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"results": [
{
"id": "jvasp-21995",
"created_at": "2022-09-04T14:37:37.890112Z",
"updated_at": "2022-09-04T14:37:37.890135Z",
"structure_string": "Ba4 Zn8 Sb8\n1.0\n4.554816 0.000000 0.000000\n0.000000 10.633402 0.000000\n0.000000 0.000000 11.747515\nBa Zn Sb\n4 8 8\ndirect\n0.250000 0.746972 0.319838 Ba\n0.750001 0.253028 0.680162 Ba\n0.250000 0.246972 0.180162 Ba\n0.750001 0.753028 0.819838 Ba\n0.250000 0.556791 0.620672 Zn\n0.750001 0.443209 0.379329 Zn\n0.750001 0.943208 0.120671 Zn\n0.250000 0.056791 0.879329 Zn\n0.250000 0.096619 0.452361 Zn\n0.250000 0.596619 0.047639 Zn\n0.750001 0.403381 0.952361 Zn\n0.750001 0.903381 0.547639 Zn\n0.750001 0.026009 0.336990 Sb\n0.750001 0.650445 0.533904 Sb\n0.250000 0.349555 0.466097 Sb\n0.250000 0.849555 0.033903 Sb\n0.750001 0.150445 0.966097 Sb\n0.750001 0.526009 0.163011 Sb\n0.250000 0.473990 0.836990 Sb\n0.250000 0.973990 0.663011 Sb\n",
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"volume": 568.9696209013093,
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{
"id": "jvasp-66124",
"created_at": "2022-09-04T14:36:18.908302Z",
"updated_at": "2022-09-04T14:36:18.908332Z",
"structure_string": "Ba1 Zn1 Sb1\n1.0\n-0.000000 3.901111 3.901111\n3.901111 0.000000 3.901111\n3.901111 3.901111 0.000000\nBa Zn Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sb\n",
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"density_atomic": 0.0252654091765524,
"volume": 118.73941874585408,
"volume_molar": 23.83551644827053,
"formula_full": "Ba1 Zn1 Sb1",
"formula_reduced": "BaZnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0219009523809523,
"spacegroup": 216
},
{
"id": "jvasp-65485",
"created_at": "2022-09-04T14:35:49.210606Z",
"updated_at": "2022-09-04T14:35:49.210638Z",
"structure_string": "Ba1 Zn1 Pt2\n1.0\n3.356578 -0.000000 0.000000\n0.000000 3.356578 0.000000\n-0.000000 -0.000000 7.373531\nBa Zn Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.813485 Pt\n0.000000 0.000000 0.186515 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"chemical_system": "Ba-Pt-Zn",
"density": 11.85125873823093,
"density_atomic": 0.048149412606068163,
"volume": 83.07474138315634,
"volume_molar": 12.507194655249114,
"formula_full": "Ba1 Zn1 Pt2",
"formula_reduced": "BaZnPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7496697925000001,
"spacegroup": 123
},
{
"id": "jvasp-65454",
"created_at": "2022-09-04T14:36:12.064052Z",
"updated_at": "2022-09-04T14:36:12.064075Z",
"structure_string": "Ba1 Zn1 Pt2\n1.0\n3.356128 0.000000 0.000000\n0.000000 3.356128 0.000000\n-0.000000 0.000000 7.375602\nBa Zn Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.813494 Pt\n0.000000 0.000000 0.186505 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Pt"
],
"chemical_system": "Ba-Pt-Zn",
"density": 11.851108443031844,
"density_atomic": 0.0481488019852292,
"volume": 83.07579493311373,
"volume_molar": 12.507353270902641,
"formula_full": "Ba1 Zn1 Pt2",
"formula_reduced": "BaZnPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7496697925000001,
"spacegroup": 123
},
{
"id": "jvasp-66381",
"created_at": "2022-09-04T14:35:59.305852Z",
"updated_at": "2022-09-04T14:35:59.305872Z",
"structure_string": "Ba1 Zn1 Pb1\n1.0\n0.000000 3.904490 3.904490\n3.904490 0.000000 3.904490\n3.904490 3.904490 0.000000\nBa Zn Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 5.717974527229634,
"density_atomic": 0.02519987081664293,
"volume": 119.0482293273777,
"volume_molar": 23.89750647460762,
"formula_full": "Ba1 Zn1 Pb1",
"formula_reduced": "BaZnPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-49186",
"created_at": "2022-09-04T14:37:04.515349Z",
"updated_at": "2022-09-04T14:37:04.515382Z",
"structure_string": "Ba2 Zn2 P4 O14\n1.0\n5.363478 0.007016 0.036530\n-0.518990 7.313214 -0.013344\n-0.368040 -1.676956 7.434417\nBa Zn P O\n2 2 4 14\ndirect\n0.794336 0.725869 0.570759 Ba\n0.205665 0.274131 0.429242 Ba\n0.793861 0.888406 0.107544 Zn\n0.206139 0.111593 0.892457 Zn\n0.705589 0.316034 0.099313 P\n0.294411 0.683965 0.900688 P\n0.292379 0.769405 0.288506 P\n0.707621 0.230594 0.711495 P\n0.061254 0.885438 0.299575 O\n0.938747 0.114561 0.700426 O\n0.535343 0.896265 0.299600 O\n0.464658 0.103735 0.700401 O\n0.268951 0.625801 0.093268 O\n0.731049 0.374199 0.906733 O\n0.567092 0.765300 0.897904 O\n0.291958 0.652829 0.430360 O\n0.432908 0.234700 0.102097 O\n0.111271 0.841282 0.904034 O\n0.218055 0.513206 0.756526 O\n0.781946 0.486794 0.243475 O\n0.708042 0.347171 0.569641 O\n0.888730 0.158718 0.095967 O\n",
"nsites": 22,
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"elements": [
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"P",
"O"
],
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"density": 4.289372607207274,
"density_atomic": 0.07543372936439384,
"volume": 291.6467233606565,
"volume_molar": 7.983352819412062,
"formula_full": "Ba2 Zn2 P4 O14",
"formula_reduced": "BaZnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.080604715454545,
"spacegroup": 2
},
{
"id": "jvasp-69150",
"created_at": "2022-09-04T14:35:45.247464Z",
"updated_at": "2022-09-04T14:35:45.247492Z",
"structure_string": "Ba1 Zn1 P2\n1.0\n4.671682 0.000000 0.000000\n0.000000 4.671682 -0.000000\n0.000000 -0.000000 4.342197\nBa Zn P\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"P"
],
"chemical_system": "Ba-P-Zn",
"density": 4.637884587008617,
"density_atomic": 0.04220888916569264,
"volume": 94.76676783172009,
"volume_molar": 14.26747038132146,
"formula_full": "Ba1 Zn1 P2",
"formula_reduced": "BaZnP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0058618425,
"spacegroup": 123
},
{
"id": "jvasp-65412",
"created_at": "2022-09-04T14:35:50.735856Z",
"updated_at": "2022-09-04T14:35:50.735882Z",
"structure_string": "Ba1 Zn1 P2\n1.0\n3.304572 -3.305617 0.000000\n3.304572 3.305617 0.000000\n0.000000 0.000000 4.338564\nBa Zn P\n1 1 2\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
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"elements": [
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"Zn",
"P"
],
"chemical_system": "Ba-P-Zn",
"density": 4.636948256842303,
"density_atomic": 0.042200367725481906,
"volume": 94.7859039053983,
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"formula_full": "Ba1 Zn1 P2",
"formula_reduced": "BaZnP2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-15805",
"created_at": "2022-09-04T14:36:51.344784Z",
"updated_at": "2022-09-04T14:36:51.344812Z",
"structure_string": "Ba1 Zn2 P2\n1.0\n3.882189 -0.000000 -1.128567\n-0.328079 3.868301 -1.128567\n-0.004218 -0.004592 7.226993\nBa Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.499999 Zn\n0.750000 0.250000 0.499999 Zn\n0.639118 0.639118 0.278236 P\n0.360882 0.360882 0.721763 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-P-Zn",
"density": 5.052324583332698,
"density_atomic": 0.046086790224537724,
"volume": 108.4909575095095,
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"formula_full": "Ba1 Zn2 P2",
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"spacegroup": 139
},
{
"id": "jvasp-109025",
"created_at": "2022-09-04T14:38:15.814370Z",
"updated_at": "2022-09-04T14:38:15.814380Z",
"structure_string": "Ba1 Zn1 O3\n1.0\n4.065266 -0.000000 0.000000\n0.000000 4.065266 0.000000\n0.000000 -0.000000 4.065266\nBa Zn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"volume": 67.18416181943826,
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"formula_full": "Ba1 Zn1 O3",
"formula_reduced": "BaZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8255333999999995,
"spacegroup": 221
},
{
"id": "jvasp-9587",
"created_at": "2022-09-04T14:38:08.175253Z",
"updated_at": "2022-09-04T14:38:08.175284Z",
"structure_string": "Ba3 Zn3 O6\n1.0\n2.969201 -5.142807 -0.000000\n2.969201 5.142807 0.000000\n0.000000 -0.000000 6.797697\nBa Zn O\n3 3 6\ndirect\n0.654280 0.654280 0.000000 Ba\n-0.000000 0.345720 0.666667 Ba\n0.345720 -0.000000 0.333333 Ba\n0.412362 -0.000000 0.833333 Zn\n-0.000000 0.412362 0.166667 Zn\n0.587638 0.587638 0.500000 Zn\n0.124706 0.701909 0.958398 O\n0.577203 0.875294 0.625065 O\n0.298091 0.422797 0.291731 O\n0.701909 0.124706 0.041603 O\n0.422797 0.298091 0.708269 O\n0.875294 0.577203 0.374936 O\n",
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"volume": 207.60204279848796,
"volume_molar": 10.418406031633655,
"formula_full": "Ba3 Zn3 O6",
"formula_reduced": "BaZnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2044408749999999,
"spacegroup": 152
},
{
"id": "jvasp-117617",
"created_at": "2022-09-04T14:38:46.536793Z",
"updated_at": "2022-09-04T14:38:46.536819Z",
"structure_string": "Ba1 Zn1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Zn O\n1 1 1\ndirect\n0.387384 0.002350 0.000000 Ba\n-0.016919 -0.063009 0.000000 Zn\n0.049831 0.273038 0.000000 O\n",
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"formula_full": "Ba1 Zn1 O1",
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"spacegroup": 6
}
]
}