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{
"id": "jvasp-58385",
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"updated_at": "2022-09-04T14:37:30.268759Z",
"structure_string": "Si8 O16\n1.0\n7.071264 0.000000 0.000000\n-0.000000 7.071264 -0.000000\n0.000000 0.000000 7.071264\nSi O\n8 16\ndirect\n0.975434 0.524565 0.475434 Si\n0.524565 0.475434 0.975434 Si\n0.475434 0.975434 0.524565 Si\n0.024565 0.024565 0.024565 Si\n0.711377 0.788622 0.211377 Si\n0.788622 0.211377 0.711377 Si\n0.211377 0.711377 0.788622 Si\n0.288623 0.288623 0.288623 Si\n0.028521 0.638439 0.668963 O\n0.638439 0.668963 0.028521 O\n0.843704 0.656295 0.343705 O\n0.656295 0.343705 0.843704 O\n0.343705 0.843704 0.656295 O\n0.156295 0.156295 0.156295 O\n0.528521 0.861560 0.331036 O\n0.168963 0.471479 0.361560 O\n0.471479 0.361560 0.168963 O\n0.971478 0.138439 0.831036 O\n0.668963 0.028521 0.638439 O\n0.138439 0.831036 0.971478 O\n0.361560 0.168963 0.471479 O\n0.861560 0.331036 0.528521 O\n0.331036 0.528521 0.861560 O\n0.831036 0.971478 0.138439 O\n",
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{
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{
"id": "jvasp-34997",
"created_at": "2022-09-04T14:37:29.168374Z",
"updated_at": "2022-09-04T14:37:29.168405Z",
"structure_string": "Mg4 Sn2\n1.0\n2.523109 -4.370152 0.000000\n2.523109 4.370152 -0.000000\n0.000000 -0.000000 6.240621\nMg Sn\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 6,
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"elements": [
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"density": 4.037723633462654,
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"volume": 137.62279038659312,
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"formula_full": "Mg4 Sn2",
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},
{
"id": "jvasp-34192",
"created_at": "2022-09-04T14:37:15.018428Z",
"updated_at": "2022-09-04T14:37:15.018458Z",
"structure_string": "Tb4 O6\n1.0\n5.368454 0.000000 0.000000\n0.000000 5.368454 0.000000\n0.000000 -0.000000 5.368205\nTb O\n4 6\ndirect\n0.250000 0.749999 0.749999 Tb\n0.749999 0.749999 0.250000 Tb\n0.250000 0.250000 0.250000 Tb\n0.749999 0.250000 0.749999 Tb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 10,
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"elements": [
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"volume": 154.71326970458443,
"volume_molar": 9.31705087600851,
"formula_full": "Tb4 O6",
"formula_reduced": "Tb2O3",
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"spacegroup": 224
},
{
"id": "jvasp-21808",
"created_at": "2022-09-04T14:37:29.174002Z",
"updated_at": "2022-09-04T14:37:29.174018Z",
"structure_string": "Mn8 Nb4\n1.0\n2.403314 -4.162663 0.000000\n2.403314 4.162663 -0.000000\n-0.000000 0.000000 7.900590\nMn Nb\n8 4\ndirect\n0.171341 0.828657 0.250000 Mn\n0.828657 0.657315 0.750000 Mn\n0.342684 0.171342 0.750000 Mn\n0.657315 0.828657 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.828657 0.171341 0.750000 Mn\n0.171342 0.342684 0.250000 Mn\n0.333332 0.666666 0.562409 Nb\n0.666666 0.333332 0.062409 Nb\n0.666666 0.333332 0.437591 Nb\n0.333332 0.666666 0.937591 Nb\n",
"nsites": 12,
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"density": 8.52056135259191,
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"volume": 158.0779479296685,
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"formula_full": "Mn8 Nb4",
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},
{
"id": "jvasp-78396",
"created_at": "2022-09-04T14:37:08.678105Z",
"updated_at": "2022-09-04T14:37:08.678125Z",
"structure_string": "K1 P1\n1.0\n-2.625890 -2.338283 -3.083342\n2.625890 -2.338283 3.083342\n-2.041041 2.338283 3.512551\nK P\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.500000 P\n",
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"elements": [
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"P"
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{
"id": "jvasp-36653",
"created_at": "2022-09-04T14:37:29.188504Z",
"updated_at": "2022-09-04T14:37:29.188523Z",
"structure_string": "Ir1 C1\n1.0\n2.737731 -0.000000 -0.000000\n-0.000000 2.737731 -0.000000\n0.000000 -0.000000 2.737731\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
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"elements": [
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"formula_full": "Ir1 C1",
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"energy_above_hull": 4.38638555,
"spacegroup": 221
},
{
"id": "jvasp-80518",
"created_at": "2022-09-04T14:37:14.163875Z",
"updated_at": "2022-09-04T14:37:14.163904Z",
"structure_string": "Sr2 Mg2\n1.0\n5.881884 0.000000 -0.000000\n0.000000 4.145814 0.000000\n0.000000 0.000000 5.883798\nSr Mg\n2 2\ndirect\n0.250000 0.500000 0.250055 Sr\n0.749999 0.500000 0.749945 Sr\n0.749999 0.000000 0.249902 Mg\n0.250000 0.000000 0.750099 Mg\n",
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"formula_full": "Sr2 Mg2",
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"spacegroup": 221
},
{
"id": "jvasp-35982",
"created_at": "2022-09-04T14:37:15.042700Z",
"updated_at": "2022-09-04T14:37:15.042734Z",
"structure_string": "Li2 Be2\n1.0\n0.000000 2.263722 0.293534\n3.616447 0.000000 0.000000\n0.000000 -1.532927 -5.701569\nLi Be\n2 2\ndirect\n0.594579 0.750001 0.845416 Li\n0.405419 0.250000 0.154585 Li\n0.174131 0.750001 0.423771 Be\n0.825867 0.250000 0.576229 Be\n",
"nsites": 4,
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},
{
"id": "jvasp-80099",
"created_at": "2022-09-04T14:37:15.043473Z",
"updated_at": "2022-09-04T14:37:15.043500Z",
"structure_string": "Fe3 Si1\n1.0\n-2.801282 -2.801282 0.000000\n-2.801282 0.000000 -2.801282\n0.000000 -2.801282 -2.801282\nFe Si\n3 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.749999 0.749999 0.749999 Fe\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Si\n",
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"formula_full": "Fe3 Si1",
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},
{
"id": "jvasp-56595",
"created_at": "2022-09-04T14:37:15.050429Z",
"updated_at": "2022-09-04T14:37:15.050455Z",
"structure_string": "Nb6 Te2\n1.0\n5.312733 0.000000 0.000000\n-0.000000 5.312733 -0.000000\n-0.000000 0.000000 5.312733\nNb Te\n6 2\ndirect\n0.500000 0.750000 0.000000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.500000 0.250000 Nb\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
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"volume": 149.9525898300873,
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},
{
"id": "jvasp-22915",
"created_at": "2022-09-04T14:37:30.274770Z",
"updated_at": "2022-09-04T14:37:30.274795Z",
"structure_string": "Hf20 Sb12\n1.0\n7.444150 0.000000 0.000000\n0.000000 8.817217 0.000000\n0.000000 0.000000 10.774316\nHf Sb\n20 12\ndirect\n0.800745 0.440975 0.559916 Hf\n0.473544 0.250000 0.488687 Hf\n0.973544 0.250000 0.011313 Hf\n0.526456 0.750000 0.511313 Hf\n0.026456 0.750000 0.988687 Hf\n0.804682 0.250000 0.277204 Hf\n0.695318 0.750000 0.777204 Hf\n0.195318 0.750000 0.722797 Hf\n0.199255 0.559025 0.440084 Hf\n0.699255 0.940975 0.059916 Hf\n0.304682 0.250000 0.222797 Hf\n0.300745 0.440975 0.940084 Hf\n0.360017 0.750000 0.216402 Hf\n0.860017 0.750000 0.283598 Hf\n0.639983 0.250000 0.783598 Hf\n0.139983 0.250000 0.716402 Hf\n0.699255 0.559025 0.059916 Hf\n0.199255 0.940975 0.440084 Hf\n0.300745 0.059025 0.940084 Hf\n0.800745 0.059025 0.559916 Hf\n0.924697 0.491465 0.824893 Sb\n0.424697 0.008535 0.675107 Sb\n0.924697 0.008535 0.824893 Sb\n0.424697 0.491465 0.675107 Sb\n0.075303 0.508535 0.175107 Sb\n0.917852 0.750000 0.544615 Sb\n0.082148 0.250000 0.455385 Sb\n0.582148 0.250000 0.044615 Sb\n0.417852 0.750000 0.955385 Sb\n0.575303 0.508535 0.324893 Sb\n0.575303 0.991465 0.324893 Sb\n0.075303 0.991465 0.175107 Sb\n",
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}
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}