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"id": "jvasp-102920",
"created_at": "2022-09-04T14:37:03.111096Z",
"updated_at": "2022-09-04T14:37:03.111116Z",
"structure_string": "Br2 Cl3\n1.0\n5.646838 -0.393385 -0.516580\n-0.528836 5.635767 -0.516580\n-0.384052 -0.393385 5.657397\nBr Cl\n2 3\ndirect\n0.781587 0.781586 0.781587 Br\n0.218413 0.218413 0.218413 Br\n0.000000 -0.000000 0.500000 Cl\n0.500000 -0.000000 -0.000000 Cl\n-0.000000 0.500000 0.000000 Cl\n",
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{
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"structure_string": "Be1 Ga1 Hg1\n1.0\n-1.472602 1.472602 5.895877\n1.472602 -1.472602 5.895877\n1.472602 1.472602 -5.895877\nBe Ga Hg\n1 1 1\ndirect\n0.991224 0.991224 0.000000 Be\n0.363329 0.363329 0.000000 Ga\n0.645448 0.645448 0.000000 Hg\n",
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{
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"structure_string": "Li1 Zn1 Sb1\n1.0\n3.921161 -0.000000 2.263883\n1.307054 3.696906 2.263883\n-0.000000 0.000000 4.527767\nLi Zn Sb\n1 1 1\ndirect\n0.499999 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sb\n",
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{
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"structure_string": "Pr2 In8 Ni2\n1.0\n8.781204 -0.027907 0.000000\n-7.620688 4.362963 0.000000\n-0.000000 -0.000000 7.246052\nPr In Ni\n2 8 2\ndirect\n0.882932 0.117067 0.750000 Pr\n0.117067 0.882932 0.250000 Pr\n0.499999 0.499999 -0.000000 In\n0.499999 0.499999 0.500000 In\n0.074658 0.925340 0.750000 In\n0.925340 0.074659 0.250000 In\n0.688395 0.311603 0.953737 In\n0.311603 0.688395 0.046262 In\n0.688395 0.311603 0.546262 In\n0.311603 0.688395 0.453737 In\n0.225025 0.774974 0.750000 Ni\n0.774974 0.225025 0.250000 Ni\n",
"nsites": 12,
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"elements": [
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"density": 7.926131651484217,
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{
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"created_at": "2022-09-04T14:35:52.363762Z",
"updated_at": "2022-09-04T14:35:52.363789Z",
"structure_string": "Ca1 Be1 Tl2\n1.0\n-2.267242 2.267242 4.733714\n2.267242 -2.267242 4.733714\n2.267242 2.267242 -4.733714\nCa Be Tl\n1 1 2\ndirect\n0.749999 0.250000 0.500000 Ca\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.749999 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-20890",
"created_at": "2022-09-04T14:38:19.757556Z",
"updated_at": "2022-09-04T14:38:19.757584Z",
"structure_string": "Na2 B2 F8\n1.0\n4.581032 -0.001963 0.000000\n-0.446285 4.559242 0.000000\n0.000000 0.000000 6.785924\nNa B F\n2 2 8\ndirect\n0.353364 0.353363 0.250000 Na\n0.646637 0.646637 0.750000 Na\n0.850498 0.850498 0.250000 B\n0.149503 0.149503 0.750000 B\n0.715293 0.715293 0.418840 F\n0.284707 0.284707 0.918840 F\n0.715293 0.715293 0.081160 F\n0.284707 0.284707 0.581159 F\n0.184651 0.846298 0.750000 F\n0.815350 0.153703 0.250000 F\n0.846298 0.184651 0.750000 F\n0.153703 0.815349 0.250000 F\n",
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{
"id": "jvasp-101525",
"created_at": "2022-09-04T14:37:07.793469Z",
"updated_at": "2022-09-04T14:37:07.793495Z",
"structure_string": "Cu1 Br2\n1.0\n4.827457 0.000000 0.000000\n0.000000 4.827457 0.000000\n0.000000 0.000000 3.868835\nCu Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 -0.000000 Br\n0.500000 0.000000 -0.000000 Br\n",
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{
"id": "jvasp-64784",
"created_at": "2022-09-04T14:35:47.104767Z",
"updated_at": "2022-09-04T14:35:47.104799Z",
"structure_string": "Ba4 Ni1 Br1\n1.0\n-0.000000 5.732542 5.732542\n5.732542 -0.000000 5.732542\n5.732542 5.732542 -0.000000\nBa Ni Br\n4 1 1\ndirect\n0.124263 0.625245 0.625245 Ba\n0.625245 0.625245 0.625245 Ba\n0.625245 0.124263 0.625245 Ba\n0.625245 0.625245 0.124263 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Br\n",
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"volume": 376.76602357909786,
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"formula_full": "Ba4 Ni1 Br1",
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"spacegroup": 216
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{
"id": "jvasp-37511",
"created_at": "2022-09-04T14:38:01.821092Z",
"updated_at": "2022-09-04T14:38:01.821124Z",
"structure_string": "Yb3 Mg1\n1.0\n-0.000000 4.032549 4.032549\n4.032549 0.000000 4.032549\n4.032549 4.032549 0.000000\nYb Mg\n3 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Mg\n",
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"spacegroup": 225
},
{
"id": "jvasp-117603",
"created_at": "2022-09-04T14:38:52.094076Z",
"updated_at": "2022-09-04T14:38:52.094096Z",
"structure_string": "Ba1 Mg1 Se2\n1.0\n4.325514 0.000000 0.000000\n0.000000 4.325514 0.000000\n-0.000000 0.000000 6.713278\nBa Mg Se\n1 1 2\ndirect\n0.500000 0.500000 0.521913 Ba\n0.000000 0.000000 0.054220 Mg\n0.000000 0.000000 0.431375 Se\n0.500000 0.500000 0.002493 Se\n",
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},
{
"id": "jvasp-16455",
"created_at": "2022-09-04T14:37:59.079917Z",
"updated_at": "2022-09-04T14:37:59.079932Z",
"structure_string": "Ba2 Cd4\n1.0\n4.833396 -0.000000 2.073511\n2.316898 6.040284 1.269390\n0.033339 0.058106 6.592414\nBa Cd\n2 4\ndirect\n0.544104 0.705897 0.205896 Ba\n0.455897 0.294103 0.794102 Ba\n0.835234 0.722399 0.607135 Cd\n0.164767 0.277601 0.392864 Cd\n0.835234 0.107136 0.222398 Cd\n0.164768 0.892864 0.777601 Cd\n",
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{
"id": "jvasp-41098",
"created_at": "2022-09-04T14:38:12.543455Z",
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"structure_string": "Li1 Yb2 Pd1\n1.0\n-0.000000 3.526494 3.526494\n3.526494 0.000000 3.526494\n3.526494 3.526494 -0.000000\nYb Li Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Pd\n",
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