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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=711",
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{
"id": "jvasp-69062",
"created_at": "2022-09-04T14:36:20.325066Z",
"updated_at": "2022-09-04T14:36:20.325086Z",
"structure_string": "Ba1 V1 Br2\n1.0\n4.048849 0.000000 0.000000\n0.000000 4.049203 0.000000\n0.000000 0.000000 7.278258\nBa V Br\n1 1 2\ndirect\n0.500000 0.500000 0.768992 Ba\n0.000000 0.000000 0.384183 V\n0.000000 0.000000 0.007429 Br\n0.500000 0.500000 0.339397 Br\n",
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"volume": 119.32421243302294,
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"formula_full": "Ba1 V1 Br2",
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{
"id": "jvasp-64313",
"created_at": "2022-09-04T14:35:44.490331Z",
"updated_at": "2022-09-04T14:35:44.490357Z",
"structure_string": "Ba4 V1 Br1\n1.0\n0.000000 5.039870 5.039870\n5.039870 0.000000 5.039870\n5.039870 5.039870 0.000000\nBa V Br\n4 1 1\ndirect\n0.123626 0.625458 0.625458 Ba\n0.625458 0.625458 0.625458 Ba\n0.625458 0.123626 0.625458 Ba\n0.625458 0.625458 0.123626 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Br\n",
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"formula_full": "Ba4 V1 Br1",
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{
"id": "jvasp-65618",
"created_at": "2022-09-04T14:35:42.415309Z",
"updated_at": "2022-09-04T14:35:42.415329Z",
"structure_string": "Ba2 V1 Br1\n1.0\n-0.000000 4.163461 4.163461\n4.163461 -0.000000 4.163461\n4.163461 4.163461 0.000000\nBa V 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 V\n0.000000 0.000000 0.000000 Br\n",
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"density_atomic": 0.027711912113457166,
"volume": 144.34225915639948,
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"formula_full": "Ba2 V1 Br1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-63990",
"created_at": "2022-09-04T14:36:09.288265Z",
"updated_at": "2022-09-04T14:36:09.288286Z",
"structure_string": "Ba4 W1 Br1\n1.0\n-0.000000 4.984536 4.984536\n4.984536 -0.000000 4.984536\n4.984536 4.984536 0.000000\nBa W Br\n4 1 1\ndirect\n0.122993 0.625669 0.625669 Ba\n0.625669 0.625669 0.625669 Ba\n0.625669 0.122993 0.625669 Ba\n0.625669 0.625669 0.122993 Ba\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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"elements": [
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"W",
"Br"
],
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"density": 5.450837227589711,
"density_atomic": 0.024224066152524506,
"volume": 247.6875666629036,
"volume_molar": 24.860156515764817,
"formula_full": "Ba4 W1 Br1",
"formula_reduced": "Ba4WBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4176546641666663,
"spacegroup": 216
},
{
"id": "jvasp-66441",
"created_at": "2022-09-04T14:36:19.954072Z",
"updated_at": "2022-09-04T14:36:19.954093Z",
"structure_string": "Ba1 W1 Br1\n1.0\n-0.000000 3.995393 3.995393\n3.995393 0.000000 3.995393\n3.995393 3.995393 0.000000\nBa W Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.023518669323588277,
"volume": 127.55823719121392,
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"formula_full": "Ba1 W1 Br1",
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"spacegroup": 216
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{
"id": "jvasp-64310",
"created_at": "2022-09-04T14:35:40.932487Z",
"updated_at": "2022-09-04T14:35:40.932515Z",
"structure_string": "Ba1 Y1 Br1\n1.0\n0.000000 4.167884 4.167884\n4.167884 0.000000 4.167884\n4.167884 4.167884 -0.000000\nBa Y Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density": 3.5106524847721747,
"density_atomic": 0.020717835925385553,
"volume": 144.80276853260054,
"volume_molar": 29.067421818033974,
"formula_full": "Ba1 Y1 Br1",
"formula_reduced": "BaYBr",
"formula_anonymous": "ABC",
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"spacegroup": 216
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{
"id": "jvasp-52544",
"created_at": "2022-09-04T14:35:44.472641Z",
"updated_at": "2022-09-04T14:35:44.472675Z",
"structure_string": "Ba4 Y2 Br14\n1.0\n8.706621 4.279726 -0.477934\n-8.706621 4.279726 0.477934\n-6.415061 0.000000 8.799743\nBa Y Br\n4 2 14\ndirect\n0.306472 0.683647 0.721771 Ba\n0.316353 0.693528 0.221771 Ba\n0.683647 0.306472 0.778229 Ba\n0.693528 0.316353 0.278229 Ba\n0.963054 0.963054 0.750000 Y\n0.036947 0.036947 0.250000 Y\n0.927546 0.752694 0.063169 Br\n0.892754 0.641440 0.450771 Br\n0.399483 0.399483 0.250000 Br\n0.247307 0.072455 0.563169 Br\n0.641440 0.892754 0.049229 Br\n0.358561 0.107247 0.950770 Br\n0.107247 0.358561 0.549229 Br\n0.600518 0.600518 0.750000 Br\n0.688099 0.069408 0.652277 Br\n0.072455 0.247307 0.936831 Br\n0.311901 0.930593 0.347722 Br\n0.069408 0.688099 0.847722 Br\n0.752694 0.927546 0.436831 Br\n0.930593 0.311901 0.152278 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.868543783008239,
"density_atomic": 0.0317688178120782,
"volume": 629.548134850526,
"volume_molar": 18.956137416326648,
"formula_full": "Ba4 Y2 Br14",
"formula_reduced": "Ba2YBr7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0061366125,
"spacegroup": 15
},
{
"id": "jvasp-52373",
"created_at": "2022-09-04T14:36:34.600699Z",
"updated_at": "2022-09-04T14:36:34.600715Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n5.929508 3.917606 0.012137\n-5.929508 3.917606 -0.012137\n-4.314904 0.000000 10.433805\nBa Y Br\n2 2 10\ndirect\n0.485079 0.485078 0.750000 Ba\n0.514922 0.514922 0.250000 Ba\n0.000000 -0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.052227 0.620756 0.631126 Br\n0.791735 0.570904 0.024867 Br\n0.379244 0.947774 0.131125 Br\n0.056688 0.056687 0.750000 Br\n0.570904 0.791735 0.475134 Br\n0.429098 0.208266 0.524867 Br\n0.943314 0.943313 0.250000 Br\n0.620757 0.052226 0.868875 Br\n0.208266 0.429097 -0.024867 Br\n0.947775 0.379244 0.368875 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Y",
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],
"chemical_system": "Ba-Br-Y",
"density": 4.283535126398796,
"density_atomic": 0.028856817900781036,
"volume": 485.153978104463,
"volume_molar": 20.869039617278816,
"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.072983135,
"spacegroup": 15
},
{
"id": "jvasp-50888",
"created_at": "2022-09-04T14:36:45.878985Z",
"updated_at": "2022-09-04T14:36:45.879018Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n2.940637 10.049113 0.011971\n-2.940637 10.049113 -0.011971\n-0.386336 0.000000 7.143737\nBa Y Br\n2 2 10\ndirect\n0.671231 0.671232 0.750000 Ba\n0.328768 0.328768 0.250000 Ba\n0.922448 0.922449 0.750000 Y\n0.077551 0.077551 0.250000 Y\n0.277038 0.784702 0.596027 Br\n0.215298 0.722961 0.096026 Br\n0.195977 0.181673 0.995438 Br\n0.369122 0.369123 0.750000 Br\n0.181672 0.195978 0.504563 Br\n0.818326 0.804022 0.495438 Br\n0.630877 0.630877 0.250000 Br\n0.804022 0.818326 0.004562 Br\n0.784701 0.277039 0.903974 Br\n0.722961 0.215299 0.403974 Br\n",
"nsites": 14,
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],
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"density": 4.921094756832806,
"density_atomic": 0.03315185497026594,
"volume": 422.2991447252852,
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"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
"formula_anonymous": "ABC5",
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"spacegroup": 15
},
{
"id": "jvasp-65737",
"created_at": "2022-09-04T14:36:08.035732Z",
"updated_at": "2022-09-04T14:36:08.035753Z",
"structure_string": "Ba1 Zn4 Br1\n1.0\n0.000000 4.216839 4.216839\n4.216839 0.000000 4.216839\n4.216839 4.216839 -0.000000\nBa Zn Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.115973 0.628009 0.628009 Zn\n0.628009 0.628009 0.628009 Zn\n0.628009 0.115973 0.628009 Zn\n0.628009 0.628009 0.115973 Zn\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
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"Zn",
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],
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"density": 5.302405679465352,
"density_atomic": 0.040009230177981046,
"volume": 149.96539481787082,
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"formula_full": "Ba1 Zn4 Br1",
"formula_reduced": "BaZn4Br",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-63906",
"created_at": "2022-09-04T14:36:21.996010Z",
"updated_at": "2022-09-04T14:36:21.996025Z",
"structure_string": "Ba1 Zr1 Br1\n1.0\n0.000000 4.019786 4.019786\n4.019786 -0.000000 4.019786\n4.019786 4.019786 0.000000\nBa Zr Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Br\n",
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"volume": 129.90886715097992,
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"formula_full": "Ba1 Zr1 Br1",
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"formula_anonymous": "ABC",
"energy_above_hull": 1.3734781916666667,
"spacegroup": 216
},
{
"id": "jvasp-35776",
"created_at": "2022-09-04T14:37:18.868150Z",
"updated_at": "2022-09-04T14:37:18.868175Z",
"structure_string": "Ba1 C2\n1.0\n2.607734 1.505576 2.473178\n-2.607734 1.505576 2.473178\n-0.000000 -3.011151 2.473178\nBa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.585007 0.585007 0.585005 C\n0.414995 0.414995 0.414994 C\n",
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"volume": 58.26027113292634,
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"formula_full": "Ba1 C2",
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"spacegroup": 166
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}