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=3823",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3821",
"results": [
{
"id": "jvasp-98216",
"created_at": "2022-09-04T14:35:58.697717Z",
"updated_at": "2022-09-04T14:35:58.697734Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.277238 0.000000 0.000000\n0.000000 5.352945 0.000000\n0.000000 0.000000 7.483877\nCa Cr O\n4 4 12\ndirect\n0.008353 0.957891 0.750000 Ca\n0.508353 0.542109 0.250000 Ca\n0.491647 0.457890 0.750000 Ca\n0.991647 0.042108 0.250000 Ca\n0.500000 0.000000 0.500000 Cr\n0.000000 0.499999 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.499999 0.500000 Cr\n0.791110 0.790196 0.462077 O\n0.291109 0.709802 0.537924 O\n0.927379 0.514045 0.750000 O\n0.291109 0.709802 0.962076 O\n0.791110 0.790196 0.037923 O\n0.208891 0.209803 0.537924 O\n0.708891 0.290198 0.462077 O\n0.072621 0.485954 0.250000 O\n0.572621 0.014045 0.750000 O\n0.427379 0.985955 0.250000 O\n0.708891 0.290198 0.037923 O\n0.208891 0.209803 0.962076 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.400836615841389,
"density_atomic": 0.0946027786061826,
"volume": 211.41028091000422,
"volume_molar": 6.365712348755932,
"formula_full": "Ca4 Cr4 O12",
"formula_reduced": "CaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9337896639999996,
"spacegroup": 62
},
{
"id": "jvasp-116781",
"created_at": "2022-09-04T14:38:33.609677Z",
"updated_at": "2022-09-04T14:38:33.609704Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.277239 0.000020 -0.000012\n-0.000021 5.352970 -0.000028\n0.000007 0.000037 7.483744\nCa Cr O\n4 4 12\ndirect\n0.991643 0.042138 0.249999 Ca\n0.491640 0.457861 0.750000 Ca\n0.508357 0.542143 0.249999 Ca\n0.008361 0.957857 0.750000 Ca\n0.500005 -0.000001 -0.000000 Cr\n-0.000004 0.500001 -0.000001 Cr\n0.000003 0.500004 0.500002 Cr\n0.499997 -0.000005 0.500001 Cr\n0.208867 0.209790 0.962074 O\n0.708866 0.290212 0.037926 O\n0.291135 0.709789 0.962074 O\n0.791136 0.790212 0.037926 O\n0.208865 0.209790 0.537925 O\n0.427386 0.985954 0.249999 O\n0.072615 0.485953 0.249999 O\n0.572617 0.014049 0.749999 O\n0.291134 0.709789 0.537925 O\n0.927384 0.514046 0.750000 O\n0.708865 0.290212 0.462074 O\n0.791134 0.790212 0.462074 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.4008934391240215,
"density_atomic": 0.09460400011038639,
"volume": 211.407551231063,
"volume_molar": 6.365630156201863,
"formula_full": "Ca4 Cr4 O12",
"formula_reduced": "CaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9337856639999995,
"spacegroup": 62
},
{
"id": "jvasp-45530",
"created_at": "2022-09-04T14:37:10.220546Z",
"updated_at": "2022-09-04T14:37:10.220564Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.283861 0.000000 0.000000\n0.000000 5.357856 0.000000\n0.000000 0.000000 7.492006\nCa Cr O\n4 4 12\ndirect\n0.008274 0.041803 0.750000 Ca\n0.508274 0.458198 0.250000 Ca\n0.491726 0.541803 0.750000 Ca\n0.991726 0.958198 0.250000 Ca\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.790786 0.210071 0.037705 O\n0.290786 0.289929 0.962295 O\n0.709214 0.710071 0.037705 O\n0.209214 0.789930 0.962295 O\n0.790786 0.210071 0.462295 O\n0.572165 0.986024 0.750000 O\n0.927835 0.486024 0.750000 O\n0.427835 0.013976 0.250000 O\n0.709214 0.710071 0.462295 O\n0.072165 0.513977 0.250000 O\n0.290786 0.289929 0.537705 O\n0.209214 0.789930 0.537705 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.3865270384541155,
"density_atomic": 0.09429517214411957,
"volume": 212.09993624522204,
"volume_molar": 6.386478356278765,
"formula_full": "Ca4 Cr4 O12",
"formula_reduced": "CaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.936275664,
"spacegroup": 62
},
{
"id": "jvasp-9457",
"created_at": "2022-09-04T14:38:09.432298Z",
"updated_at": "2022-09-04T14:38:09.432312Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.068958 0.003986 0.004884\n-0.011000 8.151933 0.061724\n-0.012580 -0.905185 8.444733\nCa Cr O\n4 4 8\ndirect\n0.751979 0.931490 0.334953 Ca\n0.251983 0.088591 0.693249 Ca\n0.751995 0.195995 0.055228 Ca\n0.251974 0.824092 0.972974 Ca\n0.752009 0.728325 0.622933 Cr\n0.251945 0.562193 0.213081 Cr\n0.752025 0.457899 0.815131 Cr\n0.251959 0.291744 0.405263 Cr\n0.751967 0.186678 0.511278 O\n0.252021 0.615831 0.750467 O\n0.751940 0.404261 0.277743 O\n0.252002 0.833392 0.516911 O\n0.751983 0.973393 0.848217 O\n0.751953 0.695762 0.140945 O\n0.251977 0.046696 0.179981 O\n0.252017 0.324320 0.887255 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 3.8975737086723687,
"density_atomic": 0.07567079516707216,
"volume": 211.44220785144248,
"volume_molar": 7.958342114291025,
"formula_full": "Ca4 Cr4 O8",
"formula_reduced": "CaCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7199187049999998,
"spacegroup": 11
},
{
"id": "jvasp-9850",
"created_at": "2022-09-04T14:38:08.974658Z",
"updated_at": "2022-09-04T14:38:08.974675Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.068118 0.017062 0.002914\n1.485812 8.519099 -0.020270\n1.523193 0.485039 8.605286\nCa Cr O\n4 4 8\ndirect\n0.380061 0.302839 0.937052 Ca\n0.595889 0.725368 0.083037 Ca\n0.791744 0.097480 0.319102 Ca\n0.184199 0.930726 0.700981 Ca\n0.817101 0.603167 0.762751 Cr\n0.567940 0.250820 0.613420 Cr\n0.408004 0.777383 0.406666 Cr\n0.158850 0.425032 0.257330 Cr\n0.567753 0.558084 0.306540 O\n0.824398 0.786604 0.564698 O\n0.151545 0.241598 0.455389 O\n0.408202 0.470121 0.713537 O\n0.195957 0.729182 0.879086 O\n0.022866 0.184820 0.769402 O\n0.780000 0.299011 0.140999 O\n0.953090 0.843381 0.250677 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 3.6676523066005573,
"density_atomic": 0.07120690644522717,
"volume": 224.6973053422466,
"volume_molar": 8.457242507273182,
"formula_full": "Ca4 Cr4 O8",
"formula_reduced": "CaCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7627537049999995,
"spacegroup": 12
},
{
"id": "jvasp-120951",
"created_at": "2022-09-04T14:38:54.177396Z",
"updated_at": "2022-09-04T14:38:54.177423Z",
"structure_string": "Ca1 Cr1 O2\n1.0\n1.588318 0.917016 4.980926\n-1.588318 0.917016 4.980926\n0.000000 -1.834032 4.980926\nCa Cr O\n1 1 2\ndirect\n0.500001 0.500001 0.499998 Ca\n0.000000 0.000000 0.000000 Cr\n0.263828 0.263828 0.263827 O\n0.736174 0.736174 0.736170 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.73315056378072,
"density_atomic": 0.09189339152453477,
"volume": 43.528701396683495,
"volume_molar": 6.5533991727709155,
"formula_full": "Ca1 Cr1 O2",
"formula_reduced": "CaCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7326162049999998,
"spacegroup": 166
},
{
"id": "jvasp-102235",
"created_at": "2022-09-04T14:36:41.813051Z",
"updated_at": "2022-09-04T14:36:41.813060Z",
"structure_string": "Ca2 Cr2 N4\n1.0\n3.675740 -0.000000 -0.000000\n-0.000000 3.675740 -0.000000\n-0.000000 0.000000 7.335755\nCa Cr N\n2 2 4\ndirect\n0.750000 0.750000 0.160056 Ca\n0.250000 0.250000 0.839945 Ca\n0.750000 0.750000 0.593892 Cr\n0.250000 0.250000 0.406109 Cr\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.835179 N\n0.250000 0.250000 0.164821 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"N"
],
"chemical_system": "Ca-Cr-N",
"density": 4.0238567350276675,
"density_atomic": 0.08071525067899583,
"volume": 99.11385931037942,
"volume_molar": 7.460970150424267,
"formula_full": "Ca2 Cr2 N4",
"formula_reduced": "CaCrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4171435800000003,
"spacegroup": 129
},
{
"id": "jvasp-8379",
"created_at": "2022-09-04T14:36:47.299240Z",
"updated_at": "2022-09-04T14:36:47.299265Z",
"structure_string": "Ca1 Cr2 N2\n1.0\n3.191956 0.000000 0.000000\n0.000000 3.191967 0.000000\n0.000000 0.000000 7.248182\nCa Cr N\n1 2 2\ndirect\n0.000000 0.000000 0.750009 Ca\n0.500001 0.500000 0.097594 Cr\n0.500001 0.500000 0.402400 Cr\n0.000000 0.500000 0.520773 N\n0.500001 0.000000 0.979224 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"N"
],
"chemical_system": "Ca-Cr-N",
"density": 3.8694051173931423,
"density_atomic": 0.06770576127666593,
"volume": 73.84895916860766,
"volume_molar": 8.894576541856958,
"formula_full": "Ca1 Cr2 N2",
"formula_reduced": "Ca(CrN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.089122344,
"spacegroup": 115
},
{
"id": "jvasp-27712",
"created_at": "2022-09-04T14:37:03.026006Z",
"updated_at": "2022-09-04T14:37:03.026039Z",
"structure_string": "Ca2 Cr2 Ge4 O12\n1.0\n5.381517 -0.120749 1.074612\n1.214935 6.667994 0.837243\n-0.127878 0.127123 6.826908\nCa Cr Ge O\n2 2 4 12\ndirect\n0.750001 0.308843 0.691156 Ca\n0.250001 0.691155 0.308844 Ca\n0.750001 0.911838 0.088160 Cr\n0.250000 0.088161 0.911839 Cr\n0.776511 0.387321 0.183639 Ge\n0.723491 0.816360 0.612678 Ge\n0.223490 0.612678 0.816361 Ge\n0.276511 0.183639 0.387322 Ge\n0.625434 0.982934 0.804956 O\n0.874568 0.195043 0.017064 O\n0.649068 0.637093 0.103850 O\n0.850934 0.896149 0.362906 O\n0.350933 0.362906 0.896150 O\n0.969137 0.603290 0.676778 O\n0.030864 0.396709 0.323222 O\n0.469137 0.676778 0.603290 O\n0.125434 0.804956 0.982935 O\n0.530865 0.323221 0.396709 O\n0.149067 0.103850 0.637094 O\n0.374567 0.017065 0.195043 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Ge",
"O"
],
"chemical_system": "Ca-Cr-Ge-O",
"density": 4.491205473253921,
"density_atomic": 0.08113583615853068,
"volume": 246.50020196898146,
"volume_molar": 7.422294568128178,
"formula_full": "Ca2 Cr2 Ge4 O12",
"formula_reduced": "CaCr(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2383100720000004,
"spacegroup": 15
},
{
"id": "jvasp-8250",
"created_at": "2022-09-04T14:37:05.800578Z",
"updated_at": "2022-09-04T14:37:05.800604Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n5.657061 0.111057 0.076569\n3.214544 4.656327 0.076569\n3.214544 1.727417 4.324728\nCa Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499998 0.500001 0.500000 Cr\n0.134058 0.427657 0.715164 F\n0.427655 0.715165 0.134060 F\n0.715163 0.134060 0.427657 F\n0.284834 0.865942 0.572344 F\n0.572342 0.284837 0.865941 F\n0.865939 0.572345 0.284837 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F",
"density": 3.0845627531090782,
"density_atomic": 0.07211594178682015,
"volume": 110.93247625675566,
"volume_molar": 8.350637335919258,
"formula_full": "Ca1 Cr1 F6",
"formula_reduced": "CaCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1085199393749999,
"spacegroup": 148
},
{
"id": "jvasp-100463",
"created_at": "2022-09-04T14:36:31.549479Z",
"updated_at": "2022-09-04T14:36:31.549498Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.683182 0.109275 3.175331\n1.740464 4.349129 3.175331\n0.157443 0.109275 5.655982\nCa Cr F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cr\n0.927493 0.215186 0.634201 F\n0.215185 0.634202 0.927493 F\n0.365798 0.072507 0.784813 F\n0.784813 0.365799 0.072507 F\n0.072506 0.784814 0.365799 F\n0.634200 0.927493 0.215187 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F",
"density": 3.083151050446784,
"density_atomic": 0.07208293669820208,
"volume": 110.98326963972791,
"volume_molar": 8.35446089719345,
"formula_full": "Ca1 Cr1 F6",
"formula_reduced": "CaCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1085036893749999,
"spacegroup": 148
},
{
"id": "jvasp-92982",
"created_at": "2022-09-04T14:35:47.932450Z",
"updated_at": "2022-09-04T14:35:47.932469Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.656820 0.077098 3.213382\n1.727523 4.325226 3.213381\n0.111809 0.077098 5.656791\nCa Cr F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Cr\n0.365936 0.072356 0.784835 F\n0.072355 0.784837 0.365935 F\n0.215164 0.634065 0.927643 F\n0.927644 0.215165 0.634063 F\n0.634063 0.927646 0.215164 F\n0.784835 0.365937 0.072355 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F",
"density": 3.0845615644582773,
"density_atomic": 0.07211591399660194,
"volume": 110.93251900512493,
"volume_molar": 8.35064055387797,
"formula_full": "Ca1 Cr1 F6",
"formula_reduced": "CaCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1085036893749999,
"spacegroup": 148
}
]
}