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"results": [
{
"id": "jvasp-85723",
"created_at": "2022-09-04T14:35:49.000096Z",
"updated_at": "2022-09-04T14:35:49.000123Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n4.959122 -0.636696 -1.747931\n-2.079829 7.314735 -0.143363\n-1.671764 1.759039 6.807201\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.540793 0.749055 0.437851 K\n0.459206 0.250944 0.562149 K\n0.000000 0.000000 0.000000 Mg\n0.354945 0.704043 0.887016 Mo\n0.645055 0.295956 0.112984 Mo\n0.168828 0.379839 0.080216 H\n0.831172 0.620160 0.919785 H\n0.888308 0.678169 0.272831 H\n0.111692 0.321830 0.727169 H\n0.829956 0.192238 0.040666 O\n0.170044 0.807760 0.959334 O\n0.184480 0.210503 0.825030 O\n0.815520 0.789495 0.174970 O\n0.530155 0.893736 0.746546 O\n0.616675 0.533354 0.872224 O\n0.469845 0.106263 0.253454 O\n0.020859 0.566204 0.677300 O\n0.383325 0.466644 0.127777 O\n-0.020858 0.433795 0.322700 O\n",
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"density_atomic": 0.08480896684786834,
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"volume_molar": 7.10083023508895,
"formula_full": "K2 Mg1 Mo2 H4 O10",
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"formula_anonymous": "AB2C2D4E10",
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"spacegroup": 2
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{
"id": "jvasp-102224",
"created_at": "2022-09-04T14:36:57.701945Z",
"updated_at": "2022-09-04T14:36:57.701966Z",
"structure_string": "Cd1 Pb3 Se4\n1.0\n4.280142 0.020231 13.573881\n2.106206 3.726114 13.573881\n0.034488 0.020231 14.232662\nCd Pb Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.253270 0.253269 0.253270 Pb\n0.500001 0.499999 0.500000 Pb\n0.746732 0.746729 0.746730 Pb\n0.123294 0.123294 0.123294 Se\n0.369403 0.369401 0.369402 Se\n0.630599 0.630597 0.630598 Se\n0.876708 0.876704 0.876706 Se\n",
"nsites": 8,
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"elements": [
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"Pb",
"Se"
],
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"density": 7.780990747471495,
"density_atomic": 0.03570656906530482,
"volume": 224.0484092820164,
"volume_molar": 16.865638221879916,
"formula_full": "Cd1 Pb3 Se4",
"formula_reduced": "CdPb3Se4",
"formula_anonymous": "AB3C4",
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"spacegroup": 166
},
{
"id": "jvasp-45901",
"created_at": "2022-09-04T14:38:07.287382Z",
"updated_at": "2022-09-04T14:38:07.287414Z",
"structure_string": "Li4 Co4 Sn2 O12\n1.0\n5.142150 -0.012633 -0.000000\n2.547113 4.426697 -0.000000\n-0.000000 -0.000000 9.829995\nLi Co Sn O\n4 4 2 12\ndirect\n0.500000 0.170643 0.750000 Li\n0.499999 0.329357 0.250000 Li\n0.499999 0.670644 0.750000 Li\n0.499999 0.829358 0.250000 Li\n0.328153 0.335923 0.000000 Co\n0.328152 0.835923 0.500000 Co\n0.671847 0.164078 0.500000 Co\n0.671846 0.664078 0.000000 Co\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.640650 0.354381 0.893955 O\n0.640650 0.004969 0.106045 O\n0.359349 0.645620 0.106045 O\n0.359349 0.495032 0.606046 O\n0.359349 0.145620 0.393955 O\n-0.000000 0.146283 0.602549 O\n0.359348 0.995034 0.893955 O\n-0.000001 0.646284 0.897452 O\n-0.000000 0.353717 0.102548 O\n0.640650 0.504968 0.393955 O\n-0.000001 0.853718 0.397452 O\n0.640650 0.854381 0.606046 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn",
"density": 5.1349277655745285,
"density_atomic": 0.09818188280251332,
"volume": 224.07392659449826,
"volume_molar": 6.133657848172619,
"formula_full": "Li4 Co4 Sn2 O12",
"formula_reduced": "Li2Co2SnO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.364874045454545,
"spacegroup": 64
},
{
"id": "jvasp-66589",
"created_at": "2022-09-04T14:36:10.936886Z",
"updated_at": "2022-09-04T14:36:10.936907Z",
"structure_string": "Ba4 Sb1 Pt1\n1.0\n0.000000 4.820849 4.820849\n4.820849 0.000000 4.820849\n4.820849 4.820849 -0.000000\nBa Sb Pt\n4 1 1\ndirect\n0.125484 0.624838 0.624838 Ba\n0.624838 0.624838 0.624838 Ba\n0.624838 0.125484 0.624838 Ba\n0.624838 0.624838 0.125484 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pt"
],
"chemical_system": "Ba-Pt-Sb",
"density": 6.418634240256946,
"density_atomic": 0.026776306395510912,
"volume": 224.07870269238884,
"volume_molar": 22.49055814886261,
"formula_full": "Ba4 Sb1 Pt1",
"formula_reduced": "Ba4SbPt",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-16859",
"created_at": "2022-09-04T14:38:02.033842Z",
"updated_at": "2022-09-04T14:38:02.033861Z",
"structure_string": "Zn1 Cu2 Ge1 Te4\n1.0\n5.557773 -0.000000 -2.495567\n-1.120566 5.443636 -2.495567\n-0.008922 -0.010946 7.416658\nZn Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.249999 0.750000 0.500000 Cu\n0.749999 0.250000 0.499999 Cu\n0.499999 0.500000 -0.000001 Ge\n0.382957 0.382958 0.266127 Te\n0.116830 0.617042 0.733873 Te\n0.617042 0.116830 0.733872 Te\n0.883169 0.883170 0.266126 Te\n",
"nsites": 8,
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"elements": [
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"Cu",
"Ge",
"Te"
],
"chemical_system": "Cu-Ge-Te-Zn",
"density": 5.747034391511168,
"density_atomic": 0.03570096236841275,
"volume": 224.08359521081664,
"volume_molar": 16.868286904579996,
"formula_full": "Zn1 Cu2 Ge1 Te4",
"formula_reduced": "ZnCu2GeTe4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-39206",
"created_at": "2022-09-04T14:37:58.392033Z",
"updated_at": "2022-09-04T14:37:58.392065Z",
"structure_string": "K1 Sr3\n1.0\n0.000000 4.820886 4.820886\n4.820886 -0.000000 4.820886\n4.820886 4.820886 0.000000\nK Sr\n1 3\ndirect\n0.750001 0.750001 0.750001 K\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n",
"nsites": 4,
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"elements": [
"K",
"Sr"
],
"chemical_system": "K-Sr",
"density": 2.2376156356884835,
"density_atomic": 0.017850459920525023,
"volume": 224.0838621418753,
"volume_molar": 33.7366139965702,
"formula_full": "K1 Sr3",
"formula_reduced": "KSr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.008795,
"spacegroup": 225
},
{
"id": "jvasp-45327",
"created_at": "2022-09-04T14:37:06.560003Z",
"updated_at": "2022-09-04T14:37:06.560037Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924735 0.000000 0.000000\n0.000000 5.256435 0.000000\n0.000000 0.000000 8.656650\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307454 Li\n0.500000 0.500000 0.807454 Li\n0.500000 0.000000 0.187698 Li\n0.000000 0.500000 0.687698 Li\n0.500000 0.000000 0.595692 Sn\n0.000000 0.500000 0.095692 Sn\n0.000000 0.000000 0.904511 Te\n0.500000 0.500000 0.404511 Te\n0.211427 0.687950 0.911921 O\n0.288573 0.187951 0.411921 O\n0.265863 0.665389 0.251991 O\n0.788572 0.312049 0.911921 O\n0.234136 0.165390 0.751991 O\n0.709815 0.338533 0.573361 O\n0.734136 0.334610 0.251991 O\n0.290184 0.661466 0.573361 O\n0.711426 0.812048 0.411921 O\n0.790184 0.838532 0.073361 O\n0.765863 0.834609 0.751991 O\n0.209816 0.161467 0.073361 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Sn",
"Te",
"O"
],
"chemical_system": "Li-O-Sn-Te",
"density": 5.278795545895777,
"density_atomic": 0.08924953713156081,
"volume": 224.09079803426243,
"volume_molar": 6.747531643915299,
"formula_full": "Li4 Sn2 Te2 O12",
"formula_reduced": "Li2SnTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.886076046666667,
"spacegroup": 34
},
{
"id": "jvasp-27539",
"created_at": "2022-09-04T14:38:06.078073Z",
"updated_at": "2022-09-04T14:38:06.078093Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924758 0.000000 0.000000\n0.000000 5.256432 0.000000\n0.000000 0.000000 8.656663\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307455 Li\n0.500000 0.500000 0.807455 Li\n0.500000 0.000000 0.187697 Li\n0.000000 0.500000 0.687697 Li\n0.500000 0.000000 0.595693 Sn\n0.000000 0.500000 0.095693 Sn\n0.000000 0.000000 0.904508 Te\n0.500000 0.500000 0.404508 Te\n0.211426 0.687949 0.911921 O\n0.288575 0.187949 0.411922 O\n0.265862 0.665391 0.251991 O\n0.788575 0.312051 0.911921 O\n0.234138 0.165391 0.751990 O\n0.709815 0.338533 0.573361 O\n0.734138 0.334609 0.251991 O\n0.290185 0.661467 0.573361 O\n0.711426 0.812051 0.411922 O\n0.790185 0.838533 0.073361 O\n0.765863 0.834608 0.751990 O\n0.209815 0.161467 0.073361 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Te",
"O"
],
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"density": 5.278765977879573,
"density_atomic": 0.08924903721984095,
"volume": 224.09205323678046,
"volume_molar": 6.747569438946527,
"formula_full": "Li4 Sn2 Te2 O12",
"formula_reduced": "Li2SnTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.886076046666667,
"spacegroup": 34
},
{
"id": "jvasp-45784",
"created_at": "2022-09-04T14:38:02.879688Z",
"updated_at": "2022-09-04T14:38:02.879711Z",
"structure_string": "Li6 V2 F12\n1.0\n0.000000 5.126938 0.532081\n8.861102 0.000000 0.000000\n0.000000 -2.392254 -5.181141\nLi V F\n6 2 12\ndirect\n0.485748 0.168384 0.921367 Li\n0.951570 0.338165 0.827130 Li\n0.824651 0.668374 0.597531 Li\n0.175351 0.168375 0.402469 Li\n0.514253 0.668384 0.078633 Li\n0.048431 0.838165 0.172870 Li\n0.760259 0.996851 0.533032 V\n0.239743 0.496851 0.466968 V\n0.779508 0.827798 0.308571 F\n0.204164 0.339594 0.211382 F\n0.321060 -0.004336 0.311356 F\n0.289955 0.662878 0.259770 F\n0.220493 0.327798 0.691429 F\n0.678941 0.495664 0.688644 F\n0.236135 0.640484 0.725744 F\n0.710047 0.162878 0.740230 F\n0.810423 0.523951 0.270555 F\n0.795838 0.839594 0.788618 F\n0.189579 0.023951 0.729445 F\n0.763866 0.140484 0.274256 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 2.7527957847515876,
"density_atomic": 0.08924513965193355,
"volume": 224.10183992094508,
"volume_molar": 6.747864122894593,
"formula_full": "Li6 V2 F12",
"formula_reduced": "Li3VF6",
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"spacegroup": 4
},
{
"id": "jvasp-12160",
"created_at": "2022-09-04T14:36:56.952674Z",
"updated_at": "2022-09-04T14:36:56.952694Z",
"structure_string": "Al2 Si4 O11\n1.0\n2.670256 4.602355 -0.570601\n-2.479731 4.603478 0.383962\n-0.067179 0.003408 9.466700\nAl Si O\n2 4 11\ndirect\n0.312236 0.374911 -0.000191 Al\n0.687765 0.625088 0.000191 Al\n0.266294 0.745609 0.702236 Si\n0.733707 0.254391 0.297764 Si\n0.911593 0.452814 0.700869 Si\n0.088408 0.547185 0.299131 Si\n0.901153 0.415496 0.367586 O\n0.098848 0.584503 0.632414 O\n0.439985 0.339091 0.368228 O\n0.560016 0.660909 0.631772 O\n0.616402 0.393498 0.124991 O\n0.948400 0.476754 0.874328 O\n0.037819 0.107161 0.675916 O\n0.383598 0.606501 0.875009 O\n0.500000 -0.000001 0.000000 O\n0.051601 0.523245 0.125672 O\n0.962181 0.892838 0.324084 O\n",
"nsites": 17,
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],
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"density": 2.536198919748494,
"density_atomic": 0.07585394458809466,
"volume": 224.11491046792793,
"volume_molar": 7.939126689721526,
"formula_full": "Al2 Si4 O11",
"formula_reduced": "Al2Si4O11",
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"energy_above_hull": 2.950446382352941,
"spacegroup": 2
},
{
"id": "jvasp-66384",
"created_at": "2022-09-04T14:36:03.121580Z",
"updated_at": "2022-09-04T14:36:03.121608Z",
"structure_string": "Ba4 Ti1 Pt1\n1.0\n-0.000000 4.821119 4.821119\n4.821119 0.000000 4.821119\n4.821119 4.821119 -0.000000\nBa Ti Pt\n4 1 1\ndirect\n0.128061 0.623979 0.623979 Ba\n0.623979 0.623979 0.623979 Ba\n0.623979 0.128061 0.623979 Ba\n0.623979 0.623979 0.128061 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.8700625530584025,
"density_atomic": 0.026771807939125203,
"volume": 224.1163545488985,
"volume_molar": 22.494337228525552,
"formula_full": "Ba4 Ti1 Pt1",
"formula_reduced": "Ba4TiPt",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-57148",
"created_at": "2022-09-04T14:37:08.657856Z",
"updated_at": "2022-09-04T14:37:08.657875Z",
"structure_string": "Na1 Zr2 Mn1 F11\n1.0\n5.384131 0.011233 2.043074\n1.021118 5.286427 2.043074\n-0.002537 -0.002099 7.875680\nNa Zr Mn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.502607 0.502607 0.766985 Zr\n0.497393 0.497393 0.233014 Zr\n-0.000000 -0.000000 0.500000 Mn\n0.806431 0.222149 0.692669 F\n0.777851 0.193569 0.307330 F\n0.193569 0.777851 0.307330 F\n0.222149 0.806431 0.692669 F\n0.500000 0.500000 0.499999 F\n0.329784 0.670216 -0.000001 F\n0.670216 0.329784 -0.000001 F\n0.252687 0.252687 0.347720 F\n0.747313 0.747313 0.652279 F\n0.265117 0.265117 0.892815 F\n0.734883 0.734883 0.107184 F\n",
"nsites": 15,
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],
"chemical_system": "F-Mn-Na-Zr",
"density": 3.477550416311352,
"density_atomic": 0.06692850760840782,
"volume": 224.11974412702492,
"volume_molar": 8.997870974854184,
"formula_full": "Na1 Zr2 Mn1 F11",
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"formula_anonymous": "ABC2D11",
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"spacegroup": 12
}
]
}