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=3413",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3411",
"results": [
{
"id": "jvasp-63625",
"created_at": "2022-09-04T14:35:43.297773Z",
"updated_at": "2022-09-04T14:35:43.297800Z",
"structure_string": "Ca4 Al4 Au4\n1.0\n4.531044 -0.000000 0.000000\n-0.000000 7.294235 0.000000\n0.000000 0.000000 7.784918\nCa Al Au\n4 4 4\ndirect\n0.250000 0.015476 0.682774 Ca\n0.749999 0.484524 0.182773 Ca\n0.749999 0.984525 0.317227 Ca\n0.250000 0.515476 0.817227 Ca\n0.250000 0.156822 0.069181 Al\n0.749999 0.343178 0.569181 Al\n0.749999 0.843178 0.930820 Al\n0.250000 0.656823 0.430820 Al\n0.250000 0.291039 0.388258 Au\n0.749999 0.208961 0.888258 Au\n0.749999 0.708962 0.611742 Au\n0.250000 0.791039 0.111742 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ca",
"density": 6.815910656731283,
"density_atomic": 0.04663899388933526,
"volume": 257.2954302675039,
"volume_molar": 12.912244149797274,
"formula_full": "Ca4 Al4 Au4",
"formula_reduced": "CaAlAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2344669299999999,
"spacegroup": 62
},
{
"id": "jvasp-5191",
"created_at": "2022-09-04T14:35:46.021432Z",
"updated_at": "2022-09-04T14:35:46.021464Z",
"structure_string": "Sb4 S4 Br4\n1.0\n3.982502 0.000000 0.000000\n0.000000 8.326936 0.000000\n0.000000 0.000000 9.850393\nSb S Br\n4 4 4\ndirect\n0.262108 0.622941 0.366988 Sb\n0.762107 0.377059 0.633012 Sb\n0.762107 0.877059 0.866988 Sb\n0.262108 0.122941 0.133012 Sb\n0.762050 0.663166 0.547551 S\n0.762050 0.163166 0.952449 S\n0.262050 0.836834 0.047551 S\n0.262050 0.336834 0.452449 S\n0.762042 0.486599 0.175483 Br\n0.762042 0.986599 0.324517 Br\n0.262042 0.013402 0.675483 Br\n0.262042 0.513402 0.824517 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"Br"
],
"chemical_system": "Br-S-Sb",
"density": 4.752552275985762,
"density_atomic": 0.03673554259651384,
"volume": 326.6591195290739,
"volume_molar": 16.393226652847897,
"formula_full": "Sb4 S4 Br4",
"formula_reduced": "SbSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8443200683333335,
"spacegroup": 62
},
{
"id": "jvasp-85573",
"created_at": "2022-09-04T14:35:46.285060Z",
"updated_at": "2022-09-04T14:35:46.285077Z",
"structure_string": "V4 O8\n1.0\n4.807336 1.016650 0.376056\n1.560643 4.690353 -0.164651\n1.390302 -0.562025 7.336824\nV O\n4 8\ndirect\n0.137911 0.724036 0.000699 V\n0.862089 0.275964 -0.000697 V\n0.319319 0.082985 0.249521 V\n0.680681 0.917013 0.750480 V\n0.826153 0.839380 0.525589 O\n0.173847 0.160619 0.474411 O\n0.285023 0.940470 0.830057 O\n0.714978 0.059529 0.169944 O\n0.587634 0.310502 0.847098 O\n0.412367 0.689496 0.152903 O\n0.947966 0.589797 0.848918 O\n0.052034 0.410202 0.151082 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.6645974114949205,
"density_atomic": 0.07982387855498664,
"volume": 150.33095631570703,
"volume_molar": 7.544284829321656,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9254870666666672,
"spacegroup": 2
},
{
"id": "jvasp-86677",
"created_at": "2022-09-04T14:35:47.104565Z",
"updated_at": "2022-09-04T14:35:47.104578Z",
"structure_string": "La2 Al1 Ni9\n1.0\n5.002096 0.044831 0.000000\n-2.462223 4.354357 0.000000\n0.000000 0.000000 8.061012\nLa Al Ni\n2 1 9\ndirect\n0.000000 0.000000 0.015478 La\n0.000000 0.000000 0.484522 La\n0.500001 0.500000 0.750000 Al\n0.667961 0.332040 0.999575 Ni\n0.667961 0.332040 0.500425 Ni\n0.500001 0.500000 0.250000 Ni\n0.332041 0.667961 0.999575 Ni\n0.500000 -0.000000 0.750000 Ni\n0.000000 0.500000 0.250000 Ni\n0.500000 -0.000000 0.250000 Ni\n0.332041 0.667961 0.500425 Ni\n0.000000 0.500000 0.750000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Al",
"Ni"
],
"chemical_system": "Al-La-Ni",
"density": 7.838813112717576,
"density_atomic": 0.0680017692240043,
"volume": 176.4659969429745,
"volume_molar": 8.855858941202685,
"formula_full": "La2 Al1 Ni9",
"formula_reduced": "La2AlNi9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.4691437,
"spacegroup": 65
},
{
"id": "jvasp-14014",
"created_at": "2022-09-04T14:35:40.820748Z",
"updated_at": "2022-09-04T14:35:40.820769Z",
"structure_string": "Tb4 Mn4 Si4\n1.0\n4.157436 -0.000000 0.000000\n-0.000000 7.038494 0.000000\n0.000000 0.000000 7.411178\nTb Mn Si\n4 4 4\ndirect\n0.250000 0.501487 0.186388 Tb\n0.750001 0.498513 0.813613 Tb\n0.250000 0.001487 0.313612 Tb\n0.750001 0.998512 0.686388 Tb\n0.750001 0.860885 0.060272 Mn\n0.250000 0.139114 0.939728 Mn\n0.750001 0.360886 0.439728 Mn\n0.250000 0.639114 0.560272 Mn\n0.250000 0.792634 0.891915 Si\n0.750001 0.207365 0.108085 Si\n0.250000 0.292635 0.608086 Si\n0.750001 0.707365 0.391915 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tb",
"density": 7.4103747375199704,
"density_atomic": 0.055333569226404464,
"volume": 216.86654534972155,
"volume_molar": 10.88334051859122,
"formula_full": "Tb4 Mn4 Si4",
"formula_reduced": "TbMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.451241413793104,
"spacegroup": 62
},
{
"id": "jvasp-28634",
"created_at": "2022-09-04T14:35:40.909079Z",
"updated_at": "2022-09-04T14:35:40.909102Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.225049 0.000000 0.000000\n-1.612524 2.792974 -0.000008\n0.000000 -0.000097 34.140684\nMo W Se S\n1 3 2 6\ndirect\n0.333315 0.666629 0.093454 Mo\n0.333317 0.666633 0.472085 W\n0.666670 0.333339 0.282480 W\n0.666699 0.333396 0.654893 W\n0.333344 0.666688 0.332898 Se\n0.333328 0.666655 0.232062 Se\n0.333374 0.666747 0.700677 S\n0.666649 0.333296 0.047919 S\n0.666649 0.333296 0.426256 S\n0.666648 0.333295 0.139047 S\n0.666651 0.333300 0.517900 S\n0.333357 0.666713 0.609075 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.387708757799905,
"density_atomic": 0.03902166694677322,
"volume": 307.5214602279389,
"volume_molar": 15.432812668444916,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.399108552777777,
"spacegroup": 156
},
{
"id": "jvasp-86422",
"created_at": "2022-09-04T14:35:46.087725Z",
"updated_at": "2022-09-04T14:35:46.087751Z",
"structure_string": "Co4 As4 S4\n1.0\n5.601027 0.000000 -0.121961\n0.000000 5.637527 0.000000\n-0.122371 0.000000 5.635107\nCo As S\n4 4 4\ndirect\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.376883 0.123697 0.873255 As\n0.623117 0.876303 0.126746 As\n0.376883 0.376303 0.373254 As\n0.623118 0.623698 0.626747 As\n0.872983 0.380772 0.114916 S\n0.127017 0.619229 0.885085 S\n0.127017 0.880772 0.385085 S\n0.872984 0.119228 0.614916 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"As",
"S"
],
"chemical_system": "As-Co-S",
"density": 6.1966109618591805,
"density_atomic": 0.06747271498287029,
"volume": 177.8496686111788,
"volume_molar": 8.925297820798939,
"formula_full": "Co4 As4 S4",
"formula_reduced": "CoAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.12106755,
"spacegroup": 14
},
{
"id": "jvasp-61472",
"created_at": "2022-09-04T14:35:44.544519Z",
"updated_at": "2022-09-04T14:35:44.544536Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.336165 0.000000 0.000000\n-0.000000 7.376061 0.000000\n0.000000 0.000000 8.906668\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.047218 0.682313 Ca\n0.750001 0.452782 0.182312 Ca\n0.750001 0.952781 0.317688 Ca\n0.250000 0.547218 0.817688 Ca\n0.250000 0.140806 0.059855 Cd\n0.750001 0.359194 0.559855 Cd\n0.750001 0.859194 0.940145 Cd\n0.250000 0.640806 0.440145 Cd\n0.250000 0.242076 0.369997 Au\n0.750001 0.257924 0.869997 Au\n0.750001 0.757924 0.630003 Au\n0.250000 0.742076 0.130003 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 8.148083881533047,
"density_atomic": 0.0421245895862398,
"volume": 284.8692442553757,
"volume_molar": 14.296022392505783,
"formula_full": "Ca4 Cd4 Au4",
"formula_reduced": "CaCdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0080953333333333,
"spacegroup": 62
},
{
"id": "jvasp-14081",
"created_at": "2022-09-04T14:35:43.419493Z",
"updated_at": "2022-09-04T14:35:43.419518Z",
"structure_string": "Pd3 F9\n1.0\n2.553818 -4.423343 0.000000\n2.553818 4.423343 -0.000000\n0.000000 0.000000 7.418900\nPd F\n3 9\ndirect\n0.666667 0.333333 0.656752 Pd\n0.333333 0.666667 0.343248 Pd\n0.000000 0.000000 0.000000 Pd\n0.661032 0.710123 0.183664 F\n0.049091 0.338969 0.183664 F\n0.289878 0.950909 0.183664 F\n0.648319 0.000000 0.500000 F\n0.351681 0.351681 0.500000 F\n0.000000 0.648319 0.500000 F\n0.950909 0.289878 0.816336 F\n0.338969 0.049091 0.816336 F\n0.710123 0.661032 0.816336 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"F"
],
"chemical_system": "F-Pd",
"density": 4.856828336471966,
"density_atomic": 0.07159310071832746,
"volume": 167.6139164192963,
"volume_molar": 8.41162165009898,
"formula_full": "Pd3 F9",
"formula_reduced": "PdF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0132925,
"spacegroup": 150
},
{
"id": "jvasp-86713",
"created_at": "2022-09-04T14:35:46.455675Z",
"updated_at": "2022-09-04T14:35:46.455693Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.277750 -0.016784 6.410771\n1.930059 3.817630 6.410771\n-0.027411 -0.016784 7.706906\nK Na B H\n1 1 2 8\ndirect\n0.500000 0.500001 0.499999 K\n0.000000 0.000000 0.000000 Na\n0.254266 0.254266 0.254266 B\n0.745734 0.745736 0.745733 B\n0.802351 0.802353 0.802351 H\n0.514160 0.014241 0.653274 H\n0.485839 0.985761 0.346725 H\n0.346726 0.485841 0.985759 H\n0.653274 0.514161 0.014240 H\n0.197649 0.197649 0.197648 H\n0.014240 0.653275 0.514160 H\n0.985759 0.346727 0.485839 H\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"B",
"H"
],
"chemical_system": "B-H-K-Na",
"density": 1.199604832841177,
"density_atomic": 0.09446102154991183,
"volume": 127.03652578708748,
"volume_molar": 6.375265332926755,
"formula_full": "K1 Na1 B2 H8",
"formula_reduced": "KNa(BH4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8029560138888887,
"spacegroup": 148
},
{
"id": "jvasp-48817",
"created_at": "2022-09-04T14:35:43.834982Z",
"updated_at": "2022-09-04T14:35:43.835011Z",
"structure_string": "Fe4 O2 F6\n1.0\n-0.132598 4.657010 2.981537\n-0.132598 4.657010 -2.981537\n-4.657010 0.132598 -2.981537\nFe O F\n4 2 6\ndirect\n0.750000 0.750000 0.500001 Fe\n0.250000 0.250000 0.500000 Fe\n-0.000000 0.972949 0.027052 Fe\n0.500000 0.527052 0.972949 Fe\n0.500000 0.808902 0.691099 O\n-0.000000 0.691098 0.308902 O\n0.563188 0.250000 0.813188 F\n0.063188 0.750001 0.813188 F\n-0.000000 0.278319 0.721682 F\n0.500000 0.221682 0.278318 F\n0.936812 0.250000 0.186813 F\n0.436812 0.750000 0.186813 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.746543702418523,
"density_atomic": 0.09286433029122544,
"volume": 129.220767138121,
"volume_molar": 6.484880406841225,
"formula_full": "Fe4 O2 F6",
"formula_reduced": "Fe2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3411408912500002,
"spacegroup": 74
},
{
"id": "jvasp-98173",
"created_at": "2022-09-04T14:35:43.428611Z",
"updated_at": "2022-09-04T14:35:43.428632Z",
"structure_string": "Hf2 Tl2 Cu2 S6\n1.0\n3.705264 -0.000000 0.000000\n-1.852632 7.072946 -0.000000\n0.000000 0.000000 9.764228\nHf Tl Cu S\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.256365 0.512730 0.250000 Tl\n0.743635 0.487271 0.750000 Tl\n0.458222 0.916443 0.750000 Cu\n0.541778 0.083557 0.250000 Cu\n0.377260 0.754520 0.545901 S\n0.622740 0.245480 0.454100 S\n0.622740 0.245480 0.045900 S\n0.060092 0.120184 0.750000 S\n0.939908 0.879817 0.250000 S\n0.377260 0.754520 0.954100 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Hf",
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-Hf-S-Tl",
"density": 7.042273973563929,
"density_atomic": 0.04689470788433958,
"volume": 255.89241390727122,
"volume_molar": 12.841834466381407,
"formula_full": "Hf2 Tl2 Cu2 S6",
"formula_reduced": "HfTlCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.683966008333334,
"spacegroup": 63
}
]
}