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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3864",
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{
"id": "jvasp-54749",
"created_at": "2022-09-04T14:38:31.694455Z",
"updated_at": "2022-09-04T14:38:31.694482Z",
"structure_string": "Ba2 H8 O12\n1.0\n6.029566 -0.278567 0.124553\n-0.722046 5.989117 -0.026641\n-0.195366 -0.619690 6.553959\nBa H O\n2 8 12\ndirect\n0.145465 0.809812 0.259600 Ba\n0.876915 0.206802 0.816626 Ba\n0.905733 0.660367 0.709077 H\n0.638567 0.056873 0.227247 H\n0.637712 0.728185 0.991160 H\n0.540666 0.126272 0.519181 H\n0.374660 0.304991 0.089816 H\n0.669474 0.657596 0.434910 H\n0.074648 0.356381 0.387695 H\n0.345271 0.964552 0.786505 H\n0.545783 0.109079 0.105893 O\n0.871367 0.541731 0.545586 O\n0.568135 0.770055 0.418484 O\n0.243972 0.387879 0.084215 O\n0.440454 0.210169 0.611215 O\n0.939162 0.759982 0.875939 O\n0.731535 0.983323 0.407786 O\n0.068822 0.236199 0.188972 O\n0.264373 0.026287 0.667795 O\n0.094516 0.465928 0.526853 O\n0.764248 0.631453 -0.002053 O\n0.478718 0.900499 0.962709 O\n",
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{
"id": "jvasp-1405",
"created_at": "2022-09-04T14:36:01.242232Z",
"updated_at": "2022-09-04T14:36:01.242243Z",
"structure_string": "Ca1 O1\n1.0\n2.945310 0.000000 1.700475\n0.981770 2.776865 1.700475\n0.000000 0.000000 3.400951\nCa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500002 O\n",
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"volume": 27.815454031278747,
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"spacegroup": 225
},
{
"id": "jvasp-102251",
"created_at": "2022-09-04T14:37:14.480380Z",
"updated_at": "2022-09-04T14:37:14.480410Z",
"structure_string": "V1 F4\n1.0\n4.599307 0.171580 0.000000\n-1.188119 4.446508 0.000000\n0.000000 0.000000 3.048377\nV F\n1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.755746 0.244255 0.000000 F\n0.213834 0.213834 0.500001 F\n0.786166 0.786166 0.500001 F\n0.244255 0.755746 0.000000 F\n",
"nsites": 5,
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"elements": [
"V",
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],
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"density": 3.3476730291156076,
"density_atomic": 0.0794112746349436,
"volume": 62.96335152640698,
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"formula_full": "V1 F4",
"formula_reduced": "VF4",
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},
{
"id": "jvasp-81992",
"created_at": "2022-09-04T14:37:18.930081Z",
"updated_at": "2022-09-04T14:37:18.930113Z",
"structure_string": "Br2 Cl2\n1.0\n3.236081 2.262147 0.000000\n-3.236081 2.262147 0.000000\n0.000000 0.000000 7.816697\nBr Cl\n2 2\ndirect\n0.000541 0.000541 0.374871 Br\n0.999460 0.999460 0.874872 Br\n0.681421 0.681421 0.625129 Cl\n0.318580 0.318580 0.125129 Cl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Br-Cl",
"density": 3.347569222719268,
"density_atomic": 0.034951555727048944,
"volume": 114.44411891812894,
"volume_molar": 17.229964831978783,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-85041",
"created_at": "2022-09-04T14:36:32.041593Z",
"updated_at": "2022-09-04T14:36:32.041623Z",
"structure_string": "Br2 Cl2\n1.0\n3.236081 2.262147 0.000000\n-3.236081 2.262147 0.000000\n0.000000 0.000000 7.816697\nBr Cl\n2 2\ndirect\n0.000541 0.000541 0.374871 Br\n0.999460 0.999460 0.874872 Br\n0.681421 0.681421 0.625129 Cl\n0.318580 0.318580 0.125129 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
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"density": 3.347569222719268,
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"volume": 114.44411891812894,
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"formula_full": "Br2 Cl2",
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"spacegroup": 63
},
{
"id": "jvasp-110757",
"created_at": "2022-09-04T14:38:36.794492Z",
"updated_at": "2022-09-04T14:38:36.794527Z",
"structure_string": "Ca6 Lu2\n1.0\n7.445479 0.000000 0.000000\n-3.722740 6.447973 0.000000\n-0.000000 -0.000000 6.100322\nCa Lu\n6 2\ndirect\n0.341474 0.170737 0.750000 Ca\n0.829263 0.658525 0.750000 Ca\n0.170737 0.829262 0.250000 Ca\n0.658525 0.829262 0.250000 Ca\n0.170737 0.341474 0.250000 Ca\n0.829263 0.170737 0.750000 Ca\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666666 0.750000 Lu\n",
"nsites": 8,
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"volume": 292.8657687965243,
"volume_molar": 22.045986043478564,
"formula_full": "Ca6 Lu2",
"formula_reduced": "Ca3Lu",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-49205",
"created_at": "2022-09-04T14:37:19.813002Z",
"updated_at": "2022-09-04T14:37:19.813025Z",
"structure_string": "Zn4 P16\n1.0\n5.061528 -0.000000 -0.000000\n0.000000 5.061528 0.000000\n0.000000 -0.000000 14.661577\nZn P\n4 16\ndirect\n0.804829 0.804829 0.500000 Zn\n0.695172 0.304829 0.750000 Zn\n0.304829 0.695172 0.250000 Zn\n0.195171 0.195171 0.000000 Zn\n0.427622 0.180645 0.451522 P\n0.680645 0.072378 0.201522 P\n0.013299 0.897558 0.125203 P\n0.986701 0.102443 0.625203 P\n0.897558 0.013299 0.874798 P\n0.397557 0.486701 0.875203 P\n0.602443 0.513299 0.375203 P\n0.513299 0.602443 0.624798 P\n0.572378 0.819355 0.951522 P\n0.102443 0.986701 0.374798 P\n0.819355 0.572378 0.048478 P\n0.319355 0.927622 0.701522 P\n0.072378 0.680645 0.798479 P\n0.927622 0.319355 0.298478 P\n0.486701 0.397557 0.124798 P\n0.180645 0.427622 0.548478 P\n",
"nsites": 20,
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"elements": [
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"chemical_system": "P-Zn",
"density": 3.3475341541962647,
"density_atomic": 0.05324588167930799,
"volume": 375.6159043521341,
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"formula_full": "Zn4 P16",
"formula_reduced": "ZnP4",
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"spacegroup": 92
},
{
"id": "jvasp-66099",
"created_at": "2022-09-04T14:35:48.586071Z",
"updated_at": "2022-09-04T14:35:48.586107Z",
"structure_string": "Ba1 Li1 Cd1\n1.0\n0.000000 3.992966 3.992966\n3.992966 -0.000000 3.992966\n3.992966 3.992966 -0.000000\nBa Li Cd\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Li\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
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"Cd"
],
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"density_atomic": 0.023561580666932286,
"volume": 127.32592275569938,
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"formula_full": "Ba1 Li1 Cd1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-91637",
"created_at": "2022-09-04T14:35:51.644173Z",
"updated_at": "2022-09-04T14:35:51.644189Z",
"structure_string": "As1 N1 F6\n1.0\n3.867658 2.232993 1.942571\n-3.867658 2.232992 1.942571\n0.000000 -4.465987 1.942571\nAs N F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 As\n0.499999 0.499999 0.500000 N\n0.656461 0.779197 0.018572 F\n0.779197 0.018571 0.656462 F\n0.018571 0.656461 0.779198 F\n0.343539 0.220802 -0.018571 F\n0.220802 -0.018572 0.343539 F\n-0.018572 0.343539 0.220802 F\n",
"nsites": 8,
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"volume": 100.66154915907275,
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"formula_full": "As1 N1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-94123",
"created_at": "2022-09-04T14:35:54.355117Z",
"updated_at": "2022-09-04T14:35:54.355137Z",
"structure_string": "Mg6 Cd1 Co1\n1.0\n6.097999 0.040227 0.000000\n-3.014161 5.301135 0.000000\n0.000000 0.000000 4.849302\nMg Cd Co\n6 1 1\ndirect\n0.165160 0.835464 0.250000 Mg\n0.664536 0.334840 0.250000 Mg\n0.664213 0.835787 0.250000 Mg\n0.328029 0.638392 0.750000 Mg\n0.861608 0.171971 0.750000 Mg\n0.836571 0.663430 0.750000 Mg\n0.334737 0.165263 0.750000 Cd\n0.145147 0.354853 0.250000 Co\n",
"nsites": 8,
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],
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"density": 3.3472301899804595,
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},
{
"id": "jvasp-115500",
"created_at": "2022-09-04T14:38:44.066301Z",
"updated_at": "2022-09-04T14:38:44.066329Z",
"structure_string": "B2 S1 O2\n1.0\n2.539718 -0.000000 -0.000000\n-1.269859 2.199460 -0.000000\n0.000000 0.000000 7.609790\nB S O\n2 1 2\ndirect\n0.666668 0.333334 0.255798 B\n0.333334 0.666667 0.744201 B\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.325801 O\n0.666668 0.333334 0.674198 O\n",
"nsites": 5,
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"volume": 42.50834897713883,
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"formula_full": "B2 S1 O2",
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"spacegroup": 164
},
{
"id": "jvasp-114784",
"created_at": "2022-09-04T14:38:42.000732Z",
"updated_at": "2022-09-04T14:38:42.000752Z",
"structure_string": "Na1 Sb1 Cl2\n1.0\n4.214555 0.000000 -0.000000\n-0.000000 4.214555 -0.000000\n0.000000 0.000000 6.023627\nNa Sb Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502657 Na\n0.000000 0.000000 0.002406 Sb\n0.000000 0.000000 0.502353 Cl\n0.500000 0.500000 0.002586 Cl\n",
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}