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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3627",
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"results": [
{
"id": "jvasp-116888",
"created_at": "2022-09-04T14:38:51.544533Z",
"updated_at": "2022-09-04T14:38:51.544563Z",
"structure_string": "Li5 Mn5 Sn2 O12\n1.0\n5.321577 -0.040792 0.493416\n-2.729315 4.568554 0.493416\n0.074343 0.129851 10.131786\nLi Mn Sn O\n5 5 2 12\ndirect\n0.807861 0.675477 0.250323 Li\n0.667766 0.824434 0.744942 Li\n0.324522 0.192138 0.749678 Li\n0.175565 0.332232 0.255060 Li\n0.079185 0.920812 0.500001 Li\n0.915468 0.084533 0.000000 Mn\n0.005465 0.513834 0.740030 Mn\n0.486164 0.994533 0.259971 Mn\n0.580368 0.419631 0.000000 Mn\n0.422821 0.577178 0.500001 Mn\n0.247768 0.752230 0.000000 Sn\n0.753688 0.246312 0.500001 Sn\n0.202570 0.023689 0.126930 O\n0.060188 0.230022 0.616134 O\n0.769977 0.939811 0.383868 O\n0.877228 0.382273 0.123886 O\n0.617727 0.122772 0.876115 O\n0.691434 0.526689 0.615004 O\n0.473310 0.308565 0.384997 O\n0.524950 0.708705 0.122832 O\n0.291294 0.475048 0.877169 O\n0.395631 0.847274 0.610863 O\n0.152724 0.604367 0.389139 O\n0.976310 0.797429 0.873072 O\n",
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],
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"volume": 244.5101687353895,
"volume_molar": 6.135311055732779,
"formula_full": "Li5 Mn5 Sn2 O12",
"formula_reduced": "Li5Mn5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
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"spacegroup": 5
},
{
"id": "jvasp-22636",
"created_at": "2022-09-04T14:37:11.850956Z",
"updated_at": "2022-09-04T14:37:11.850964Z",
"structure_string": "Rb2 Sb4\n1.0\n4.220502 -0.000000 -0.000000\n-2.110250 6.741338 -1.744395\n-0.000000 0.016095 8.589706\nRb Sb\n2 4\ndirect\n0.835544 0.671089 0.301438 Rb\n0.164456 0.328912 0.698562 Rb\n0.565998 0.131997 0.318119 Sb\n0.902289 0.804578 0.891572 Sb\n0.097711 0.195423 0.108428 Sb\n0.434002 0.868004 0.681881 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 4.468480378393291,
"density_atomic": 0.024538737756793955,
"volume": 244.5113542296527,
"volume_molar": 24.54136320981983,
"formula_full": "Rb2 Sb4",
"formula_reduced": "RbSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7446011666666668,
"spacegroup": 12
},
{
"id": "jvasp-11633",
"created_at": "2022-09-04T14:37:28.135567Z",
"updated_at": "2022-09-04T14:37:28.135588Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n3.536858 0.000099 0.000077\n1.768378 6.895880 -0.031728\n1.768197 1.825341 10.017156\nCa Bi O\n2 4 8\ndirect\n0.243327 0.266388 0.238997 Ca\n0.743160 0.766676 0.739119 Ca\n0.607612 0.690020 0.086770 Bi\n0.107679 0.190224 0.586594 Bi\n0.878860 0.842839 0.391517 Bi\n0.378847 0.343045 0.891341 Bi\n0.905197 0.426717 0.754972 O\n0.405297 0.926366 0.255122 O\n0.581227 0.106697 0.722992 O\n0.081270 0.606349 0.223144 O\n0.216568 0.662838 0.896108 O\n0.716682 0.162658 0.396051 O\n0.769899 0.370227 0.082010 O\n0.269833 0.870399 0.582066 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 7.090363692923731,
"density_atomic": 0.057255428451340226,
"volume": 244.51829946392255,
"volume_molar": 10.518025841196959,
"formula_full": "Ca2 Bi4 O8",
"formula_reduced": "Ca(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5222918599999995,
"spacegroup": 12
},
{
"id": "jvasp-117384",
"created_at": "2022-09-04T14:38:26.410192Z",
"updated_at": "2022-09-04T14:38:26.410212Z",
"structure_string": "Ho2 Cu6 S6\n1.0\n5.966760 0.004718 4.396479\n2.224197 5.536713 4.396479\n0.006974 0.004718 7.411559\nHo Cu S\n2 6 6\ndirect\n0.833532 0.833532 0.833532 Ho\n0.166468 0.166468 0.166468 Ho\n0.280580 0.965313 0.622793 Cu\n0.622792 0.280580 0.965314 Cu\n0.965314 0.622793 0.280580 Cu\n0.034686 0.377207 0.719421 Cu\n0.377208 0.719420 0.034687 Cu\n0.719420 0.034687 0.377207 Cu\n0.087422 0.747141 0.418557 S\n0.747142 0.418557 0.087422 S\n0.418556 0.087422 0.747142 S\n0.581444 0.912578 0.252859 S\n0.252858 0.581443 0.912579 S\n0.912578 0.252859 0.581444 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"S"
],
"chemical_system": "Cu-Ho-S",
"density": 6.135737735286349,
"density_atomic": 0.05725385900027268,
"volume": 244.52500223492922,
"volume_molar": 10.518314162843273,
"formula_full": "Ho2 Cu6 S6",
"formula_reduced": "Ho(CuS)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.8142767023809525,
"spacegroup": 148
},
{
"id": "jvasp-10162",
"created_at": "2022-09-04T14:37:09.401590Z",
"updated_at": "2022-09-04T14:37:09.401612Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n3.536965 -0.000039 -0.000090\n-1.768449 6.895667 0.036737\n-1.768344 -1.832183 10.016126\nCa Bi O\n2 4 8\ndirect\n0.490266 0.733521 0.239022 Ca\n0.490177 0.233416 0.739087 Ca\n0.702306 0.309912 0.086728 Bi\n0.702153 0.809830 0.586642 Bi\n0.278282 0.157103 0.391473 Bi\n0.278133 0.657022 0.891391 Bi\n0.668136 0.573392 0.755028 O\n0.668281 0.073526 0.255090 O\n0.312161 0.893416 0.723020 O\n0.312309 0.393547 0.223088 O\n0.120605 0.337217 0.896090 O\n0.120663 0.837284 0.396072 O\n0.859853 0.629725 0.082032 O\n0.859790 0.129655 0.582043 O\n",
"nsites": 14,
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"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 7.090122165899108,
"density_atomic": 0.05725347809535338,
"volume": 244.52662904921792,
"volume_molar": 10.518384140733538,
"formula_full": "Ca2 Bi4 O8",
"formula_reduced": "Ca(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.522294717142857,
"spacegroup": 12
},
{
"id": "jvasp-64113",
"created_at": "2022-09-04T14:36:03.998523Z",
"updated_at": "2022-09-04T14:36:03.998543Z",
"structure_string": "Ba4 Tl1 V1\n1.0\n-0.000000 4.963438 4.963438\n4.963438 0.000000 4.963438\n4.963438 4.963438 0.000000\nBa Tl V\n4 1 1\ndirect\n0.124923 0.625026 0.625026 Ba\n0.625026 0.625026 0.625026 Ba\n0.625026 0.124923 0.625026 Ba\n0.625026 0.625026 0.124923 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"V"
],
"chemical_system": "Ba-Tl-V",
"density": 5.46347587820869,
"density_atomic": 0.024534287532504896,
"volume": 244.55570564463068,
"volume_molar": 24.54581471755154,
"formula_full": "Ba4 Tl1 V1",
"formula_reduced": "Ba4TlV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6672101133333334,
"spacegroup": 216
},
{
"id": "jvasp-105241",
"created_at": "2022-09-04T14:36:55.269646Z",
"updated_at": "2022-09-04T14:36:55.269681Z",
"structure_string": "Pm2 Tm6\n1.0\n7.116861 -0.000000 0.000000\n-3.558430 6.163383 0.000000\n-0.000000 -0.000000 5.575615\nPm Tm\n2 6\ndirect\n0.666666 0.333333 0.250000 Pm\n0.333333 0.666666 0.750001 Pm\n0.834856 0.165144 0.750001 Tm\n0.330289 0.165144 0.750001 Tm\n0.834856 0.669710 0.750001 Tm\n0.165144 0.834855 0.250000 Tm\n0.669710 0.834855 0.250000 Tm\n0.165144 0.330289 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Tm"
],
"chemical_system": "Pm-Tm",
"density": 8.85104979426717,
"density_atomic": 0.03271067976713507,
"volume": 244.56844238491567,
"volume_molar": 18.410319818698905,
"formula_full": "Pm2 Tm6",
"formula_reduced": "PmTm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4077384812500002,
"spacegroup": 194
},
{
"id": "jvasp-64420",
"created_at": "2022-09-04T14:36:20.376734Z",
"updated_at": "2022-09-04T14:36:20.376755Z",
"structure_string": "Ba4 Na1 Tc1\n1.0\n0.000000 4.963606 4.963606\n4.963606 -0.000000 4.963606\n4.963606 4.963606 0.000000\nBa Na Tc\n4 1 1\ndirect\n0.120180 0.626607 0.626607 Ba\n0.626607 0.626607 0.626607 Ba\n0.626607 0.120180 0.626607 Ba\n0.626607 0.626607 0.120180 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Tc"
],
"chemical_system": "Ba-Na-Tc",
"density": 4.550875696757969,
"density_atomic": 0.024531796427771486,
"volume": 244.58053928768277,
"volume_molar": 24.548307245785598,
"formula_full": "Ba4 Na1 Tc1",
"formula_reduced": "Ba4NaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8793757299999998,
"spacegroup": 216
},
{
"id": "jvasp-43817",
"created_at": "2022-09-04T14:35:48.197383Z",
"updated_at": "2022-09-04T14:35:48.197400Z",
"structure_string": "Ti1 V4 Cu1 O12\n1.0\n6.708773 -0.030057 -0.048453\n-0.744306 6.667425 0.048453\n-1.441591 1.295442 5.489391\nTi V Cu O\n1 4 1 12\ndirect\n0.916721 0.916721 0.250000 Ti\n0.198545 0.615300 0.751576 V\n0.391207 0.788985 0.266679 V\n0.615301 0.198545 0.748423 V\n0.788985 0.391207 0.233321 V\n0.095179 0.095179 0.750000 Cu\n0.816745 0.030569 0.887070 O\n0.628845 0.334644 0.443070 O\n0.636888 0.906350 0.278245 O\n0.640753 0.377410 0.939655 O\n0.334644 0.628845 0.056930 O\n0.201037 0.963061 0.173225 O\n0.377410 0.640753 0.560345 O\n0.906350 0.636888 0.221755 O\n0.072122 0.385628 0.761455 O\n0.030569 0.816745 0.612930 O\n0.385629 0.072122 0.738545 O\n0.963061 0.201037 0.326775 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti-V",
"density": 3.4433527291996926,
"density_atomic": 0.07359525646285174,
"volume": 244.58098069249553,
"volume_molar": 8.182783849716946,
"formula_full": "Ti1 V4 Cu1 O12",
"formula_reduced": "TiV4CuO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.3420765324074075,
"spacegroup": 5
},
{
"id": "jvasp-26172",
"created_at": "2022-09-04T14:37:46.499694Z",
"updated_at": "2022-09-04T14:37:46.499727Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.185401 0.000000 -1.632031\n-0.543850 5.309943 -1.727956\n-0.042186 -0.065705 8.919684\nSr Mn Ga O\n4 2 2 10\ndirect\n0.387535 0.874432 0.779290 Sr\n0.608244 0.125569 0.220709 Sr\n0.108244 0.595139 0.220708 Sr\n0.887535 0.404861 0.779291 Sr\n0.494287 0.500000 -0.000000 Mn\n0.994287 0.000000 0.000000 Mn\n0.784080 0.819035 0.500000 Ga\n0.284079 0.180965 0.499999 Ga\n0.751907 0.753926 0.012529 O\n0.630700 0.123857 0.499999 O\n0.251908 0.758603 0.012530 O\n0.118464 0.189994 0.286062 O\n0.832401 0.810006 0.713937 O\n0.618464 0.596066 0.286061 O\n0.332402 0.403934 0.713938 O\n0.130701 0.876144 0.500000 O\n0.239377 0.241398 0.987469 O\n0.739377 0.246074 0.987470 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 5.1584453831368435,
"density_atomic": 0.07359447135265411,
"volume": 244.58358989694474,
"volume_molar": 8.182871144141751,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6549410762643677,
"spacegroup": 46
},
{
"id": "jvasp-44759",
"created_at": "2022-09-04T14:38:09.395678Z",
"updated_at": "2022-09-04T14:38:09.395779Z",
"structure_string": "Li8 Co4 O12\n1.0\n3.097733 0.000000 0.000000\n0.000000 8.090218 -0.000000\n0.000000 -0.000000 9.760765\nLi Co O\n8 4 12\ndirect\n0.500000 0.593250 0.893106 Li\n0.000000 0.858495 0.790560 Li\n0.500000 0.358495 0.709440 Li\n0.000000 0.093250 0.606893 Li\n0.000000 0.906750 0.393107 Li\n0.500000 0.641505 0.290560 Li\n0.000000 0.141505 0.209440 Li\n0.500000 0.406750 0.106893 Li\n0.000000 0.366756 0.402435 Co\n0.500000 0.866756 0.097565 Co\n0.500000 0.133244 0.902435 Co\n0.000000 0.633244 0.597564 Co\n0.500000 0.654112 0.084346 O\n0.500000 0.900224 0.910383 O\n0.500000 0.345889 0.915653 O\n0.000000 0.619338 0.774719 O\n0.500000 0.119338 0.725280 O\n0.000000 0.845889 0.584346 O\n0.000000 0.400224 0.589616 O\n0.000000 0.599776 0.410384 O\n0.000000 0.154112 0.415653 O\n0.500000 0.880662 0.274719 O\n0.000000 0.380662 0.225280 O\n0.500000 0.099776 0.089616 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.2804703289904276,
"density_atomic": 0.09811223707608378,
"volume": 244.61780421323542,
"volume_molar": 6.138011872392603,
"formula_full": "Li8 Co4 O12",
"formula_reduced": "Li2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.944175233333333,
"spacegroup": 58
},
{
"id": "jvasp-64165",
"created_at": "2022-09-04T14:36:13.542724Z",
"updated_at": "2022-09-04T14:36:13.542749Z",
"structure_string": "Ba4 Cd1 Si1\n1.0\n-0.000000 4.964181 4.964181\n4.964181 0.000000 4.964181\n4.964181 4.964181 -0.000000\nBa Cd Si\n4 1 1\ndirect\n0.121672 0.626109 0.626109 Ba\n0.626109 0.626109 0.626109 Ba\n0.626109 0.121672 0.626109 Ba\n0.626109 0.626109 0.121672 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"Cd",
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],
"chemical_system": "Ba-Cd-Si",
"density": 4.681686201466239,
"density_atomic": 0.024523272877276885,
"volume": 244.66554811122145,
"volume_molar": 24.55683949747213,
"formula_full": "Ba4 Cd1 Si1",
"formula_reduced": "Ba4CdSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1221753716666665,
"spacegroup": 216
}
]
}