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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=207",
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"results": [
{
"id": "jvasp-44742",
"created_at": "2022-09-04T14:36:38.199511Z",
"updated_at": "2022-09-04T14:36:38.199533Z",
"structure_string": "Li5 Ni5 Sn2 O12\n1.0\n5.197311 0.201975 -0.137312\n2.450416 4.587842 0.137312\n-0.698943 1.115978 9.816945\nLi Ni Sn O\n5 5 2 12\ndirect\n0.186671 0.680225 0.503359 Li\n0.322117 0.817290 0.992044 Li\n0.680224 0.186671 0.996640 Li\n0.817290 0.322117 0.507955 Li\n0.906921 0.906922 0.750000 Li\n0.087812 0.087812 0.250000 Ni\n0.997717 0.506504 0.995484 Ni\n0.506504 0.997717 0.504516 Ni\n0.419112 0.419112 0.250000 Ni\n0.579652 0.579652 0.750000 Ni\n0.753644 0.753644 0.250000 Sn\n0.246824 0.246824 0.750000 Sn\n0.786756 0.042838 0.372937 O\n0.955385 0.226629 0.875732 O\n0.226628 0.955385 0.624268 O\n0.138288 0.370620 0.368000 O\n0.370619 0.138288 0.132000 O\n0.291570 0.529472 0.872429 O\n0.529472 0.291570 0.627571 O\n0.461832 0.721828 0.371191 O\n0.721828 0.461832 0.128809 O\n0.615861 0.854443 0.869670 O\n0.854442 0.615861 0.630330 O\n0.042838 0.786756 0.127062 O\n",
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"elements": [
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"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 5.527496136112341,
"density_atomic": 0.10545309713772939,
"volume": 227.5893326172702,
"volume_molar": 5.710729152065253,
"formula_full": "Li5 Ni5 Sn2 O12",
"formula_reduced": "Li5Ni5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
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{
"id": "jvasp-101756",
"created_at": "2022-09-04T14:36:38.783223Z",
"updated_at": "2022-09-04T14:36:38.783246Z",
"structure_string": "Ba1 Sr2 N2\n1.0\n4.277754 -0.000933 -0.001660\n-2.139716 3.630572 0.023018\n0.000634 0.054708 7.465447\nBa Sr N\n1 2 2\ndirect\n0.046776 -0.001022 0.500003 Ba\n0.659672 0.334756 0.148515 Sr\n0.325119 0.665583 0.851510 Sr\n0.654377 0.340935 0.754211 N\n0.314111 0.659750 0.245763 N\n",
"nsites": 5,
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"elements": [
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"Sr",
"N"
],
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"density": 4.878623905502178,
"density_atomic": 0.04313190055004351,
"volume": 115.92347975018588,
"volume_molar": 13.962150248892579,
"formula_full": "Ba1 Sr2 N2",
"formula_reduced": "BaSr2N2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7792650179999998,
"spacegroup": 5
},
{
"id": "jvasp-100661",
"created_at": "2022-09-04T14:36:38.847109Z",
"updated_at": "2022-09-04T14:36:38.847144Z",
"structure_string": "Cr1 Ag1 P2 Se6\n1.0\n6.311937 -0.000279 0.885427\n-3.344706 5.352897 0.885427\n0.037617 0.067858 7.031831\nCr Ag P Se\n1 1 2 6\ndirect\n0.332680 0.667320 0.000000 Cr\n0.667614 0.332386 0.000000 Ag\n0.052840 0.052365 0.834360 P\n0.947636 0.947161 0.165641 P\n0.118912 0.437141 0.748857 Se\n0.397439 0.040316 0.744630 Se\n0.959685 0.602562 0.255371 Se\n0.562859 0.881089 0.251144 Se\n0.721830 0.761494 0.748600 Se\n0.238507 0.278171 0.251401 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ag",
"P",
"Se"
],
"chemical_system": "Ag-Cr-P-Se",
"density": 4.877214620036671,
"density_atomic": 0.04222608213172941,
"volume": 236.82045539540658,
"volume_molar": 14.261661172384398,
"formula_full": "Cr1 Ag1 P2 Se6",
"formula_reduced": "CrAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2332855860000005,
"spacegroup": 5
},
{
"id": "jvasp-101791",
"created_at": "2022-09-04T14:36:39.337334Z",
"updated_at": "2022-09-04T14:36:39.337359Z",
"structure_string": "H10 C18 S3\n1.0\n3.866327 0.008939 0.281604\n1.916818 5.739772 0.202334\n0.139200 -0.197176 14.609879\nH C S\n10 18 3\ndirect\n0.278547 0.842368 0.050690 H\n0.885579 0.985626 0.708650 H\n0.005703 0.077269 0.313475 H\n0.647362 0.088734 0.050056 H\n0.641851 0.148234 0.472022 H\n0.937028 0.842353 0.199389 H\n0.978442 0.077447 0.935251 H\n0.270813 0.148392 0.776804 H\n0.185339 0.985627 0.541623 H\n0.324841 0.088751 0.198623 H\n0.370156 0.604766 0.544004 C\n0.096518 0.675342 0.167449 C\n0.034481 0.826742 0.670252 C\n0.286840 0.675342 0.082338 C\n0.196282 0.826743 0.579758 C\n0.564541 0.520351 0.457368 C\n0.102085 0.465765 0.212346 C\n0.084099 0.604780 0.705656 C\n0.912439 0.452128 0.301008 C\n0.886180 0.250262 0.343734 C\n0.691980 0.287920 0.430082 C\n0.308842 0.256128 0.166715 C\n0.495416 0.256116 0.082287 C\n0.974558 0.520404 0.792150 C\n0.695135 0.452185 0.948385 C\n0.080568 0.288043 0.819019 C\n0.924162 0.250390 0.905296 C\n0.491749 0.465769 0.037061 C\n0.331927 0.396696 0.624669 S\n0.680171 0.691919 0.878299 S\n0.686631 0.691911 0.371533 S\n",
"nsites": 31,
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"elements": [
"H",
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"S"
],
"chemical_system": "C-H-S",
"density": 1.6537399768033776,
"density_atomic": 0.09574024711052978,
"volume": 323.79277195943786,
"volume_molar": 6.290082741323601,
"formula_full": "H10 C18 S3",
"formula_reduced": "H10(C6S)3",
"formula_anonymous": "A3B10C18",
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"spacegroup": 5
},
{
"id": "jvasp-101241",
"created_at": "2022-09-04T14:36:40.115687Z",
"updated_at": "2022-09-04T14:36:40.115738Z",
"structure_string": "Li1 O8\n1.0\n4.399322 0.030045 2.408475\n2.036202 4.288295 1.368379\n0.111432 -0.076007 4.938609\nLi O\n1 8\ndirect\n0.499999 0.752646 0.247354 Li\n0.841590 0.334170 0.786926 O\n0.158409 0.213073 0.665829 O\n0.160906 0.663471 0.199793 O\n0.839092 0.800207 0.336529 O\n0.834838 0.278624 0.253805 O\n0.165161 0.746195 0.721375 O\n0.157371 0.163357 0.118413 O\n0.842627 0.881586 0.836643 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.4406520607154674,
"density_atomic": 0.09803266458372711,
"volume": 91.80613460030291,
"volume_molar": 6.142994057717004,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy_above_hull": 2.585663111111111,
"spacegroup": 5
},
{
"id": "jvasp-34235",
"created_at": "2022-09-04T14:36:40.355977Z",
"updated_at": "2022-09-04T14:36:40.356005Z",
"structure_string": "Li4 C1 O4\n1.0\n4.467023 -0.262994 -1.485920\n-0.503616 3.999650 -2.221848\n-0.546271 -0.110145 4.693508\nLi C O\n4 1 4\ndirect\n0.100352 0.233236 0.745676 Li\n0.461125 0.753192 0.690517 Li\n0.899650 0.487556 0.254327 Li\n0.538875 0.062671 0.309486 Li\n-0.000002 0.773833 -0.000001 C\n0.104280 0.845754 0.796738 O\n0.260969 0.704905 0.232597 O\n0.739026 0.472309 0.767400 O\n0.895720 0.049015 0.203263 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.1953108164696657,
"density_atomic": 0.11465895694679225,
"volume": 78.49364968649131,
"volume_molar": 5.252220079757562,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 5
},
{
"id": "jvasp-102353",
"created_at": "2022-09-04T14:36:41.307752Z",
"updated_at": "2022-09-04T14:36:41.307779Z",
"structure_string": "V2 O2 F6\n1.0\n6.554921 0.012283 2.281295\n4.928593 4.321587 2.281295\n0.063855 0.024099 4.544499\nV O F\n2 2 6\ndirect\n0.968452 0.392364 0.801509 V\n0.607636 0.031547 0.198490 V\n0.838080 0.767950 0.472402 O\n0.232050 0.161919 0.527597 O\n0.632320 0.550759 0.724558 F\n0.632931 0.777074 0.078651 F\n0.853030 0.983115 0.861971 F\n0.449241 0.367679 0.275441 F\n0.222925 0.367069 0.921348 F\n0.016885 0.146969 0.138028 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.222112222482246,
"density_atomic": 0.07828232392333435,
"volume": 127.74275850310066,
"volume_molar": 7.69284872776359,
"formula_full": "V2 O2 F6",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
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"spacegroup": 5
},
{
"id": "jvasp-7655",
"created_at": "2022-09-04T14:36:41.322591Z",
"updated_at": "2022-09-04T14:36:41.322614Z",
"structure_string": "Nb2 O5\n1.0\n3.799774 0.068876 1.071932\n0.264311 3.791197 1.071932\n0.418271 0.397274 5.782303\nNb O\n2 5\ndirect\n0.852336 0.765018 0.291672 Nb\n0.234983 0.147662 0.708327 Nb\n0.274045 0.725955 0.499999 O\n0.634939 0.222100 0.346793 O\n0.246776 0.108983 0.043647 O\n0.891016 0.753224 0.956352 O\n0.777900 0.365061 0.653206 O\n",
"nsites": 7,
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"elements": [
"Nb",
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],
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"density": 5.51608198583211,
"density_atomic": 0.08747999141078439,
"volume": 80.01829775142218,
"volume_molar": 6.884020749066513,
"formula_full": "Nb2 O5",
"formula_reduced": "Nb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.4127751857142856,
"spacegroup": 5
},
{
"id": "jvasp-101904",
"created_at": "2022-09-04T14:36:42.342338Z",
"updated_at": "2022-09-04T14:36:42.342355Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n5.061003 0.003169 0.001490\n2.527215 3.736602 1.776484\n-0.001419 -0.126348 6.556576\nZn H C O\n1 4 4 4\ndirect\n0.811078 0.859996 0.285677 Zn\n0.050839 0.244188 0.769207 H\n0.935563 0.101611 0.595739 H\n0.435195 0.475709 0.802167 H\n0.177263 0.618130 0.975625 H\n0.337105 0.120829 0.533854 C\n0.144141 0.049470 0.695781 C\n0.333673 0.670415 0.875598 C\n0.597865 0.599190 0.037534 C\n0.247542 0.436408 0.403511 O\n0.594084 0.850198 0.533845 O\n0.823928 0.283649 0.167815 O\n0.584061 0.869892 0.037607 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "C-H-O-Zn",
"density": 2.4094243471646397,
"density_atomic": 0.10393839419184965,
"volume": 125.07408933030636,
"volume_molar": 5.793952087507069,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
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"spacegroup": 5
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{
"id": "jvasp-101237",
"created_at": "2022-09-04T14:36:42.871318Z",
"updated_at": "2022-09-04T14:36:42.871345Z",
"structure_string": "Al4 Ge2 W3\n1.0\n4.866229 -0.000494 0.012746\n-2.438838 4.210969 0.012746\n-0.006757 -0.011720 6.729312\nAl Ge W\n4 2 3\ndirect\n0.153479 0.846521 0.500000 Al\n0.349664 0.174217 0.169595 Al\n0.825783 0.650337 0.830406 Al\n0.819681 0.180320 0.500000 Al\n0.694099 0.844302 0.170192 Ge\n0.155698 0.305902 0.829809 Ge\n0.029700 0.514659 0.159680 W\n0.485341 0.970301 0.840321 W\n0.486941 0.513059 0.500000 W\n",
"nsites": 9,
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"elements": [
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"Ge",
"W"
],
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"density": 9.691096496739828,
"density_atomic": 0.0652706914406343,
"volume": 137.88730901044272,
"volume_molar": 9.226408709761138,
"formula_full": "Al4 Ge2 W3",
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"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.220058122222223,
"spacegroup": 5
},
{
"id": "jvasp-100403",
"created_at": "2022-09-04T14:36:43.400447Z",
"updated_at": "2022-09-04T14:36:43.400467Z",
"structure_string": "Fe1 Ni1 P2 S6\n1.0\n5.743564 -0.022403 0.816014\n-3.020992 4.884941 0.816014\n0.083121 0.148455 6.442176\nFe Ni P S\n1 1 2 6\ndirect\n0.666786 0.333214 -0.000001 Fe\n0.332823 0.667177 -0.000001 Ni\n0.061526 0.061529 0.822821 P\n0.938472 0.938475 0.177178 P\n0.734052 0.721322 0.763106 S\n0.278679 0.265949 0.236893 S\n0.067897 0.428313 0.762962 S\n0.441260 0.093183 0.764327 S\n0.906818 0.558741 0.235673 S\n0.571688 0.932104 0.237037 S\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.423552364558218,
"density_atomic": 0.05589173189228057,
"volume": 178.9173400329207,
"volume_molar": 10.774654060830313,
"formula_full": "Fe1 Ni1 P2 S6",
"formula_reduced": "FeNi(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.58217889,
"spacegroup": 5
},
{
"id": "jvasp-101948",
"created_at": "2022-09-04T14:36:44.291045Z",
"updated_at": "2022-09-04T14:36:44.291061Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n4.068724 0.056177 0.508557\n0.898827 3.967315 0.537615\n0.031518 -0.025620 7.450774\nCd H C O\n1 4 4 4\ndirect\n0.301597 0.209757 0.716522 Cd\n0.527441 0.134148 0.338732 H\n0.958180 -0.007818 0.258456 H\n0.376639 0.982588 0.094039 H\n0.519517 0.552294 0.174610 H\n0.765245 0.652817 0.461849 C\n0.720843 0.913872 0.298110 C\n0.597308 0.789757 0.134844 C\n0.858580 0.745709 0.971205 C\n0.528384 0.684606 0.595574 O\n0.025665 0.411000 0.461223 O\n0.826893 0.982866 0.837610 O\n0.100383 0.485327 0.971773 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.1650017671684343,
"density_atomic": 0.10844611918165417,
"volume": 119.87519791486655,
"volume_molar": 5.553117811355268,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9304418269230776,
"spacegroup": 5
}
]
}