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{
"id": "jvasp-65603",
"created_at": "2022-09-04T14:35:58.589981Z",
"updated_at": "2022-09-04T14:35:58.590009Z",
"structure_string": "K2 Ba1 Bi1\n1.0\n4.959370 -0.000000 -0.000000\n0.000000 4.959370 -0.000000\n0.000000 -0.000000 7.519060\nK Ba Bi\n2 1 1\ndirect\n-0.000000 0.000000 0.703111 K\n-0.000000 0.000000 0.296889 K\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Bi\n",
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{
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"structure_string": "Na4 Mg2 Pb2\n1.0\n-2.560589 -4.434920 0.000000\n-2.560589 4.434920 -0.000000\n0.000000 0.000000 -10.116342\nNa Mg Pb\n4 2 2\ndirect\n0.666675 0.333326 0.078895 Na\n0.333326 0.666675 0.921104 Na\n0.333326 0.666675 0.578895 Na\n0.666675 0.333326 0.421105 Na\n-0.000012 0.000012 0.750000 Mg\n0.000012 -0.000012 0.250000 Mg\n0.666655 0.333346 0.750000 Pb\n0.333346 0.666655 0.250000 Pb\n",
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{
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"structure_string": "Mg6 Cd1 Ga1\n1.0\n6.217333 -0.133603 0.000000\n-3.224370 5.584772 0.000000\n0.000000 0.000000 5.007211\nMg Cd Ga\n6 1 1\ndirect\n0.671923 0.336103 0.250000 Mg\n0.671923 0.835820 0.250000 Mg\n0.326743 0.159590 0.750000 Mg\n0.326743 0.667154 0.750000 Mg\n0.832154 0.166078 0.750000 Mg\n0.833542 0.666772 0.750000 Mg\n0.170544 0.335271 0.250000 Cd\n0.166425 0.833211 0.250000 Ga\n",
"nsites": 8,
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"density": 3.171696391965328,
"density_atomic": 0.04659146034808706,
"volume": 171.70528548003458,
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"formula_full": "Mg6 Cd1 Ga1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-69125",
"created_at": "2022-09-04T14:35:52.205737Z",
"updated_at": "2022-09-04T14:35:52.205757Z",
"structure_string": "Ba2 Cd1 Br1\n1.0\n0.000000 4.215058 4.215058\n4.215058 0.000000 4.215058\n4.215058 4.215058 0.000000\nBa Cd Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"volume": 149.77545948137595,
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"spacegroup": 225
},
{
"id": "jvasp-1318",
"created_at": "2022-09-04T14:35:58.817397Z",
"updated_at": "2022-09-04T14:35:58.817423Z",
"structure_string": "Ca1 Te1\n1.0\n3.889732 -0.000000 2.245738\n1.296578 3.667274 2.245738\n-0.000000 -0.000000 4.491475\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500000 Te\n",
"nsites": 2,
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"elements": [
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{
"id": "jvasp-2157",
"created_at": "2022-09-04T14:35:52.226503Z",
"updated_at": "2022-09-04T14:35:52.226537Z",
"structure_string": "Sb2 F6\n1.0\n4.367152 -0.020172 0.000000\n-1.730556 4.009688 0.000000\n0.000000 0.000000 7.150453\nSb F\n2 6\ndirect\n0.205662 0.790590 0.250000 Sb\n0.790589 0.205663 0.750000 Sb\n0.315356 0.380898 0.250000 F\n0.380898 0.315356 0.750000 F\n0.976715 0.588033 0.932154 F\n0.588031 0.976716 0.067845 F\n0.976715 0.588033 0.567845 F\n0.588031 0.976716 0.432155 F\n",
"nsites": 8,
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{
"id": "jvasp-3546",
"created_at": "2022-09-04T14:36:03.142787Z",
"updated_at": "2022-09-04T14:36:03.142808Z",
"structure_string": "K2 Pd1 Cl4\n1.0\n7.013542 0.000000 0.000000\n0.000000 7.013542 0.000000\n0.000000 0.000000 4.047417\nK Pd Cl\n2 1 4\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.764725 0.235275 0.000000 Cl\n0.235275 0.235275 0.000000 Cl\n0.764725 0.764725 0.000000 Cl\n0.235275 0.764725 0.000000 Cl\n",
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"volume": 199.0915169328548,
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},
{
"id": "jvasp-66580",
"created_at": "2022-09-04T14:35:58.705146Z",
"updated_at": "2022-09-04T14:35:58.705165Z",
"structure_string": "Ba1 Hg1 Br1\n1.0\n-0.000000 3.927508 3.927508\n3.927508 -0.000000 3.927508\n3.927508 3.927508 0.000000\nBa Hg Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"spacegroup": 216
},
{
"id": "jvasp-93717",
"created_at": "2022-09-04T14:35:52.259213Z",
"updated_at": "2022-09-04T14:35:52.259233Z",
"structure_string": "Mg1 Cd5\n1.0\n3.281319 -0.000000 0.000000\n-1.640661 2.841706 0.000000\n0.000000 -0.000000 14.378961\nMg Cd\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.837109 Cd\n0.000000 0.000000 0.668351 Cd\n0.666668 0.333333 0.500000 Cd\n0.000000 0.000000 0.331649 Cd\n0.666668 0.333333 0.162891 Cd\n",
"nsites": 6,
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},
{
"id": "jvasp-90460",
"created_at": "2022-09-04T14:35:49.278875Z",
"updated_at": "2022-09-04T14:35:49.278895Z",
"structure_string": "Sr1 Hf1 Mg6\n1.0\n6.359079 -1.702624 0.000000\n-4.654055 8.061061 0.000000\n0.000000 0.000000 4.664325\nSr Hf Mg\n1 1 6\ndirect\n0.249983 0.374991 0.250000 Sr\n0.250020 0.875008 0.250000 Hf\n0.750030 0.375035 0.250000 Mg\n0.750030 0.874994 0.250000 Mg\n0.249997 0.103966 0.750001 Mg\n0.249998 0.646033 0.750001 Mg\n0.707950 0.103975 0.750001 Mg\n0.791998 0.646000 0.750001 Mg\n",
"nsites": 8,
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},
{
"id": "jvasp-91638",
"created_at": "2022-09-04T14:35:58.446204Z",
"updated_at": "2022-09-04T14:35:58.446241Z",
"structure_string": "Mg6 Au2\n1.0\n-2.343495 -4.059211 0.000000\n-2.343495 4.059211 -0.000000\n0.000000 0.000000 -8.494235\nMg Au\n6 2\ndirect\n0.000008 0.999989 0.750000 Mg\n0.999989 0.000008 0.250000 Mg\n0.666668 0.333330 0.076632 Mg\n0.333330 0.666668 0.923368 Mg\n0.333330 0.666668 0.576632 Mg\n0.666668 0.333330 0.423368 Mg\n0.666684 0.333314 0.750000 Au\n0.333314 0.666684 0.250000 Au\n",
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{
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}