0.925018 0.375761 0.279952 S\n0.624114 0.603192 0.776533 S\n0.152420 0.173340 0.776533 S\n0.354934 0.904192 0.279952 S\n",
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"density_atomic": 0.03731196759743385,
"volume": 214.40841947317207,
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"formula_full": "Na2 Cd1 Sn1 S4",
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{
"id": "jvasp-37186",
"created_at": "2022-09-04T14:38:04.902706Z",
"updated_at": "2022-09-04T14:38:04.902731Z",
"structure_string": "Y1 Ag2\n1.0\n3.734370 -0.000000 -0.000000\n-0.000000 3.734370 -0.000000\n-1.867184 -1.867184 4.588841\nY Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.669049 0.669049 0.338098 Ag\n0.330952 0.330952 0.661902 Ag\n",
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{
"id": "jvasp-100618",
"created_at": "2022-09-04T14:36:57.008461Z",
"updated_at": "2022-09-04T14:36:57.008489Z",
"structure_string": "Sr2 Li1 Rh1\n1.0\n4.593852 0.000000 2.652261\n1.531284 4.331126 2.652261\n0.000000 0.000000 5.304524\nSr Li Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.749999 Sr\n0.499999 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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{
"id": "jvasp-117344",
"created_at": "2022-09-04T14:38:26.216981Z",
"updated_at": "2022-09-04T14:38:26.216998Z",
"structure_string": "K12 Sb4 S12\n1.0\n9.408350 -0.000000 0.000000\n0.000000 9.408350 0.000000\n-0.000000 -0.000000 9.408350\nK Sb S\n12 4 12\ndirect\n0.439132 0.939132 0.560868 K\n0.939132 0.560868 0.439132 K\n0.560868 0.439132 0.939132 K\n0.060868 0.060868 0.060868 K\n0.931594 0.431594 0.068406 K\n0.431594 0.068406 0.931594 K\n0.068406 0.931594 0.431594 K\n0.568406 0.568406 0.568406 K\n0.677956 0.177956 0.322044 K\n0.177956 0.322044 0.677956 K\n0.322044 0.677956 0.177956 K\n0.822044 0.822044 0.822044 K\n0.281612 0.281612 0.281612 Sb\n0.781612 0.218388 0.718388 Sb\n0.718388 0.781612 0.218388 Sb\n0.218388 0.718388 0.781612 Sb\n0.146494 0.969685 0.752368 S\n0.247632 0.646494 0.530315 S\n0.469685 0.747632 0.853506 S\n0.646494 0.530315 0.247632 S\n0.747632 0.853506 0.469685 S\n0.969685 0.752368 0.146494 S\n0.853506 0.469685 0.747632 S\n0.752368 0.146494 0.969685 S\n0.530315 0.247632 0.646494 S\n0.353506 0.030315 0.252368 S\n0.252368 0.353506 0.030315 S\n0.030315 0.252368 0.353506 S\n",
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{
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"created_at": "2022-09-04T14:36:47.023442Z",
"updated_at": "2022-09-04T14:36:47.023462Z",
"structure_string": "Ca1 Ni2 Ge2\n1.0\n3.826681 0.000000 -1.448424\n-0.548238 3.787205 -1.448424\n-0.000972 -0.001123 5.776618\nCa Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750001 0.500001 Ni\n0.750000 0.250001 0.500001 Ni\n0.368415 0.368416 0.736832 Ge\n0.631585 0.631586 0.263170 Ge\n",
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},
{
"id": "jvasp-68856",
"created_at": "2022-09-04T14:36:03.526766Z",
"updated_at": "2022-09-04T14:36:03.526797Z",
"structure_string": "Mg1 Be1 Te1\n1.0\n1.903696 -3.297297 0.000000\n1.903696 3.297297 -0.000000\n-0.000000 -0.000000 5.197359\nMg Be Te\n1 1 1\ndirect\n0.666668 0.333334 0.292522 Mg\n0.000000 0.000000 0.956781 Be\n0.333334 0.666668 0.750697 Te\n",
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{
"id": "jvasp-40942",
"created_at": "2022-09-04T14:37:34.426532Z",
"updated_at": "2022-09-04T14:37:34.426565Z",
"structure_string": "Pm2 Mg1 Sn1\n1.0\n-0.000280 3.811624 3.811624\n3.811624 -0.000280 3.811624\n3.811624 3.811624 -0.000280\nPm Mg Sn\n2 1 1\ndirect\n0.000008 0.000008 0.000008 Pm\n0.499991 0.499991 0.499991 Pm\n0.249994 0.249994 0.249994 Mg\n0.750006 0.750006 0.750006 Sn\n",
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{
"id": "jvasp-29375",
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"structure_string": "Cd2 Bi2 Cl2 O4\n1.0\n4.220466 0.000000 0.000000\n0.000000 6.027930 -1.158246\n0.000000 0.072357 7.625789\nCd Bi Cl O\n2 2 2 4\ndirect\n0.750001 0.656553 0.901847 Cd\n0.250000 0.343447 0.098153 Cd\n0.250000 0.306215 0.595767 Bi\n0.750001 0.693785 0.404232 Bi\n0.250000 0.965596 0.193700 Cl\n0.750001 0.034404 0.806300 Cl\n0.250000 0.512714 0.855407 O\n0.750001 0.487287 0.144593 O\n0.750001 0.451521 0.591445 O\n0.250000 0.548480 0.408555 O\n",
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}