HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=334",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=332",
"results": [
{
"id": "jvasp-94828",
"created_at": "2022-09-04T14:36:13.399378Z",
"updated_at": "2022-09-04T14:36:13.399401Z",
"structure_string": "Na1 Mn2 O4\n1.0\n1.531074 2.439775 -0.031303\n-3.964931 2.468510 -1.473845\n-0.013612 0.080355 5.765377\nNa Mn O\n1 2 4\ndirect\n0.500000 0.000003 0.500002 Na\n-0.000004 0.000009 0.000005 Mn\n0.500005 0.500003 0.000003 Mn\n0.499850 0.773561 0.816690 O\n-0.000097 0.268392 0.812073 O\n0.000097 0.731601 0.187925 O\n0.500146 0.226449 0.183318 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.20174536885685,
"density_atomic": 0.08997328150767875,
"volume": 77.80087468969981,
"volume_molar": 6.693254551892765,
"formula_full": "Na1 Mn2 O4",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5668453546798027,
"spacegroup": 10
},
{
"id": "jvasp-86281",
"created_at": "2022-09-04T14:36:14.474691Z",
"updated_at": "2022-09-04T14:36:14.474718Z",
"structure_string": "Ce6 B2 C3 Br3\n1.0\n3.665764 0.000000 0.000000\n0.000000 7.863227 -3.395599\n0.000000 -0.172569 10.113292\nCe B C Br\n6 2 3 3\ndirect\n0.000000 0.288938 0.484150 Ce\n0.499999 0.939059 0.157929 Ce\n0.499999 0.368694 0.219100 Ce\n0.000000 0.711062 0.515849 Ce\n0.499999 0.060941 0.842071 Ce\n0.499999 0.631306 0.780900 Ce\n0.000000 0.102351 0.064228 B\n0.000000 0.897650 0.935772 B\n0.000000 0.164382 0.229426 C\n0.000000 0.835619 0.770574 C\n0.499999 0.500000 0.500000 C\n0.000000 0.352836 0.814818 Br\n0.499999 -0.000000 0.500000 Br\n0.000000 0.647164 0.185182 Br\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ce",
"B",
"C",
"Br"
],
"chemical_system": "B-Br-C-Ce",
"density": 6.530842243016353,
"density_atomic": 0.04838181659449526,
"volume": 289.36490990693557,
"volume_molar": 12.44711584617346,
"formula_full": "Ce6 B2 C3 Br3",
"formula_reduced": "Ce6B2(CBr)3",
"formula_anonymous": "A2B3C3D6",
"energy_above_hull": 3.456204320119048,
"spacegroup": 10
},
{
"id": "jvasp-42729",
"created_at": "2022-09-04T14:36:14.646868Z",
"updated_at": "2022-09-04T14:36:14.646901Z",
"structure_string": "Co8 O8 F8\n1.0\n0.000000 4.591814 -0.020551\n2.891643 0.000000 0.000000\n0.000000 -1.636604 -18.071163\nCo O F\n8 8 8\ndirect\n0.107212 0.000000 0.122886 Co\n0.892788 0.000000 0.877114 Co\n0.962782 0.000000 0.626570 Co\n0.037218 0.000000 0.373429 Co\n0.500000 0.499999 -0.000000 Co\n0.430668 0.499999 0.753311 Co\n0.500000 0.499999 0.500000 Co\n0.569332 0.499999 0.246689 Co\n0.255580 0.499999 0.074878 O\n0.317018 0.000000 0.450548 O\n0.394902 0.000000 0.196568 O\n0.242043 0.000000 0.702658 O\n0.605098 0.000000 0.803432 O\n0.757957 0.000000 0.297342 O\n0.682982 0.000000 0.549452 O\n0.744420 0.499999 0.925122 O\n0.749685 0.499999 0.676252 F\n0.823767 0.499999 0.423334 F\n0.908145 0.499999 0.172590 F\n0.751616 0.000000 0.052301 F\n0.248384 0.000000 0.947698 F\n0.091855 0.499999 0.827409 F\n0.176233 0.499999 0.576666 F\n0.250315 0.499999 0.323748 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.198247589489678,
"density_atomic": 0.09998162257384294,
"volume": 240.04411392978182,
"volume_molar": 6.023247677894261,
"formula_full": "Co8 O8 F8",
"formula_reduced": "CoOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1526248941666666,
"spacegroup": 10
},
{
"id": "jvasp-85600",
"created_at": "2022-09-04T14:36:17.250828Z",
"updated_at": "2022-09-04T14:36:17.250854Z",
"structure_string": "Al4 O6\n1.0\n2.859638 -0.032401 0.058922\n0.045655 4.891539 0.491063\n-0.178072 0.677998 9.101188\nAl O\n4 6\ndirect\n0.692934 0.837052 0.948415 Al\n0.193277 0.085044 0.409301 Al\n0.693342 0.634289 0.229246 Al\n0.193005 0.386293 0.768357 Al\n0.693207 0.119391 0.545826 O\n0.693333 0.904906 0.341533 O\n0.192956 0.047297 0.880681 O\n0.692955 0.566439 0.836123 O\n0.193325 0.424045 0.296982 O\n0.693079 0.351948 0.631834 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 2.6784356004761776,
"density_atomic": 0.07909824519262114,
"volume": 126.42505501415187,
"volume_molar": 7.613494768859663,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.74152922,
"spacegroup": 10
},
{
"id": "jvasp-42814",
"created_at": "2022-09-04T14:36:17.601499Z",
"updated_at": "2022-09-04T14:36:17.601532Z",
"structure_string": "Na3 Mn5 O12\n1.0\n0.000000 4.947551 -0.005481\n8.533273 0.000000 0.000000\n0.000000 -1.783857 -5.501386\nNa Mn O\n3 5 12\ndirect\n-0.000000 0.699995 0.500000 Na\n-0.000000 0.300005 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.823759 0.000000 Mn\n0.000000 0.176241 0.000000 Mn\n0.500000 0.660251 -0.000000 Mn\n0.500000 0.339748 -0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.297269 0.500000 0.800388 O\n0.248727 0.316450 0.190338 O\n0.771673 0.000000 0.829581 O\n0.248727 0.683550 0.190338 O\n0.751272 0.316450 0.809663 O\n0.702730 0.500000 0.199613 O\n0.731602 0.167273 0.179417 O\n0.751272 0.683550 0.809663 O\n0.228326 0.000000 0.170420 O\n0.731602 0.832727 0.179417 O\n0.268398 0.832727 0.820584 O\n0.268398 0.167273 0.820584 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.828230529958505,
"density_atomic": 0.08607875559460257,
"volume": 232.34536630840964,
"volume_molar": 6.996082504215023,
"formula_full": "Na3 Mn5 O12",
"formula_reduced": "Na3Mn5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.9434572603448275,
"spacegroup": 10
},
{
"id": "jvasp-12163",
"created_at": "2022-09-04T14:36:19.287955Z",
"updated_at": "2022-09-04T14:36:19.287968Z",
"structure_string": "Ca1 Pb1 I4\n1.0\n6.958083 0.000000 0.030985\n0.000000 4.523495 0.000000\n0.025634 0.000000 7.922571\nCa Pb I\n1 1 4\ndirect\n-0.000000 0.500001 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n0.256662 0.000000 0.656457 I\n0.265650 0.500001 0.177268 I\n0.734350 0.500001 0.822732 I\n0.743337 0.000000 0.343543 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"I"
],
"chemical_system": "Ca-I-Pb",
"density": 5.0270424271383005,
"density_atomic": 0.024061774277942104,
"volume": 249.3581699625666,
"volume_molar": 25.027833319509668,
"formula_full": "Ca1 Pb1 I4",
"formula_reduced": "CaPbI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 10
},
{
"id": "jvasp-18892",
"created_at": "2022-09-04T14:36:20.711178Z",
"updated_at": "2022-09-04T14:36:20.711209Z",
"structure_string": "Cr2 H1 O4\n1.0\n0.000000 4.761273 -0.096136\n2.952662 0.000000 0.000000\n0.000000 -1.764143 -4.808347\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 H\n0.802824 0.000000 0.612102 O\n0.230661 0.500000 0.907278 O\n0.769340 0.500000 0.092724 O\n0.197176 0.000000 0.387900 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 4.120899083463223,
"density_atomic": 0.10279216777018811,
"volume": 68.09857357663535,
"volume_molar": 5.858559937624497,
"formula_full": "Cr2 H1 O4",
"formula_reduced": "Cr2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.2957969714285715,
"spacegroup": 10
},
{
"id": "jvasp-95007",
"created_at": "2022-09-04T14:36:21.041689Z",
"updated_at": "2022-09-04T14:36:21.041715Z",
"structure_string": "Cr2 H1 O4\n1.0\n2.449397 0.000000 4.086068\n-0.112973 2.952580 9.228862\n-0.112973 0.000000 9.228862\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000001 0.500000 -0.000000 Cr\n0.500002 0.500000 0.499999 H\n0.578966 0.000000 0.611943 O\n0.415781 0.500000 0.407438 O\n0.584223 0.500000 0.592561 O\n0.421037 0.000000 0.388056 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 4.120421847158551,
"density_atomic": 0.1027802635344128,
"volume": 68.10646090293655,
"volume_molar": 5.859238488898865,
"formula_full": "Cr2 H1 O4",
"formula_reduced": "Cr2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.2957969714285715,
"spacegroup": 10
},
{
"id": "jvasp-48601",
"created_at": "2022-09-04T14:36:30.761148Z",
"updated_at": "2022-09-04T14:36:30.761164Z",
"structure_string": "Na5 Mn7 O16\n1.0\n0.000000 6.097369 0.110245\n5.915929 0.000000 0.000000\n0.000000 -0.453490 -8.637609\nNa Mn O\n5 7 16\ndirect\n0.244106 0.000000 0.872439 Na\n0.222222 0.500000 0.620873 Na\n0.000000 0.000000 0.500000 Na\n0.777778 0.500000 0.379126 Na\n0.755894 0.000000 0.127561 Na\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.270981 0.752583 0.244605 Mn\n0.270981 0.247417 0.244605 Mn\n0.729020 0.752583 0.755394 Mn\n0.729020 0.247417 0.755394 Mn\n0.500000 0.000000 0.500000 Mn\n0.081440 0.000000 0.227778 O\n0.254188 0.293523 0.014231 O\n0.254188 0.706477 0.014231 O\n0.481862 0.500000 0.222719 O\n0.059525 0.500000 0.224425 O\n0.485888 0.000000 0.273511 O\n0.285720 0.768558 0.456529 O\n0.940475 0.500000 0.775575 O\n0.714280 0.231442 0.543471 O\n0.714280 0.768558 0.543471 O\n0.918560 0.000000 0.772221 O\n0.514112 0.000000 0.726488 O\n0.745812 0.293523 0.985768 O\n0.518138 0.500000 0.777281 O\n0.285720 0.231442 0.456529 O\n0.745812 0.706477 0.985768 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.0303266838414915,
"density_atomic": 0.08995214379945693,
"volume": 311.2766279636911,
"volume_molar": 6.6948273889125,
"formula_full": "Na5 Mn7 O16",
"formula_reduced": "Na5Mn7O16",
"formula_anonymous": "A5B7C16",
"energy_above_hull": 2.898310774630541,
"spacegroup": 10
},
{
"id": "jvasp-99666",
"created_at": "2022-09-04T14:36:30.902124Z",
"updated_at": "2022-09-04T14:36:30.902152Z",
"structure_string": "Li2 Ti1 Cr1 O4\n1.0\n2.454947 -0.000420 4.545450\n0.027164 2.925768 9.925695\n0.026891 -0.000417 9.925493\nLi Ti Cr O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000001 0.500000 -0.000000 Li\n0.500000 -0.000001 0.500000 Ti\n0.500002 0.499999 0.500000 Cr\n0.256382 -0.000009 0.238409 O\n0.249204 0.499993 0.244382 O\n0.743618 0.000009 0.761591 O\n0.750795 0.500007 0.755618 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 4.160341131674032,
"density_atomic": 0.11276596974488134,
"volume": 70.94338848944395,
"volume_molar": 5.3403883934349405,
"formula_full": "Li2 Ti1 Cr1 O4",
"formula_reduced": "Li2TiCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.542819966666667,
"spacegroup": 10
},
{
"id": "jvasp-100464",
"created_at": "2022-09-04T14:36:31.926753Z",
"updated_at": "2022-09-04T14:36:31.926769Z",
"structure_string": "Cr2 H1 O4\n1.0\n2.948247 0.000000 0.000000\n0.000000 4.265372 0.200622\n0.000000 0.014043 4.749988\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Cr\n0.500000 0.500000 -0.000000 H\n0.000000 0.264812 0.667062 O\n0.500000 0.258348 0.146623 O\n0.500000 0.741651 0.853377 O\n0.000000 0.735187 0.332938 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 4.698693301905697,
"density_atomic": 0.11720473139668433,
"volume": 59.724551360543686,
"volume_molar": 5.138137930300623,
"formula_full": "Cr2 H1 O4",
"formula_reduced": "Cr2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.284166971428572,
"spacegroup": 10
},
{
"id": "jvasp-99580",
"created_at": "2022-09-04T14:36:32.675416Z",
"updated_at": "2022-09-04T14:36:32.675438Z",
"structure_string": "Mn2 Sn1 S4\n1.0\n3.615025 0.000000 0.000000\n-0.000000 5.870088 1.774277\n-0.000000 -0.002083 6.787714\nMn Sn S\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.229266 0.299992 S\n0.500001 0.263581 0.715709 S\n0.000000 0.770735 0.700008 S\n0.500001 0.736420 0.284291 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"S"
],
"chemical_system": "Mn-S-Sn",
"density": 4.1134886787044325,
"density_atomic": 0.04859351406223795,
"volume": 144.0521463632881,
"volume_molar": 12.392890031140617,
"formula_full": "Mn2 Sn1 S4",
"formula_reduced": "Mn2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6095394546798025,
"spacegroup": 10
}
]
}