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=-formula_reduced&page=43",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=41",
"results": [
{
"id": "jvasp-20625",
"created_at": "2022-09-04T14:37:28.179015Z",
"updated_at": "2022-09-04T14:37:28.179025Z",
"structure_string": "Zr1 Cu1\n1.0\n3.265114 0.000000 -0.000000\n0.000000 3.265114 -0.000000\n0.000000 0.000000 3.265114\nZr Cu\n1 1\ndirect\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.383135396150533,
"density_atomic": 0.057455941876490384,
"volume": 34.8092805492473,
"volume_molar": 10.481319361094867,
"formula_full": "Zr1 Cu1",
"formula_reduced": "ZrCu",
"formula_anonymous": "AB",
"energy_above_hull": 1.224137475,
"spacegroup": 221
},
{
"id": "jvasp-110946",
"created_at": "2022-09-04T14:38:38.906020Z",
"updated_at": "2022-09-04T14:38:38.906039Z",
"structure_string": "Zr2 Cr2 W2\n1.0\n4.576618 -0.000348 -2.504273\n-1.530467 4.225237 -2.649878\n0.013300 0.000348 5.216957\nZr Cr W\n2 2 2\ndirect\n0.372633 0.122633 0.250000 Zr\n0.627367 0.877368 0.750001 Zr\n-0.000000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.500001 Cr\n0.500000 0.500000 0.000000 W\n-0.000000 0.500001 0.500000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"W"
],
"chemical_system": "Cr-W-Zr",
"density": 10.751678344017009,
"density_atomic": 0.059391029737002186,
"volume": 101.0253573068096,
"volume_molar": 10.1398153671817,
"formula_full": "Zr2 Cr2 W2",
"formula_reduced": "ZrCrW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.0542606333333335,
"spacegroup": 74
},
{
"id": "jvasp-120571",
"created_at": "2022-09-04T14:38:46.185630Z",
"updated_at": "2022-09-04T14:38:46.185660Z",
"structure_string": "Zr4 Cr4 O16\n1.0\n4.713025 -0.026130 0.001816\n0.063671 11.643426 -0.053256\n-0.001766 0.022665 4.893096\nZr Cr O\n4 4 16\ndirect\n-0.000019 0.170345 0.249990 Zr\n0.999979 0.829656 0.749968 Zr\n0.500027 0.670346 0.249995 Zr\n0.499979 0.329655 0.750028 Zr\n0.000027 0.565799 0.750029 Cr\n0.499991 0.065797 0.749964 Cr\n0.000008 0.434203 0.250036 Cr\n0.499982 0.934202 0.249977 Cr\n0.775002 0.552278 0.069524 O\n0.775008 0.447714 0.569528 O\n0.225023 0.552284 0.430530 O\n0.225031 0.447724 0.930534 O\n0.274982 0.947711 0.930478 O\n0.274969 0.052273 0.430482 O\n0.776907 0.315869 0.091359 O\n0.276910 0.815861 0.408636 O\n0.723107 0.815878 0.091340 O\n0.723082 0.184138 0.591345 O\n0.724989 0.052290 0.069474 O\n0.276886 0.184124 0.908645 O\n0.223101 0.684137 0.908657 O\n0.223100 0.315869 0.408660 O\n0.776908 0.684126 0.591357 O\n0.725001 0.947726 0.569469 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Zr",
"density": 5.12565347898542,
"density_atomic": 0.08937674749242275,
"volume": 268.5262182094363,
"volume_molar": 6.737927849198753,
"formula_full": "Zr4 Cr4 O16",
"formula_reduced": "ZrCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.993439316666667,
"spacegroup": 60
},
{
"id": "jvasp-113044",
"created_at": "2022-09-04T14:38:46.070316Z",
"updated_at": "2022-09-04T14:38:46.070336Z",
"structure_string": "Zr4 Cr4 Fe4\n1.0\n4.850421 0.060688 0.000000\n-2.343142 4.247347 0.000000\n-0.000000 0.000000 8.308726\nZr Cr Fe\n4 4 4\ndirect\n0.330828 0.669174 0.184768 Zr\n0.665985 0.334016 0.309412 Zr\n0.665985 0.334016 0.690588 Zr\n0.330828 0.669174 0.815233 Zr\n0.841123 0.158877 -0.000000 Cr\n0.167700 0.339804 0.500000 Cr\n0.660197 0.832302 0.500000 Cr\n0.167915 0.832087 0.500000 Cr\n0.995615 0.004386 0.246619 Fe\n0.995615 0.004386 0.753381 Fe\n0.833594 0.655348 -0.000000 Fe\n0.344653 0.166407 -0.000000 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Zr",
"density": 7.671586647043732,
"density_atomic": 0.06962452181271249,
"volume": 172.3530688265203,
"volume_molar": 8.649453674093944,
"formula_full": "Zr4 Cr4 Fe4",
"formula_reduced": "ZrCrFe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.647482466666667,
"spacegroup": 38
},
{
"id": "jvasp-51200",
"created_at": "2022-09-04T14:36:47.517768Z",
"updated_at": "2022-09-04T14:36:47.517790Z",
"structure_string": "Zr1 Cr1 Fe1\n1.0\n0.000000 2.897195 2.897195\n2.897195 0.000000 2.897195\n2.897195 2.897195 -0.000000\nZr Cr Fe\n1 1 1\ndirect\n0.500001 0.500001 0.500001 Zr\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Zr",
"density": 6.7964331127133715,
"density_atomic": 0.06168194759125896,
"volume": 48.63659655949538,
"volume_molar": 9.763214352287097,
"formula_full": "Zr1 Cr1 Fe1",
"formula_reduced": "ZrCrFe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9164124666666673,
"spacegroup": 216
},
{
"id": "jvasp-90640",
"created_at": "2022-09-04T14:35:51.940615Z",
"updated_at": "2022-09-04T14:35:51.940633Z",
"structure_string": "Zr1 Cr1 F6\n1.0\n5.034901 0.000000 2.906901\n1.678300 4.746951 2.906901\n0.000000 0.000000 5.813804\nZr Cr F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.252998 0.747002 0.747002 F\n0.252998 0.747002 0.252998 F\n0.747002 0.252998 0.252998 F\n0.747002 0.747002 0.252997 F\n0.252998 0.252998 0.747002 F\n0.747002 0.252998 0.747002 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"F"
],
"chemical_system": "Cr-F-Zr",
"density": 3.0737727267739796,
"density_atomic": 0.05757367028021248,
"volume": 138.95240586649768,
"volume_molar": 10.459886838358734,
"formula_full": "Zr1 Cr1 F6",
"formula_reduced": "ZrCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7887154493750002,
"spacegroup": 225
},
{
"id": "jvasp-34486",
"created_at": "2022-09-04T14:37:19.819420Z",
"updated_at": "2022-09-04T14:37:19.819443Z",
"structure_string": "Zr1 Cr1 F6\n1.0\n5.034901 0.000000 2.906901\n1.678300 4.746951 2.906901\n0.000000 0.000000 5.813804\nZr Cr F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.252998 0.747002 0.747002 F\n0.252998 0.747002 0.252998 F\n0.747002 0.252998 0.252998 F\n0.747002 0.747002 0.252997 F\n0.252998 0.252998 0.747002 F\n0.747002 0.252998 0.747002 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"F"
],
"chemical_system": "Cr-F-Zr",
"density": 3.0737727267739796,
"density_atomic": 0.05757367028021248,
"volume": 138.95240586649768,
"volume_molar": 10.459886838358734,
"formula_full": "Zr1 Cr1 F6",
"formula_reduced": "ZrCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7887154493750002,
"spacegroup": 225
},
{
"id": "jvasp-109801",
"created_at": "2022-09-04T14:38:49.858161Z",
"updated_at": "2022-09-04T14:38:49.858192Z",
"structure_string": "Zr1 Cr1 Cu1 S4\n1.0\n6.165402 0.022818 3.087566\n5.106916 3.454289 3.087566\n0.108728 0.033539 6.047609\nZr Cr Cu S\n1 1 1 4\ndirect\n0.755325 0.755326 0.232537 Zr\n0.244694 0.244695 0.771844 Cr\n0.497605 0.497606 0.477610 Cu\n0.382347 0.382348 0.935438 S\n0.623006 0.623007 0.039775 S\n0.865795 0.865796 0.487461 S\n0.131227 0.131228 0.555339 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Zr",
"density": 4.386370838611093,
"density_atomic": 0.05519193829186047,
"volume": 126.83011716282371,
"volume_molar": 10.911268830883088,
"formula_full": "Zr1 Cr1 Cu1 S4",
"formula_reduced": "ZrCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.503500335714287,
"spacegroup": 8
},
{
"id": "jvasp-117394",
"created_at": "2022-09-04T14:38:27.252775Z",
"updated_at": "2022-09-04T14:38:27.252801Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.648823 0.000000 -6.114781\n0.000000 3.593641 0.000000\n-0.079978 -0.000000 6.171207\nZr Cr Ag S\n2 2 2 8\ndirect\n0.752012 0.000000 0.754970 Zr\n0.747988 0.500000 0.245030 Zr\n0.242009 0.000000 0.226927 Cr\n0.257991 0.500000 0.773073 Cr\n0.015525 0.500000 0.501763 Ag\n0.484474 0.000000 0.498237 Ag\n0.142899 0.500000 0.973712 S\n0.873599 0.500000 0.038767 S\n0.626401 0.000000 0.961233 S\n0.357101 0.000000 0.026288 S\n0.154458 0.000000 0.487841 S\n0.871084 0.000000 0.541007 S\n0.628915 0.500000 0.458994 S\n0.345541 0.500000 0.512160 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.519514603376853,
"density_atomic": 0.05022299344025439,
"volume": 278.75678132675415,
"volume_molar": 11.990804106816093,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5346984514285724,
"spacegroup": 11
},
{
"id": "jvasp-119683",
"created_at": "2022-09-04T14:38:52.443035Z",
"updated_at": "2022-09-04T14:38:52.443060Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.387239 0.019769 0.076491\n0.122001 7.386258 0.076491\n0.039747 0.039201 10.546718\nZr Cr Ag S\n4 4 4 16\ndirect\n-0.000125 0.249704 0.624781 Zr\n0.749704 -0.000125 0.374781 Zr\n0.499875 0.749704 0.124781 Zr\n0.249704 0.499875 0.874781 Zr\n0.000059 0.750066 0.625068 Cr\n0.750066 0.500059 0.875068 Cr\n0.250066 0.000059 0.375068 Cr\n0.500059 0.250066 0.125068 Cr\n0.985123 0.515195 0.250161 Ag\n0.485123 0.015195 0.750161 Ag\n0.515195 0.485123 0.500161 Ag\n0.015195 0.985123 0.000161 Ag\n0.772363 0.516214 0.644273 S\n0.992805 0.269668 0.868588 S\n0.227943 0.983841 0.605919 S\n0.516214 0.272363 0.894273 S\n0.269667 0.492805 0.118588 S\n0.507013 0.730135 0.881210 S\n0.730135 0.007013 0.131210 S\n0.769668 0.992805 0.618588 S\n0.272363 0.016214 0.144273 S\n0.492805 0.769668 0.368588 S\n0.727943 0.483841 0.105919 S\n0.016214 0.772363 0.394273 S\n0.983841 0.727943 0.855919 S\n0.007013 0.230135 0.381210 S\n0.483841 0.227943 0.355919 S\n0.230135 0.507013 0.631210 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.379008780387093,
"density_atomic": 0.04866162598255002,
"volume": 575.4020634255163,
"volume_molar": 12.375543641224668,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5282184514285726,
"spacegroup": 74
},
{
"id": "jvasp-75850",
"created_at": "2022-09-04T14:36:01.597698Z",
"updated_at": "2022-09-04T14:36:01.597719Z",
"structure_string": "Zr1 Cr2 As1\n1.0\n0.000000 3.102124 3.102124\n3.102124 -0.000000 3.102124\n3.102124 3.102124 0.000000\nZr Cr As\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Cr\n0.749999 0.749999 0.749999 Cr\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"As"
],
"chemical_system": "As-Cr-Zr",
"density": 7.513235455836871,
"density_atomic": 0.06699656470691384,
"volume": 59.704553770757926,
"volume_molar": 8.988730670512325,
"formula_full": "Zr1 Cr2 As1",
"formula_reduced": "ZrCr2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.101397762500001,
"spacegroup": 216
},
{
"id": "jvasp-57669",
"created_at": "2022-09-04T14:38:33.274023Z",
"updated_at": "2022-09-04T14:38:33.274056Z",
"structure_string": "Zr4 Cr8\n1.0\n2.540814 -4.400820 0.000000\n2.540814 4.400820 -0.000000\n-0.000000 -0.000000 8.070107\nZr Cr\n4 8\ndirect\n0.333332 0.666666 0.059983 Zr\n0.666666 0.333332 0.559983 Zr\n0.666666 0.333332 0.940017 Zr\n0.333332 0.666666 0.440017 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.335024 0.167512 0.250000 Cr\n0.167512 0.335024 0.750000 Cr\n0.167512 0.832487 0.750000 Cr\n0.832487 0.167512 0.250000 Cr\n0.832486 0.664974 0.250000 Cr\n0.664974 0.832486 0.750000 Cr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Cr"
],
"chemical_system": "Cr-Zr",
"density": 7.184708879968847,
"density_atomic": 0.06649140011394536,
"volume": 180.47446706545165,
"volume_molar": 9.057022035451116,
"formula_full": "Zr4 Cr8",
"formula_reduced": "ZrCr2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.098713100000001,
"spacegroup": 194
}
]
}