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{
"id": "jvasp-85073",
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{
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{
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},
{
"id": "jvasp-85069",
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"updated_at": "2022-09-04T14:37:09.547122Z",
"structure_string": "K1 Ba1 Au2\n1.0\n-10.827023 -0.000000 -6.250985\n-11.123160 0.002562 6.763910\n-7.317936 10.765363 0.173067\nK Ba Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 -0.000000 Ba\n0.748556 0.000000 -0.000000 Au\n0.251444 0.000000 -0.000000 Au\n",
"nsites": 4,
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],
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"volume": 1536.781222481073,
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"formula_full": "K1 Ba1 Au2",
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},
{
"id": "jvasp-9439",
"created_at": "2022-09-04T14:37:09.548206Z",
"updated_at": "2022-09-04T14:37:09.548237Z",
"structure_string": "Ba4 Si4 N8\n1.0\n5.653605 -0.000000 -0.000000\n-2.826802 5.755638 0.000000\n-0.000000 -0.000000 7.643797\nBa Si N\n4 4 8\ndirect\n0.835039 0.670076 0.565381 Ba\n0.164963 0.329924 0.434619 Ba\n0.664963 0.329924 0.065381 Ba\n0.335038 0.670076 0.934619 Ba\n0.049423 0.098845 0.859208 Si\n0.450578 0.901155 0.359208 Si\n0.950579 0.901155 0.140792 Si\n0.549423 0.098845 0.640792 Si\n0.347653 0.195305 0.750000 N\n0.152348 0.804696 0.250000 N\n0.652349 0.804696 0.250000 N\n0.847653 0.195305 0.750000 N\n0.899131 0.798258 0.919441 N\n0.399130 0.798258 0.580559 N\n0.600871 0.201742 0.419441 N\n0.100871 0.201742 0.080559 N\n",
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"elements": [
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"density": 5.165301026629577,
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"volume": 248.72994761495724,
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"formula_full": "Ba4 Si4 N8",
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},
{
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"created_at": "2022-09-04T14:37:09.372704Z",
"updated_at": "2022-09-04T14:37:09.372725Z",
"structure_string": "Li4 Nd4 O8\n1.0\n0.000000 6.609953 0.024431\n6.104290 0.000000 0.000000\n0.000000 -3.495590 -5.853335\nLi Nd O\n4 4 8\ndirect\n0.681878 0.831817 0.286246 Li\n0.318122 0.331817 0.213754 Li\n0.681878 0.668183 0.786247 Li\n0.318122 0.168183 0.713755 Li\n0.778558 0.138314 0.738853 Nd\n0.778558 0.361686 0.238853 Nd\n0.221442 0.638314 0.761148 Nd\n0.221442 0.861686 0.261148 Nd\n0.964348 0.800204 0.855930 O\n0.964348 0.699796 0.355929 O\n0.554131 0.102222 0.318013 O\n0.445868 0.602222 0.181988 O\n0.554132 0.397778 0.818013 O\n0.445869 0.897778 0.681988 O\n0.035652 0.300204 0.644072 O\n0.035652 0.199796 0.144071 O\n",
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{
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"created_at": "2022-09-04T14:37:18.694927Z",
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"structure_string": "Sc1 Zn2 Cu1\n1.0\n-9.117775 -0.000000 -5.264150\n-8.833780 -0.036297 4.772255\n-5.966741 8.072912 -0.193601\nSc Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.729037 0.000000 0.000000 Zn\n0.270964 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Cu\n",
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"formula_full": "Sc1 Zn2 Cu1",
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},
{
"id": "jvasp-81193",
"created_at": "2022-09-04T14:37:09.404525Z",
"updated_at": "2022-09-04T14:37:09.404553Z",
"structure_string": "Al1 Ga1 Ru2\n1.0\n-8.847344 -0.000001 -5.108017\n-5.769445 0.278117 -0.223061\n-5.003369 2.444908 -1.549944\nAl Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 -0.000001 0.000000 Ga\n0.739932 -0.000002 0.000000 Ru\n0.260068 -0.000001 0.000000 Ru\n",
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},
{
"id": "jvasp-85110",
"created_at": "2022-09-04T14:37:09.449370Z",
"updated_at": "2022-09-04T14:37:09.449391Z",
"structure_string": "Sc2 Al1 Au1\n1.0\n-6.054114 -3.728852 -9.549811\n-4.054817 -2.423040 -1.940773\n-2.809676 1.121724 -4.114195\nSc Al Au\n2 1 1\ndirect\n0.750103 -0.000206 -0.000204 Sc\n0.249896 0.000203 0.000203 Sc\n0.000013 -0.000014 -0.000015 Al\n0.499988 0.000014 0.000017 Au\n",
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{
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"created_at": "2022-09-04T14:37:18.661547Z",
"updated_at": "2022-09-04T14:37:18.661573Z",
"structure_string": "Ca4 U4 S8\n1.0\n8.487061 -1.266872 2.194285\n-4.023439 7.579388 -2.194285\n-0.440185 -4.423130 7.661085\nCa U S\n4 4 8\ndirect\n0.145587 0.895588 0.249999 Ca\n0.354412 0.604412 0.750000 Ca\n0.249999 0.104412 0.854412 Ca\n0.750000 0.395588 0.645588 Ca\n0.250000 0.596554 0.346553 U\n0.750000 0.903447 0.153446 U\n0.653446 0.403447 0.250000 U\n0.846553 0.096554 0.750000 U\n0.981140 0.256391 0.527199 S\n0.472801 0.953941 0.729192 S\n0.270807 0.243610 0.224749 S\n0.229192 0.453941 0.972801 S\n0.724749 0.743610 0.770807 S\n0.518860 0.046059 0.275251 S\n0.027198 0.756390 0.481139 S\n0.775250 0.546059 0.018860 S\n",
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{
"id": "jvasp-81285",
"created_at": "2022-09-04T14:37:18.749564Z",
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"structure_string": "Li1 Zn2 Cu1\n1.0\n-8.755180 -0.000000 -5.054805\n-8.388286 -0.035588 4.419327\n-5.697712 7.574504 -0.240884\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741250 -0.000000 -0.000000 Zn\n0.258750 -0.000000 -0.000000 Zn\n0.500000 -0.000000 -0.000000 Cu\n",
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},
{
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}
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