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{
"id": "jvasp-15631",
"created_at": "2022-09-04T14:36:55.749041Z",
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{
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"structure_string": "Ce1 Ni2 Sn2\n1.0\n4.116523 0.000000 -1.652757\n-0.663571 4.062688 -1.652757\n0.043178 0.050802 6.060433\nCe Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.636345 0.636345 0.272688 Sn\n0.363656 0.363655 0.727311 Sn\n",
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{
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"nsites": 5,
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"formula_full": "Pr1 Mn2 Si2",
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{
"id": "jvasp-45340",
"created_at": "2022-09-04T14:36:51.340393Z",
"updated_at": "2022-09-04T14:36:51.340409Z",
"structure_string": "Y8 S8 O4\n1.0\n0.000000 6.867673 0.016763\n6.898792 0.000000 0.000000\n0.000000 -1.362777 -8.157695\nY S O\n8 8 4\ndirect\n0.249499 0.054735 0.137591 Y\n0.250500 0.554734 0.862408 Y\n0.750500 0.945265 0.862409 Y\n0.749499 0.445265 0.137591 Y\n0.320756 0.144092 0.576139 Y\n0.179244 0.644091 0.423860 Y\n0.679243 0.855908 0.423861 Y\n0.820756 0.355908 0.576139 Y\n0.924100 0.133067 0.318897 S\n0.530374 0.777299 0.076328 S\n0.969625 0.277299 0.923672 S\n0.469625 0.222701 0.923672 S\n0.575899 0.633066 0.681103 S\n0.424100 0.366933 0.318896 S\n0.030374 0.722701 0.076328 S\n0.075899 0.866933 0.681103 S\n0.350343 0.912679 0.383185 O\n0.649656 0.087320 0.616814 O\n0.149656 0.412680 0.616814 O\n0.850343 0.587320 0.383186 O\n",
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"elements": [
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"density_atomic": 0.05176747641675023,
"volume": 386.3429586366444,
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"formula_full": "Y8 S8 O4",
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"spacegroup": 14
},
{
"id": "jvasp-8273",
"created_at": "2022-09-04T14:36:59.624014Z",
"updated_at": "2022-09-04T14:36:59.624037Z",
"structure_string": "Ca1 Cu2 N2\n1.0\n3.589120 0.000000 0.000000\n0.000000 3.589131 0.000000\n0.000000 0.000000 6.111196\nCa Cu N\n1 2 2\ndirect\n0.000000 0.000000 0.250005 Ca\n0.500000 0.500000 0.957799 Cu\n0.500000 0.500000 0.542202 Cu\n0.500000 0.000000 0.508750 N\n0.000000 0.500000 0.991248 N\n",
"nsites": 5,
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],
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"formula_full": "Ca1 Cu2 N2",
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"spacegroup": 115
},
{
"id": "jvasp-18804",
"created_at": "2022-09-04T14:36:50.500440Z",
"updated_at": "2022-09-04T14:36:50.500462Z",
"structure_string": "Ba1 Al2 Ge2\n1.0\n4.042344 -0.000000 -1.200739\n-0.356668 4.026578 -1.200739\n-0.003143 -0.003435 7.394161\nBa Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750001 0.500000 Al\n0.750000 0.250001 0.500000 Al\n0.635503 0.635504 0.271005 Ge\n0.364497 0.364498 0.728994 Ge\n",
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"Al",
"Ge"
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"density": 4.645009809096972,
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"formula_full": "Ba1 Al2 Ge2",
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{
"id": "jvasp-8309",
"created_at": "2022-09-04T14:36:51.218091Z",
"updated_at": "2022-09-04T14:36:51.218112Z",
"structure_string": "Mg1 Co2 N2\n1.0\n3.466802 0.000000 0.000000\n0.000000 3.466802 0.000000\n0.000000 0.000000 5.016768\nMg Co N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.261557 Co\n0.500000 0.500000 0.738444 Co\n0.500000 0.000000 0.739257 N\n0.000000 0.500000 0.260743 N\n",
"nsites": 5,
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"formula_full": "Mg1 Co2 N2",
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"spacegroup": 115
},
{
"id": "jvasp-15320",
"created_at": "2022-09-04T14:36:42.373267Z",
"updated_at": "2022-09-04T14:36:42.373281Z",
"structure_string": "Ba1 As2 Ru2\n1.0\n3.995822 -0.000000 -1.284075\n-0.412644 3.974458 -1.284075\n-0.002213 -0.002455 6.852302\nBa As Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.648442 0.648441 0.296881 As\n0.351559 0.351558 0.703118 As\n0.250001 0.750000 0.499999 Ru\n0.750000 0.250000 0.499999 Ru\n",
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"formula_full": "Ba1 As2 Ru2",
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{
"id": "jvasp-8641",
"created_at": "2022-09-04T14:36:46.458370Z",
"updated_at": "2022-09-04T14:36:46.458394Z",
"structure_string": "Mn1 H2 O2\n1.0\n1.665332 -2.884440 -0.000000\n1.665332 2.884440 0.000000\n-0.000000 0.000000 4.646198\nMn H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.442811 H\n0.333332 0.666666 0.557190 H\n0.333332 0.666666 0.767836 O\n0.666666 0.333332 0.232165 O\n",
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},
{
"id": "jvasp-15592",
"created_at": "2022-09-04T14:37:00.262916Z",
"updated_at": "2022-09-04T14:37:00.262944Z",
"structure_string": "Tb1 Ni2 P2\n1.0\n3.643669 0.000000 -1.391868\n-0.531688 3.604669 -1.391868\n-0.004705 -0.005449 5.452865\nTb Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.623914 0.623914 0.247829 P\n0.376087 0.376086 0.752171 P\n",
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},
{
"id": "jvasp-15805",
"created_at": "2022-09-04T14:36:51.344784Z",
"updated_at": "2022-09-04T14:36:51.344812Z",
"structure_string": "Ba1 Zn2 P2\n1.0\n3.882189 -0.000000 -1.128567\n-0.328079 3.868301 -1.128567\n-0.004218 -0.004592 7.226993\nBa Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.499999 Zn\n0.750000 0.250000 0.499999 Zn\n0.639118 0.639118 0.278236 P\n0.360882 0.360882 0.721763 P\n",
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{
"id": "jvasp-15590",
"created_at": "2022-09-04T14:36:58.653288Z",
"updated_at": "2022-09-04T14:36:58.653322Z",
"structure_string": "U1 Si2 Au2\n1.0\n3.958261 0.000000 -1.499391\n-0.567970 3.917300 -1.499391\n0.016216 0.018737 6.017238\nU Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.609974 0.609974 0.219948 Si\n0.390027 0.390027 0.780053 Si\n0.750000 0.250000 0.500001 Au\n0.250000 0.750000 0.500001 Au\n",
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