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{
"id": "jvasp-17616",
"created_at": "2022-09-04T14:38:12.490969Z",
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{
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{
"id": "jvasp-14531",
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"updated_at": "2022-09-04T14:38:11.592529Z",
"structure_string": "Nd2 Mg4\n1.0\n5.294735 -0.000000 3.056917\n1.764912 4.991923 3.056917\n-0.000000 -0.000000 6.113833\nNd Mg\n2 4\ndirect\n0.875001 0.874999 0.875000 Nd\n0.125000 0.125000 0.125000 Nd\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n",
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"volume": 161.59416626505214,
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"formula_full": "Nd2 Mg4",
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{
"id": "jvasp-8395",
"created_at": "2022-09-04T14:37:11.997519Z",
"updated_at": "2022-09-04T14:37:11.997539Z",
"structure_string": "Sn2 O4\n1.0\n-3.246586 -0.030561 0.045311\n1.604096 2.783852 0.470372\n-0.109804 -2.153217 -9.286961\nSn O\n2 4\ndirect\n0.002311 0.000399 0.502139 Sn\n0.002142 0.000136 0.002008 Sn\n0.259912 0.515608 0.388501 O\n0.410947 0.817771 0.115307 O\n0.744683 0.485158 0.615784 O\n0.593326 0.182485 0.888717 O\n",
"nsites": 6,
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"volume": 80.05116140402346,
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"formula_full": "Sn2 O4",
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"spacegroup": 166
},
{
"id": "jvasp-79110",
"created_at": "2022-09-04T14:37:12.785407Z",
"updated_at": "2022-09-04T14:37:12.785419Z",
"structure_string": "Sm2 Mg1\n1.0\n3.611896 0.000027 -0.000015\n-0.000030 -2.559957 2.547960\n-1.805916 -3.533935 -6.110665\nSm Mg\n2 1\ndirect\n0.355384 0.438674 0.710782 Sm\n0.033502 0.116881 0.067006 Sm\n0.694447 0.777779 0.388876 Mg\n",
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"density": 6.062620794122885,
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"volume": 89.02366294208394,
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{
"id": "jvasp-69",
"created_at": "2022-09-04T14:37:12.057534Z",
"updated_at": "2022-09-04T14:37:12.057556Z",
"structure_string": "Nb2 Se4\n1.0\n1.745987 -3.024137 0.000000\n1.745987 3.024137 0.000000\n0.000000 0.000000 12.678071\nNb Se\n2 4\ndirect\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333334 0.666668 0.882574 Se\n0.666668 0.333334 0.382574 Se\n0.333334 0.666668 0.617426 Se\n0.666668 0.333334 0.117426 Se\n",
"nsites": 6,
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],
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"formula_full": "Nb2 Se4",
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"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-50312",
"created_at": "2022-09-04T14:37:12.110033Z",
"updated_at": "2022-09-04T14:37:12.110057Z",
"structure_string": "Li8 O4\n1.0\n3.099690 -0.000000 0.000000\n0.000000 5.067486 0.000000\n0.000000 0.000000 5.836522\nLi O\n8 4\ndirect\n0.750000 0.990246 0.157829 Li\n0.750000 0.859524 0.580417 Li\n0.250000 0.640478 0.080418 Li\n0.250000 0.509755 0.657829 Li\n0.750000 0.490246 0.342171 Li\n0.750000 0.359523 0.919582 Li\n0.250000 0.140477 0.419582 Li\n0.250000 0.009754 0.842171 Li\n0.250000 0.753333 0.401017 O\n0.750000 0.746668 0.901017 O\n0.250000 0.253332 0.098983 O\n0.750000 0.246668 0.598983 O\n",
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"formula_full": "Li8 O4",
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},
{
"id": "jvasp-78526",
"created_at": "2022-09-04T14:37:12.140293Z",
"updated_at": "2022-09-04T14:37:12.140302Z",
"structure_string": "Si2 O1\n1.0\n-2.304434 -2.989415 0.889980\n-1.436692 2.488423 -0.000000\n0.834756 0.481948 -4.563646\nSi O\n2 1\ndirect\n0.703510 0.351754 0.932809 Si\n0.426913 0.713455 0.214135 Si\n0.536175 0.268087 0.513057 O\n",
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"density": 2.767379766675821,
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"volume": 43.30514015288283,
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"formula_full": "Si2 O1",
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"spacegroup": 8
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{
"id": "jvasp-78963",
"created_at": "2022-09-04T14:37:12.191316Z",
"updated_at": "2022-09-04T14:37:12.191342Z",
"structure_string": "Li1 Mg2\n1.0\n3.446448 -0.000000 -0.000000\n-1.723225 2.478902 4.915037\n0.000000 -2.437158 2.437881\nLi Mg\n1 2\ndirect\n0.694915 0.389828 0.213403 Li\n0.036426 0.072851 0.872014 Mg\n0.353376 0.706754 0.554967 Mg\n",
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},
{
"id": "jvasp-78521",
"created_at": "2022-09-04T14:37:12.208805Z",
"updated_at": "2022-09-04T14:37:12.208821Z",
"structure_string": "Os1 N2\n1.0\n-1.380199 -2.901354 0.000000\n-1.380199 2.901354 0.000000\n0.000000 0.000000 -3.689743\nOs N\n1 2\ndirect\n0.313703 0.686298 0.500000 Os\n0.009800 0.990201 0.184681 N\n0.009800 0.990201 0.815318 N\n",
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{
"id": "jvasp-78721",
"created_at": "2022-09-04T14:37:12.229562Z",
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"structure_string": "W1 N2\n1.0\n2.428297 -0.488892 2.673693\n0.698646 2.376454 2.673693\n-0.809901 -0.488892 3.519847\nW N\n1 2\ndirect\n0.000000 0.000000 0.000000 W\n0.758515 0.758513 0.758511 N\n0.241488 0.241487 0.241486 N\n",
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{
"id": "jvasp-9233",
"created_at": "2022-09-04T14:37:14.464783Z",
"updated_at": "2022-09-04T14:37:14.464800Z",
"structure_string": "Ni4 S8\n1.0\n6.658494 0.022646 -0.003512\n3.307826 5.778674 0.001727\n3.326097 1.930597 5.436858\nNi S\n4 8\ndirect\n0.499998 0.500005 0.499990 Ni\n-0.000003 0.000003 0.500008 Ni\n0.499998 0.000014 -0.000005 Ni\n0.500004 -0.000014 0.500007 Ni\n0.721022 0.759751 0.259593 S\n0.259749 0.221026 0.259642 S\n0.259629 0.759609 0.259745 S\n0.259599 0.759626 0.721026 S\n0.740253 0.778971 0.740374 S\n0.278975 0.240245 0.740399 S\n0.740407 0.240351 0.278979 S\n0.740370 0.240414 0.740251 S\n",
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}