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{
"id": "jvasp-101472",
"created_at": "2022-09-04T14:36:56.325649Z",
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"structure_string": "Mg2 Cd2 Te4\n1.0\n5.951425 0.000757 -5.339196\n-1.185008 5.832256 -5.339196\n-0.000619 -0.000757 7.995403\nMg Cd Te\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750000 0.499999 Cd\n0.500000 0.500001 0.000000 Cd\n0.632536 0.625000 0.507536 Te\n0.117464 0.125000 0.492463 Te\n0.875000 0.367464 0.992463 Te\n0.375000 0.882537 0.007536 Te\n",
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{
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"structure_string": "Ba1 Sr1 Tl2\n1.0\n5.906909 0.000000 0.000000\n0.000000 5.906909 0.000000\n-0.000000 0.000000 4.135943\nBa Sr Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n",
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{
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"structure_string": "Ga1 Hg3\n1.0\n4.508896 0.000000 2.603212\n1.502965 4.251028 2.603212\n0.000000 0.000000 5.206425\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.749999 Hg\n0.500001 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"volume": 99.7938551766648,
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"formula_full": "Ga1 Hg3",
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"spacegroup": 225
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{
"id": "jvasp-37504",
"created_at": "2022-09-04T14:38:02.426954Z",
"updated_at": "2022-09-04T14:38:02.426978Z",
"structure_string": "Yb2 Ag1 Pd1\n1.0\n-0.000000 3.504537 3.504537\n3.504537 0.000000 3.504537\n3.504537 3.504537 0.000000\nYb Ag Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ag\n0.750001 0.750001 0.750001 Pd\n",
"nsites": 4,
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],
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"density": 10.809376278372813,
"density_atomic": 0.04646629519566719,
"volume": 86.08390195853156,
"volume_molar": 12.96023436910792,
"formula_full": "Yb2 Ag1 Pd1",
"formula_reduced": "Yb2AgPd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-77182",
"created_at": "2022-09-04T14:37:08.505986Z",
"updated_at": "2022-09-04T14:37:08.506010Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-12.492306 3.914293 -0.820423\n-8.949514 1.186811 2.127990\n-7.403098 5.560735 -0.550480\nCa Zn Pb\n2 1 1\ndirect\n0.750039 -0.000028 -0.000029 Ca\n0.249961 0.000029 0.000028 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000001 -0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"volume": 108.65745372488225,
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"formula_full": "Ca2 Zn1 Pb1",
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},
{
"id": "jvasp-65532",
"created_at": "2022-09-04T14:35:47.047346Z",
"updated_at": "2022-09-04T14:35:47.047375Z",
"structure_string": "Ba1 Sr1 Tl2\n1.0\n5.901085 -0.000000 -0.000000\n-0.000000 5.901085 -0.000000\n0.000000 0.000000 4.144477\nBa Sr Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n",
"nsites": 4,
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"volume": 144.32231098801296,
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{
"id": "jvasp-106036",
"created_at": "2022-09-04T14:35:42.046428Z",
"updated_at": "2022-09-04T14:35:42.046458Z",
"structure_string": "Mg1 Cd1 Te2\n1.0\n4.419771 -0.000669 6.635929\n2.007121 3.937745 6.635929\n-0.001092 -0.000669 7.973075\nMg Cd Te\n1 1 2\ndirect\n0.498940 0.498941 0.498940 Mg\n0.000675 0.000675 0.000675 Cd\n0.127092 0.127092 0.127092 Te\n0.623292 0.623293 0.623292 Te\n",
"nsites": 4,
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{
"id": "jvasp-81558",
"created_at": "2022-09-04T14:37:13.310215Z",
"updated_at": "2022-09-04T14:37:13.310253Z",
"structure_string": "Na1 Cd2 Rh1\n1.0\n-4.010991 -4.469014 -9.916601\n-3.246689 -2.861392 -1.912328\n-1.859915 1.029366 -4.227275\nNa Cd Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.750004 0.000015 0.000014 Cd\n0.249995 -0.000015 -0.000013 Cd\n0.500000 -0.000000 0.000000 Rh\n",
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{
"id": "jvasp-24626",
"created_at": "2022-09-04T14:37:10.222276Z",
"updated_at": "2022-09-04T14:37:10.222286Z",
"structure_string": "Na1 H1 F2\n1.0\n3.236346 0.009369 3.876004\n1.411899 2.912141 3.876004\n0.014906 0.009369 5.049467\nNa H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.499998 H\n0.582438 0.582437 0.582434 F\n0.417565 0.417564 0.417562 F\n",
"nsites": 4,
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},
{
"id": "jvasp-22530",
"created_at": "2022-09-04T14:36:52.712176Z",
"updated_at": "2022-09-04T14:36:52.712186Z",
"structure_string": "Na1 H1 F2\n1.0\n3.236346 0.009370 3.876006\n1.411900 2.912140 3.876006\n0.014907 0.009370 5.049468\nNa H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.500000 H\n0.582438 0.582437 0.582437 F\n0.417564 0.417564 0.417564 F\n",
"nsites": 4,
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},
{
"id": "jvasp-16154",
"created_at": "2022-09-04T14:35:57.856604Z",
"updated_at": "2022-09-04T14:35:57.856615Z",
"structure_string": "Yb2 Cu2 Sb2\n1.0\n2.226709 -3.856774 0.000000\n2.226709 3.856774 -0.000000\n0.000000 0.000000 7.886026\nYb Cu Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n",
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},
{
"id": "jvasp-81198",
"created_at": "2022-09-04T14:37:16.942775Z",
"updated_at": "2022-09-04T14:37:16.942785Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-11.507634 0.000000 -6.643937\n-7.524635 -1.562723 -0.254823\n-5.607415 3.859992 -3.575544\nSr Cd Hg\n2 1 1\ndirect\n0.741372 -0.000001 -0.000001 Sr\n0.258629 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 -0.000001 -0.000000 Hg\n",
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