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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1297",
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"results": [
{
"id": "jvasp-118990",
"created_at": "2022-09-04T14:38:48.247223Z",
"updated_at": "2022-09-04T14:38:48.247253Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.975006 0.032865 2.100461\n5.284092 2.789291 2.100461\n0.158924 0.039835 14.012254\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.064169 0.064169 0.153728 Li\n0.635341 0.635339 0.299254 Li\n0.935831 0.935830 0.846271 Li\n0.364660 0.364661 0.700746 Li\n0.200481 0.200482 0.436284 Li\n0.799519 0.799517 0.563716 Li\n0.500000 0.500000 0.500000 Li\n0.213619 0.213622 0.928666 Mn\n0.786381 0.786378 0.071333 Mn\n0.071604 0.071606 0.639376 Co\n0.644773 0.644773 0.784857 Co\n0.355228 0.355227 0.215143 Co\n0.928396 0.928393 0.360624 Co\n0.062991 0.062992 0.389514 O\n0.650410 0.650407 0.030136 O\n0.223125 0.223125 0.168266 O\n0.798316 0.798313 0.309427 O\n0.082027 0.082030 0.887377 O\n0.514613 0.514613 0.742463 O\n0.361306 0.361306 0.450248 O\n0.937010 0.937008 0.610486 O\n0.349591 0.349593 0.969863 O\n0.917974 0.917970 0.112622 O\n0.485387 0.485386 0.257537 O\n0.776875 0.776875 0.831733 O\n0.201684 0.201686 0.690573 O\n0.638694 0.638693 0.549752 O\n",
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],
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"density_atomic": 0.12167706579774046,
"volume": 230.11731764261495,
"volume_molar": 4.949281707705208,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 12
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{
"id": "jvasp-113178",
"created_at": "2022-09-04T14:38:44.964013Z",
"updated_at": "2022-09-04T14:38:44.964033Z",
"structure_string": "V4 Sb4 O16\n1.0\n5.608454 0.002932 0.219265\n1.745825 5.329735 0.219277\n-0.010057 -0.007374 9.094797\nV Sb O\n4 4 16\ndirect\n0.495878 0.495881 0.504130 V\n0.870884 0.870876 0.629121 V\n0.995877 0.995879 0.004129 V\n0.370883 0.370875 0.129120 V\n0.752033 0.752028 0.247968 Sb\n0.252034 0.252029 0.747967 Sb\n0.627032 0.627034 0.872967 Sb\n0.127033 0.127034 0.372966 Sb\n0.432680 0.815867 0.375739 O\n0.932678 0.315864 0.875737 O\n0.315850 0.932662 0.875727 O\n0.815853 0.432663 0.375729 O\n0.095052 0.095085 0.596525 O\n0.595050 0.595083 0.096526 O\n0.350901 0.350899 0.347354 O\n0.678526 0.075031 0.123222 O\n0.575034 0.178528 0.623227 O\n0.075032 0.678527 0.123225 O\n0.403478 0.403463 0.904934 O\n0.178528 0.575034 0.623223 O\n0.152646 0.152650 0.149097 O\n0.652647 0.652653 0.649098 O\n0.850899 0.850898 0.847355 O\n0.903480 0.903464 0.404934 O\n",
"nsites": 24,
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"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 5.783750333077971,
"density_atomic": 0.08829072515745717,
"volume": 271.8292318609745,
"volume_molar": 6.820807903956105,
"formula_full": "V4 Sb4 O16",
"formula_reduced": "VSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5581857166666677,
"spacegroup": 109
},
{
"id": "jvasp-118535",
"created_at": "2022-09-04T14:38:53.192053Z",
"updated_at": "2022-09-04T14:38:53.192085Z",
"structure_string": "Hf1 O3\n1.0\n4.455251 1.560774 0.287861\n0.222439 -3.050018 0.045667\n-1.525584 -1.582661 -3.073204\nHf O\n1 3\ndirect\n0.063604 0.778345 0.069334 Hf\n0.460307 0.406767 0.186148 O\n0.051628 0.074547 0.467767 O\n0.679592 0.299331 0.686509 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 9.040692607276139,
"density_atomic": 0.09615392495984004,
"volume": 41.59996590540275,
"volume_molar": 6.263021257338405,
"formula_full": "Hf1 O3",
"formula_reduced": "HfO3",
"formula_anonymous": "AB3",
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"spacegroup": 1
},
{
"id": "jvasp-24818",
"created_at": "2022-09-04T14:37:37.005292Z",
"updated_at": "2022-09-04T14:37:37.005324Z",
"structure_string": "Ca4 Fe2 N4\n1.0\n4.586752 0.000000 1.843389\n1.650054 5.107855 2.522420\n0.047605 0.065926 6.509661\nCa Fe N\n4 2 4\ndirect\n0.680802 0.245513 0.392883 Ca\n0.319197 0.754488 0.607117 Ca\n0.037939 0.697606 0.226515 Ca\n0.962060 0.302395 0.773485 Ca\n0.373058 0.125600 0.128284 Fe\n0.626941 0.874402 0.871715 Fe\n0.190561 0.239026 0.379853 N\n0.809438 0.760976 0.620147 N\n0.480599 0.237749 0.801054 N\n0.519400 0.762253 0.198946 N\n",
"nsites": 10,
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"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 3.595388708997376,
"density_atomic": 0.06600620707687654,
"volume": 151.5009033673626,
"volume_molar": 9.123597653454157,
"formula_full": "Ca4 Fe2 N4",
"formula_reduced": "Ca2FeN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-70450",
"created_at": "2022-09-04T14:35:50.351347Z",
"updated_at": "2022-09-04T14:35:50.351367Z",
"structure_string": "Y1 Be2 Fe1\n1.0\n2.999097 0.000000 -0.000000\n0.000000 2.999097 0.000000\n0.000000 0.000000 6.227752\nY Be Fe\n1 2 1\ndirect\n0.500001 0.500001 0.726004 Y\n0.000000 0.000000 0.085053 Be\n0.500001 0.500001 0.269176 Be\n0.000000 0.000000 0.419766 Fe\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.07140812942612891,
"volume": 56.01603111782903,
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"formula_full": "Y1 Be2 Fe1",
"formula_reduced": "YBe2Fe",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-119042",
"created_at": "2022-09-04T14:38:33.182310Z",
"updated_at": "2022-09-04T14:38:33.182342Z",
"structure_string": "Li2 Fe12 Ge10\n1.0\n4.941798 0.004905 0.850788\n2.393496 4.323490 0.850788\n0.023924 0.014117 14.638902\nLi Fe Ge\n2 12 10\ndirect\n0.088114 0.088115 0.735849 Li\n0.911887 0.911885 0.264151 Li\n0.546955 0.546955 0.860749 Fe\n0.453045 0.453044 0.139252 Fe\n0.364693 0.364693 0.417969 Fe\n0.364702 0.852698 0.417950 Fe\n0.852699 0.364701 0.417950 Fe\n0.635308 0.635307 0.582032 Fe\n0.147302 0.635299 0.582050 Fe\n0.453042 0.954595 0.139252 Fe\n0.954596 0.453040 0.139252 Fe\n0.546959 0.045405 0.860748 Fe\n0.045405 0.546960 0.860748 Fe\n0.635299 0.147302 0.582050 Fe\n0.240474 0.240474 0.278475 Ge\n0.333480 0.333481 0.999567 Ge\n0.666520 0.666518 0.000433 Ge\n0.029885 0.029887 0.910333 Ge\n0.970115 0.970113 0.089667 Ge\n0.425450 0.425450 0.723748 Ge\n0.574550 0.574549 0.276253 Ge\n0.147512 0.147512 0.557429 Ge\n0.852489 0.852487 0.442571 Ge\n0.759526 0.759525 0.721525 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Li",
"density": 7.495033798532908,
"density_atomic": 0.07680450001713655,
"volume": 312.4816904562251,
"volume_molar": 7.8408696868755685,
"formula_full": "Li2 Fe12 Ge10",
"formula_reduced": "LiFe6Ge5",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.5578027291666663,
"spacegroup": 166
},
{
"id": "jvasp-35535",
"created_at": "2022-09-04T14:37:53.773444Z",
"updated_at": "2022-09-04T14:37:53.773470Z",
"structure_string": "Ag1 P1 Pt5\n1.0\n3.954939 0.000000 0.000000\n0.000000 3.954939 0.000000\n0.000000 0.000000 7.135291\nAg P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.296273 Pt\n0.000000 0.500000 0.703727 Pt\n0.500000 0.000000 0.296273 Pt\n0.500000 0.000000 0.703727 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
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"elements": [
"Ag",
"P",
"Pt"
],
"chemical_system": "Ag-P-Pt",
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"density_atomic": 0.06272010423210628,
"volume": 111.606957381565,
"volume_molar": 9.601611530672935,
"formula_full": "Ag1 P1 Pt5",
"formula_reduced": "AgPPt5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.557688537142857,
"spacegroup": 123
},
{
"id": "jvasp-40683",
"created_at": "2022-09-04T14:38:06.108048Z",
"updated_at": "2022-09-04T14:38:06.108080Z",
"structure_string": "Li3 Mn3 P3 O12\n1.0\n2.628424 -4.552564 -0.000000\n2.628424 4.552564 0.000000\n-0.000000 -0.000000 13.220785\nLi Mn P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.499999 0.499999 0.333333 Mn\n-0.000000 0.499999 0.666667 Mn\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.499999 0.833333 P\n-0.000000 0.499999 0.166667 P\n0.499999 -0.000000 0.500000 P\n0.181049 0.403533 0.232257 O\n0.222484 0.403533 0.767743 O\n0.181049 0.777515 0.101076 O\n0.222484 0.818950 0.565590 O\n0.818950 0.222484 0.101076 O\n0.403533 0.181049 0.434410 O\n0.818949 0.596466 0.232257 O\n0.777515 0.596466 0.767743 O\n0.596466 0.777515 0.898924 O\n0.403533 0.222484 0.898924 O\n0.777515 0.181049 0.565590 O\n0.596466 0.818949 0.434410 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.4695469085919406,
"density_atomic": 0.06637133795561055,
"volume": 316.4016373158681,
"volume_molar": 9.073405698145837,
"formula_full": "Li3 Mn3 P3 O12",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.557680963054187,
"spacegroup": 180
},
{
"id": "jvasp-26131",
"created_at": "2022-09-04T14:37:39.433581Z",
"updated_at": "2022-09-04T14:37:39.433609Z",
"structure_string": "Ba3 Nb2 O8\n1.0\n5.656122 0.013032 5.693233\n2.355726 5.142222 5.693233\n0.020253 0.013032 8.025223\nBa Nb O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.800285 0.800284 0.800285 Ba\n0.199715 0.199715 0.199715 Ba\n0.405952 0.405952 0.405952 Nb\n0.594048 0.594047 0.594048 Nb\n0.267186 0.267185 0.770896 O\n0.770896 0.267185 0.267186 O\n0.267186 0.770895 0.267185 O\n0.732814 0.732814 0.229104 O\n0.229105 0.732814 0.732814 O\n0.732814 0.229104 0.732814 O\n0.319588 0.319588 0.319588 O\n0.680412 0.680411 0.680411 O\n",
"nsites": 13,
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],
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"density_atomic": 0.05595459623452678,
"volume": 232.33122700970094,
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"formula_full": "Ba3 Nb2 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 166
},
{
"id": "jvasp-71139",
"created_at": "2022-09-04T14:35:55.312654Z",
"updated_at": "2022-09-04T14:35:55.312683Z",
"structure_string": "Be1 V2 Cu1\n1.0\n2.999547 0.000000 -0.000000\n0.000000 2.999547 0.000000\n-0.000000 0.000000 5.387757\nBe V Cu\n1 2 1\ndirect\n0.000000 0.000000 0.503541 Be\n0.000000 0.000000 0.021077 V\n0.500001 0.500001 0.251300 V\n0.500001 0.500001 0.724083 Cu\n",
"nsites": 4,
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],
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"formula_full": "Be1 V2 Cu1",
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"spacegroup": 99
},
{
"id": "jvasp-15757",
"created_at": "2022-09-04T14:36:38.313729Z",
"updated_at": "2022-09-04T14:36:38.313759Z",
"structure_string": "Sm3 Al1 C1\n1.0\n5.001251 -0.000000 -0.000000\n0.000000 5.001251 0.000000\n-0.000000 0.000000 5.001251\nSm Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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"spacegroup": 221
},
{
"id": "jvasp-111648",
"created_at": "2022-09-04T14:38:52.107379Z",
"updated_at": "2022-09-04T14:38:52.107396Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.839418 -0.003879 0.245291\n1.375358 6.140445 0.724476\n0.282582 -0.089544 13.247723\nLi Mn Co O\n8 2 4 14\ndirect\n0.139893 0.932223 0.787701 Li\n0.003621 0.504442 0.488885 Li\n0.863281 0.056602 0.217182 Li\n0.578126 0.207385 0.636662 Li\n0.435035 0.784976 0.345538 Li\n0.267552 0.380268 0.084105 Li\n0.712270 0.636064 0.938686 Li\n0.567439 0.713937 0.151216 Li\n0.002216 0.991673 0.003569 Mn\n0.858953 0.569776 0.712269 Mn\n0.286919 0.854957 0.571335 Co\n0.141265 0.433704 0.283903 Co\n0.714995 0.141476 0.428736 Co\n0.428362 0.287246 0.855864 Co\n0.869718 0.309710 0.950865 O\n0.559478 0.982407 0.898174 O\n0.422278 0.542094 0.613135 O\n0.272130 0.122564 0.333203 O\n-0.009321 0.263363 0.754984 O\n0.843866 0.835759 0.476450 O\n0.708459 0.390595 0.192394 O\n0.133887 0.701777 0.029988 O\n0.725393 0.876778 0.672717 O\n0.584127 0.446166 0.385926 O\n0.432106 0.042834 0.092846 O\n0.155996 0.159557 0.528847 O\n0.005466 0.735197 0.254162 O\n0.296502 0.596464 0.810661 O\n",
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],
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"density_atomic": 0.12132969902835514,
"volume": 230.77614322158922,
"volume_molar": 4.963451494751179,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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}
]
}