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_anonymous&page=4514",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4512",
"results": [
{
"id": "jvasp-112020",
"created_at": "2022-09-04T14:38:41.826504Z",
"updated_at": "2022-09-04T14:38:41.826529Z",
"structure_string": "H1 C1 N1 O1\n1.0\n3.295876 0.000000 -0.877171\n0.000000 2.410179 0.000000\n-0.155816 0.000000 4.076745\nH C N O\n1 1 1 1\ndirect\n0.195733 0.000000 0.166954 H\n0.579067 0.500000 0.564964 C\n0.421213 0.000000 0.400488 N\n0.848047 0.500000 0.841633 O\n",
"nsites": 4,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 2.228814707602726,
"density_atomic": 0.1247862127862276,
"volume": 32.05482329087458,
"volume_molar": 4.825966447364329,
"formula_full": "H1 C1 N1 O1",
"formula_reduced": "HCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.8955966875,
"spacegroup": 6
},
{
"id": "jvasp-110170",
"created_at": "2022-09-04T14:38:18.429067Z",
"updated_at": "2022-09-04T14:38:18.429075Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.270351 -0.000274 6.438548\n1.940903 3.803787 6.438548\n-0.000447 -0.000274 7.725982\nSn Te Pb Se\n1 1 1 1\ndirect\n0.495157 0.495159 0.495158 Sn\n0.247010 0.247011 0.247011 Te\n0.006194 0.006194 0.006194 Pb\n0.751635 0.751639 0.751637 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sn",
"Te",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn-Te",
"density": 7.044407394378465,
"density_atomic": 0.03186839665287602,
"volume": 125.51619849500692,
"volume_molar": 18.896905374925797,
"formula_full": "Sn1 Te1 Pb1 Se1",
"formula_reduced": "SnTePbSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6270259133333334,
"spacegroup": 160
},
{
"id": "jvasp-10013",
"created_at": "2022-09-04T14:38:32.995103Z",
"updated_at": "2022-09-04T14:38:32.995137Z",
"structure_string": "K4 Ge4 N4 O4\n1.0\n5.280893 0.000000 0.000000\n0.000000 5.777669 0.000000\n0.000000 0.000000 8.130564\nK Ge N O\n4 4 4 4\ndirect\n0.023709 0.045645 0.636495 K\n0.523709 0.454355 0.636495 K\n0.523709 0.954355 0.363504 K\n0.023709 0.545645 0.363504 K\n0.992964 0.089293 0.096293 Ge\n0.492964 0.910707 0.903707 Ge\n0.492964 0.410707 0.096293 Ge\n0.992964 0.589293 0.903707 Ge\n0.647067 0.625869 0.955728 N\n0.147068 0.374131 0.044272 N\n0.147068 0.874131 0.955728 N\n0.647067 0.125869 0.044272 N\n0.528257 0.974605 0.692898 O\n0.528257 0.474605 0.307102 O\n0.028257 0.525395 0.692898 O\n0.028257 0.025395 0.307102 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-K-N-O",
"density": 3.795196792160138,
"density_atomic": 0.06449696581222845,
"volume": 248.07368530453323,
"volume_molar": 9.337091573474018,
"formula_full": "K4 Ge4 N4 O4",
"formula_reduced": "KGeNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.5692601749999997,
"spacegroup": 29
},
{
"id": "jvasp-111108",
"created_at": "2022-09-04T14:38:37.211815Z",
"updated_at": "2022-09-04T14:38:37.211837Z",
"structure_string": "Al2 V2 Cr2 C2\n1.0\n2.881018 -0.000000 0.000000\n-1.440509 2.495035 0.000000\n-0.000000 0.000000 12.840741\nAl V Cr C\n2 2 2 2\ndirect\n0.333334 0.666668 0.742606 Al\n0.666667 0.333334 0.257394 Al\n0.666667 0.333334 0.911475 V\n0.333334 0.666668 0.088525 V\n0.333334 0.666668 0.417484 Cr\n0.666667 0.333334 0.582515 Cr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"V",
"Cr",
"C"
],
"chemical_system": "Al-C-Cr-V",
"density": 5.106697136511358,
"density_atomic": 0.08667169437727525,
"volume": 92.30233766028172,
"volume_molar": 6.94822087334082,
"formula_full": "Al2 V2 Cr2 C2",
"formula_reduced": "AlVCrC",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.1167336,
"spacegroup": 164
},
{
"id": "jvasp-110587",
"created_at": "2022-09-04T14:38:38.147157Z",
"updated_at": "2022-09-04T14:38:38.147166Z",
"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.330151 -0.011364 2.519372\n-1.207346 5.191624 2.519372\n-0.009021 -0.011335 6.773984\nGa Ag Se S\n2 2 2 2\ndirect\n0.249145 0.492921 0.501402 Ga\n0.492921 0.249146 0.001402 Ga\n0.735316 0.032876 0.498131 Ag\n0.032875 0.735315 -0.001868 Ag\n0.870663 0.605528 0.742395 Se\n0.605528 0.870663 0.242396 Se\n0.362605 0.160944 0.758070 S\n0.160944 0.362605 0.258071 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Ag",
"Se",
"S"
],
"chemical_system": "Ag-Ga-S-Se",
"density": 5.1076601382007025,
"density_atomic": 0.04262969066478645,
"volume": 187.6626331377128,
"volume_molar": 14.126634901844335,
"formula_full": "Ga2 Ag2 Se2 S2",
"formula_reduced": "GaAgSeS",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5226282379166667,
"spacegroup": 9
},
{
"id": "jvasp-21113",
"created_at": "2022-09-04T14:38:34.295129Z",
"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"N",
"O"
],
"chemical_system": "Li-N-O-Si",
"density": 2.7169380844610265,
"density_atomic": 0.10063742545420822,
"volume": 158.98657907619346,
"volume_molar": 5.983997238423174,
"formula_full": "Li4 Si4 N4 O4",
"formula_reduced": "LiSiNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3421788375,
"spacegroup": 29
},
{
"id": "jvasp-3186",
"created_at": "2022-09-04T14:35:49.498881Z",
"updated_at": "2022-09-04T14:35:49.498895Z",
"structure_string": "Y2 Zn2 P2 O2\n1.0\n3.830503 0.002264 9.670580\n1.847345 3.355603 9.670580\n0.003828 0.002264 10.401579\nY Zn P O\n2 2 2 2\ndirect\n0.620416 0.620414 0.620418 Y\n0.379584 0.379582 0.379585 Y\n0.803513 0.803510 0.803516 Zn\n0.196487 0.196486 0.196488 Zn\n0.111402 0.111402 0.111403 P\n0.888598 0.888595 0.888601 P\n0.694609 0.694606 0.694611 O\n0.305391 0.305390 0.305392 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Y",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Y-Zn",
"density": 5.007921168674112,
"density_atomic": 0.05993085411000294,
"volume": 133.4871681507495,
"volume_molar": 10.048481453220031,
"formula_full": "Y2 Zn2 P2 O2",
"formula_reduced": "YZnPO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.1712262125,
"spacegroup": 166
},
{
"id": "jvasp-85663",
"created_at": "2022-09-04T14:35:50.701878Z",
"updated_at": "2022-09-04T14:35:50.701893Z",
"structure_string": "H2 Pb2 Cl2 O2\n1.0\n4.856904 2.008592 -2.487160\n-4.856904 2.008592 2.487160\n0.016399 0.000000 7.266492\nH Pb Cl O\n2 2 2 2\ndirect\n0.883825 0.116174 0.388459 H\n0.116174 0.883825 0.611541 H\n0.827958 0.172041 0.761773 Pb\n0.172041 0.827958 0.238226 Pb\n0.568259 0.431740 0.814621 Cl\n0.431740 0.568259 0.185379 Cl\n0.801975 0.198024 0.411692 O\n0.198024 0.801975 0.588308 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"H",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Pb",
"density": 6.075430489995903,
"density_atomic": 0.05636147222328188,
"volume": 141.9409338405349,
"volume_molar": 10.68485353991936,
"formula_full": "H2 Pb2 Cl2 O2",
"formula_reduced": "HPbClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.0291070968749998,
"spacegroup": 12
},
{
"id": "jvasp-37034",
"created_at": "2022-09-04T14:35:53.656759Z",
"updated_at": "2022-09-04T14:35:53.656770Z",
"structure_string": "Ti1 Fe1 Co1 Sb1\n1.0\n3.037963 3.037963 0.000000\n3.037963 -0.000000 -3.037963\n0.000000 3.037963 -3.037963\nTi Fe Co Sb\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"Sb"
],
"chemical_system": "Co-Fe-Sb-Ti",
"density": 8.421882660912601,
"density_atomic": 0.07133169682887969,
"volume": 56.076052832386026,
"volume_molar": 8.442447085545634,
"formula_full": "Ti1 Fe1 Co1 Sb1",
"formula_reduced": "TiFeCoSb",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.967005208333333,
"spacegroup": 216
},
{
"id": "jvasp-62999",
"created_at": "2022-09-04T14:35:59.829289Z",
"updated_at": "2022-09-04T14:35:59.829316Z",
"structure_string": "Sr2 Fe2 As2 F2\n1.0\n3.986668 -0.000000 -0.000000\n0.000000 3.986668 -0.000000\n-0.000000 0.000000 8.754954\nSr Fe As F\n2 2 2 2\ndirect\n0.500000 0.000000 0.166402 Sr\n0.000000 0.500000 0.833598 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.640481 As\n0.000000 0.500000 0.359518 As\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"As",
"F"
],
"chemical_system": "As-F-Fe-Sr",
"density": 5.665762467514856,
"density_atomic": 0.057493133338577376,
"volume": 139.14705175117098,
"volume_molar": 10.474539149806953,
"formula_full": "Sr2 Fe2 As2 F2",
"formula_reduced": "SrFeAsF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.773508460625,
"spacegroup": 129
},
{
"id": "jvasp-91533",
"created_at": "2022-09-04T14:35:56.584470Z",
"updated_at": "2022-09-04T14:35:56.584492Z",
"structure_string": "Ca2 Ni2 B2 N2\n1.0\n3.532599 0.000000 0.000000\n0.000000 3.532599 -0.000000\n0.000000 -0.000000 7.603102\nCa Ni B N\n2 2 2 2\ndirect\n0.000000 0.500000 0.341660 Ca\n0.500000 0.000000 0.658340 Ca\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.844800 B\n0.500000 0.000000 0.155200 B\n0.000000 0.500000 0.662636 N\n0.500000 0.000000 0.337364 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"B",
"N"
],
"chemical_system": "B-Ca-N-Ni",
"density": 4.3259327389800415,
"density_atomic": 0.08431609545318462,
"volume": 94.88105393165286,
"volume_molar": 7.142338277919562,
"formula_full": "Ca2 Ni2 B2 N2",
"formula_reduced": "CaNiBN",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.2992971633333337,
"spacegroup": 129
},
{
"id": "jvasp-85372",
"created_at": "2022-09-04T14:36:04.621478Z",
"updated_at": "2022-09-04T14:36:04.621498Z",
"structure_string": "Ce2 Si2 H2 Ru2\n1.0\n4.178062 -0.000097 0.000377\n-0.000096 4.178208 0.000015\n0.000615 -0.000009 7.148900\nCe Si H Ru\n2 2 2 2\ndirect\n0.249987 0.249997 0.669148 Ce\n0.750010 0.750002 0.330851 Ce\n0.249979 0.249989 0.166848 Si\n0.750019 0.750009 0.833150 Si\n0.749994 0.249987 0.499993 H\n0.250004 0.750014 0.500007 H\n0.750017 0.250002 -0.000011 Ru\n0.249982 0.749996 0.000009 Ru\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ce",
"Si",
"H",
"Ru"
],
"chemical_system": "Ce-H-Ru-Si",
"density": 7.192633780837804,
"density_atomic": 0.06410410363186339,
"volume": 124.7970027931807,
"volume_molar": 9.394313965583091,
"formula_full": "Ce2 Si2 H2 Ru2",
"formula_reduced": "CeSiHRu",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.91171865,
"spacegroup": 129
}
]
}