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=nsites&page=3468",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3466",
"results": [
{
"id": "jvasp-101947",
"created_at": "2022-09-04T14:36:44.689260Z",
"updated_at": "2022-09-04T14:36:44.689279Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.473569 0.021861 0.823857\n1.527602 4.764562 1.136806\n0.071083 -0.114394 7.167955\nCd H C O\n1 4 4 4\ndirect\n0.666403 0.239554 0.728428 Cd\n0.133436 0.976990 0.250497 H\n0.604315 0.027150 0.170926 H\n0.415354 0.488125 0.205474 H\n0.851351 0.454251 0.286783 H\n0.497199 0.880897 0.469929 C\n0.452357 0.879723 0.264649 C\n0.639198 0.595189 0.192481 C\n0.886264 0.599011 0.987773 C\n0.335032 0.124274 0.532176 O\n0.705093 0.668224 0.564289 O\n-0.029147 0.814126 0.896627 O\n0.031395 0.357284 0.923313 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.2038670359468435,
"density_atomic": 0.10977780487412098,
"volume": 118.42102340183175,
"volume_molar": 5.48575439899296,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.930437980769232,
"spacegroup": 5
},
{
"id": "jvasp-50066",
"created_at": "2022-09-04T14:36:56.611856Z",
"updated_at": "2022-09-04T14:36:56.611864Z",
"structure_string": "Y4 Cu2 O7\n1.0\n8.332462 0.000000 0.048136\n-2.048184 1.832040 5.687697\n-2.048184 -1.832040 5.687697\nY Cu O\n4 2 7\ndirect\n0.162779 0.357542 0.357542 Y\n0.321132 0.662835 0.662835 Y\n0.678869 0.337166 0.337166 Y\n0.837222 0.642459 0.642459 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.120491 0.749013 0.749013 O\n0.000001 0.500000 0.500000 O\n0.711749 0.986102 0.986102 O\n0.387293 0.280408 0.280408 O\n0.612708 0.719593 0.719593 O\n0.288252 0.013899 0.013899 O\n0.879510 0.250988 0.250988 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 5.6751578118109265,
"density_atomic": 0.07470782279983057,
"volume": 174.01122817929962,
"volume_molar": 8.060923922432469,
"formula_full": "Y4 Cu2 O7",
"formula_reduced": "Y4Cu2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.383520553846154,
"spacegroup": 12
},
{
"id": "jvasp-58188",
"created_at": "2022-09-04T14:36:56.347962Z",
"updated_at": "2022-09-04T14:36:56.347979Z",
"structure_string": "Ba1 Ti4 O8\n1.0\n2.851781 -4.939430 0.000000\n2.851781 4.939430 -0.000000\n-0.000000 0.000000 7.556987\nBa Ti O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.246669 Ti\n0.666667 0.333333 0.246669 Ti\n0.333333 0.666667 0.753332 Ti\n0.666667 0.333333 0.753332 Ti\n0.642940 0.642940 0.291012 O\n-0.000000 0.357060 0.291012 O\n0.357060 -0.000000 0.291012 O\n0.357060 0.357060 0.708988 O\n0.642940 -0.000000 0.708988 O\n-0.000000 0.642940 0.708988 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 3.5628225984276662,
"density_atomic": 0.06106209143162779,
"volume": 212.89804681119236,
"volume_molar": 9.862323118662072,
"formula_full": "Ba1 Ti4 O8",
"formula_reduced": "BaTi4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.017181331025641,
"spacegroup": 162
},
{
"id": "jvasp-57887",
"created_at": "2022-09-04T14:36:50.874657Z",
"updated_at": "2022-09-04T14:36:50.874688Z",
"structure_string": "Ba1 Co4 O8\n1.0\n2.666820 -4.619068 -0.000000\n2.666820 4.619068 -0.000000\n0.000000 0.000000 7.198612\nBa Co O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.251068 Co\n0.666667 0.333333 0.251068 Co\n0.333333 0.666667 0.748931 Co\n0.666667 0.333333 0.748931 Co\n0.641221 0.641221 0.310300 O\n-0.000000 0.358779 0.310300 O\n0.358779 -0.000000 0.310300 O\n0.358779 0.358779 0.689700 O\n0.641221 -0.000000 0.689700 O\n-0.000000 0.641221 0.689700 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Co",
"O"
],
"chemical_system": "Ba-Co-O",
"density": 4.691456128498972,
"density_atomic": 0.07330211934114224,
"volume": 177.34821471530765,
"volume_molar": 8.215507019617585,
"formula_full": "Ba1 Co4 O8",
"formula_reduced": "Ba(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.948774428461539,
"spacegroup": 162
},
{
"id": "jvasp-32687",
"created_at": "2022-09-04T14:36:44.643968Z",
"updated_at": "2022-09-04T14:36:44.643995Z",
"structure_string": "Co1 Sn1 C4 Cl3 O4\n1.0\n6.376165 -0.002055 -1.120337\n-1.334865 6.234734 -1.120848\n-0.001147 -0.001934 6.473672\nCo Sn C Cl O\n1 1 4 3 4\ndirect\n0.270842 0.270852 0.270840 Co\n-0.007478 -0.007494 -0.007479 Sn\n0.299386 0.053635 0.406939 C\n0.406976 0.299395 0.053619 C\n0.053622 0.406951 0.299392 C\n0.468380 0.468427 0.468400 C\n0.672169 0.878360 0.105963 Cl\n0.105918 0.672153 0.878356 Cl\n0.878378 0.105911 0.672184 Cl\n0.496812 0.321009 0.917247 O\n0.594920 0.594975 0.594955 O\n0.917247 0.496757 0.321022 O\n0.321015 0.917266 0.496751 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Co",
"Sn",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-O-Sn",
"density": 2.555845112563648,
"density_atomic": 0.05052273921222027,
"volume": 257.3098807131899,
"volume_molar": 11.919664004566451,
"formula_full": "Co1 Sn1 C4 Cl3 O4",
"formula_reduced": "CoSnC4Cl3O4",
"formula_anonymous": "ABC3D4E4",
"energy_above_hull": 3.510817600192308,
"spacegroup": 146
},
{
"id": "jvasp-10822",
"created_at": "2022-09-04T14:36:50.039429Z",
"updated_at": "2022-09-04T14:36:50.039464Z",
"structure_string": "Ca1 Cr4 S8\n1.0\n7.007911 0.081133 0.057370\n3.574219 6.190728 -0.000000\n3.574219 2.063576 5.836675\nCa Cr S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Ca\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.251709 0.265656 0.265656 S\n0.251708 0.265656 0.716980 S\n0.251709 0.716980 0.265656 S\n0.721251 0.259583 0.259583 S\n0.278748 0.740417 0.740418 S\n0.748291 0.734344 0.283020 S\n0.748291 0.283020 0.734345 S\n0.748291 0.734344 0.734345 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"S"
],
"chemical_system": "Ca-Cr-S",
"density": 3.342425403604168,
"density_atomic": 0.05185896921382542,
"volume": 250.6798765397413,
"volume_molar": 11.612534632474953,
"formula_full": "Ca1 Cr4 S8",
"formula_reduced": "Ca(CrS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.132506155384616,
"spacegroup": 166
},
{
"id": "jvasp-10818",
"created_at": "2022-09-04T14:36:43.479375Z",
"updated_at": "2022-09-04T14:36:43.479390Z",
"structure_string": "Mg1 Mn4 S8\n1.0\n6.878561 0.006076 0.004296\n3.444542 5.966120 0.000000\n3.444542 1.988707 5.624914\nMg Mn S\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500001 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.259321 0.256848 0.256848 S\n0.259320 0.256849 0.726984 S\n0.259321 0.726984 0.256848 S\n0.727599 0.257467 0.257467 S\n0.272400 0.742534 0.742533 S\n0.740678 0.743153 0.273016 S\n0.740678 0.273017 0.743152 S\n0.740678 0.743153 0.743152 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.603686685270733,
"density_atomic": 0.056359902433984824,
"volume": 230.66044188467305,
"volume_molar": 10.685151144563852,
"formula_full": "Mg1 Mn4 S8",
"formula_reduced": "Mg(MnS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8971498473474804,
"spacegroup": 166
},
{
"id": "jvasp-11308",
"created_at": "2022-09-04T14:36:43.244160Z",
"updated_at": "2022-09-04T14:36:43.244186Z",
"structure_string": "V3 Zn2 O8\n1.0\n4.825497 0.203734 -1.128976\n-0.846117 5.028783 -2.709006\n0.279310 -0.158764 5.772200\nV Zn O\n3 2 8\ndirect\n0.500000 -0.000002 -0.000001 V\n-0.000000 0.732424 -0.000000 V\n0.000000 0.267574 0.000000 V\n0.594812 0.713810 0.427619 Zn\n0.405188 0.286191 0.572381 Zn\n0.111638 0.391836 0.783671 O\n0.888361 0.608163 0.216327 O\n0.132908 0.901240 0.802480 O\n0.867092 0.098758 0.197518 O\n0.363646 0.347341 0.234572 O\n0.363646 0.887231 0.234572 O\n0.636354 0.112768 0.765427 O\n0.636353 0.652658 0.765426 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.873036332179579,
"density_atomic": 0.09267844988556005,
"volume": 140.26993347485293,
"volume_molar": 6.497886798318464,
"formula_full": "V3 Zn2 O8",
"formula_reduced": "V3Zn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5909124153846155,
"spacegroup": 12
},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Br"
],
"chemical_system": "Br-Hg-Pd-Rb",
"density": 5.287629048457458,
"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
"volume_molar": 19.170546476984736,
"formula_full": "Rb2 Hg2 Pd1 Br8",
"formula_reduced": "Rb2Hg2PdBr8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-101945",
"created_at": "2022-09-04T14:36:43.150419Z",
"updated_at": "2022-09-04T14:36:43.150439Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.657038 -0.078462 -0.106265\n-1.124614 4.400027 -0.270047\n0.061925 -0.053981 7.531503\nCd H C O\n1 4 4 4\ndirect\n0.362299 0.764708 0.266674 Cd\n0.588179 0.975275 0.668755 H\n0.046379 0.997546 0.747351 H\n0.678120 0.531869 0.785988 H\n0.136319 0.554133 0.864587 H\n0.031151 0.245251 0.522165 C\n0.868290 0.137405 0.696759 C\n0.856203 0.392004 0.836585 C\n0.693337 0.284179 0.011181 C\n0.960856 0.050487 0.384873 O\n0.239739 0.515452 0.518679 O\n0.484662 0.014008 0.014669 O\n0.763711 0.478940 0.148476 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.1486996658427278,
"density_atomic": 0.10788754141350947,
"volume": 120.49584066591923,
"volume_molar": 5.5818685652669044,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9290241346153856,
"spacegroup": 2
},
{
"id": "jvasp-103961",
"created_at": "2022-09-04T14:36:57.557926Z",
"updated_at": "2022-09-04T14:36:57.557958Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.587550 0.104707 0.637874\n0.682357 4.734295 0.625042\n0.044921 0.181196 7.451775\nCd H C O\n1 4 4 4\ndirect\n0.828083 0.449627 0.306017 Cd\n0.383756 0.019902 0.824309 H\n-0.006423 0.928601 0.763761 H\n0.734644 0.509321 0.707323 H\n0.273418 0.435295 0.773972 H\n0.441896 -0.001309 0.540570 C\n0.303030 0.883975 0.737150 C\n0.463966 0.573631 0.794054 C\n0.526321 0.507957 0.992401 C\n0.299568 0.261379 0.487422 O\n0.712468 0.863278 0.440721 O\n0.325139 0.659476 0.115001 O\n0.790045 0.306029 0.031834 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.021409621542245,
"density_atomic": 0.10352605528163979,
"volume": 125.57225294283509,
"volume_molar": 5.817029098246747,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9317002884615393,
"spacegroup": 1
},
{
"id": "jvasp-43907",
"created_at": "2022-09-04T14:36:57.770491Z",
"updated_at": "2022-09-04T14:36:57.770512Z",
"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.636598 0.000000 0.000000\n2.818299 4.881437 0.000000\n0.000000 -3.254292 4.679222\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.235228 0.028042 0.792814 O\n0.235228 0.529544 0.792814 O\n0.267424 0.465154 0.197731 O\n0.736730 0.028042 0.792814 O\n0.263270 0.971959 0.207186 O\n0.732577 0.534847 0.802268 O\n0.764772 0.470456 0.207186 O\n0.764772 0.971959 0.207186 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.729231909436491,
"density_atomic": 0.10097292826078673,
"volume": 128.74738035153732,
"volume_molar": 5.964114207370892,
"formula_full": "Li1 Mn1 Co3 O8",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.116946764721485,
"spacegroup": 166
}
]
}