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=-volume_molar&page=4096",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4094",
"results": [
{
"id": "jvasp-43531",
"created_at": "2022-09-04T14:36:12.543140Z",
"updated_at": "2022-09-04T14:36:12.543172Z",
"structure_string": "Li2 V2 F8\n1.0\n0.000000 4.563715 -0.072222\n5.557818 0.000000 0.000000\n0.000000 -0.237007 -5.118682\nLi V F\n2 2 8\ndirect\n0.499999 0.365942 0.750000 Li\n0.499999 0.634058 0.250000 Li\n-0.000000 0.844688 0.750000 V\n-0.000000 0.155312 0.250000 V\n0.224291 0.115893 0.918386 F\n0.224291 0.884107 0.418386 F\n0.262230 0.626235 0.912303 F\n0.262231 0.373765 0.412304 F\n0.737768 0.626235 0.587696 F\n0.737768 0.373765 0.087696 F\n0.775707 0.115893 0.581613 F\n0.775707 0.884107 0.081613 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4220243029414665,
"density_atomic": 0.09235962239669711,
"volume": 129.92690624544102,
"volume_molar": 6.520317649344742,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3176842216666666,
"spacegroup": 13
},
{
"id": "jvasp-111970",
"created_at": "2022-09-04T14:38:51.099873Z",
"updated_at": "2022-09-04T14:38:51.099899Z",
"structure_string": "Li4 V2 Co2 O10\n1.0\n6.541460 0.000000 0.000000\n0.000000 6.541460 0.000000\n0.000000 -0.000000 4.554377\nLi V Co O\n4 2 2 10\ndirect\n0.750000 0.250000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.250000 0.750000 0.000000 Li\n0.750000 0.750000 0.000000 Li\n0.000000 0.500000 0.620835 V\n0.500000 0.000000 0.379166 V\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.224974 0.000000 0.256684 O\n0.775026 0.000000 0.256684 O\n0.000000 0.775026 0.743317 O\n0.500000 0.724974 0.256684 O\n0.500000 0.275026 0.256684 O\n0.275026 0.500000 0.743317 O\n0.000000 0.500000 0.254883 O\n0.500000 0.000000 0.745117 O\n0.724974 0.500000 0.743317 O\n0.000000 0.224974 0.743317 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 3.472211959521085,
"density_atomic": 0.09236217413586413,
"volume": 194.8849750280036,
"volume_molar": 6.520137509042904,
"formula_full": "Li4 V2 Co2 O10",
"formula_reduced": "Li2VCoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.548844733333333,
"spacegroup": 129
},
{
"id": "jvasp-105334",
"created_at": "2022-09-04T14:36:57.835934Z",
"updated_at": "2022-09-04T14:36:57.835953Z",
"structure_string": "Zr1 Ti1 Ni2 H2\n1.0\n5.141027 0.029506 0.000000\n-4.071496 3.139100 0.000000\n-0.000000 0.000000 3.995579\nZr Ti Ni H\n1 1 2 2\ndirect\n0.166673 0.833327 -0.000000 Zr\n0.882867 0.117135 0.500000 Ti\n0.588258 0.411743 0.500000 Ni\n0.434377 0.565624 -0.000000 Ni\n0.100052 0.899947 0.500000 H\n0.827774 0.172228 -0.000000 H\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Ni",
"H"
],
"chemical_system": "H-Ni-Ti-Zr",
"density": 6.607593735613621,
"density_atomic": 0.09236247379319448,
"volume": 64.96144758351087,
"volume_molar": 6.520116355354406,
"formula_full": "Zr1 Ti1 Ni2 H2",
"formula_reduced": "ZrTi(NiH)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.777859605555556,
"spacegroup": 38
},
{
"id": "jvasp-15688",
"created_at": "2022-09-04T14:36:44.881477Z",
"updated_at": "2022-09-04T14:36:44.881497Z",
"structure_string": "Ho1 Ni2 B2 C1\n1.0\n3.368876 -0.000000 -1.067635\n-0.338346 3.351842 -1.067635\n-0.024952 -0.027597 5.770252\nHo Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.749999 0.499999 Ni\n0.750001 0.249999 0.499999 Ni\n0.357328 0.357327 0.714654 B\n0.642673 0.642672 0.285344 B\n0.500000 0.500000 -0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Ho-Ni",
"density": 8.076609430347398,
"density_atomic": 0.09236620967830374,
"volume": 64.95882012369036,
"volume_molar": 6.519852639806399,
"formula_full": "Ho1 Ni2 B2 C1",
"formula_reduced": "HoNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.318959255555556,
"spacegroup": 139
},
{
"id": "jvasp-119346",
"created_at": "2022-09-04T14:38:48.077116Z",
"updated_at": "2022-09-04T14:38:48.077139Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.182909 -0.000000 2.992354\n1.727636 4.886494 2.992354\n-0.000000 -0.000000 5.984708\nLi Mn F\n4 2 8\ndirect\n0.625001 0.625000 0.124999 Li\n0.625001 0.625000 0.624999 Li\n0.625000 0.125000 0.625000 Li\n0.125001 0.625000 0.625000 Li\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.864355 0.864353 0.406936 F\n0.864354 0.406937 0.864353 F\n0.864355 0.864353 0.864353 F\n0.406938 0.864353 0.864353 F\n0.843063 0.385646 0.385645 F\n0.385646 0.385646 0.385646 F\n0.385647 0.843062 0.385645 F\n0.385646 0.385646 0.843063 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.17303379292987,
"density_atomic": 0.09236642112291628,
"volume": 151.57023331422087,
"volume_molar": 6.519837714601996,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4163854816256155,
"spacegroup": 227
},
{
"id": "jvasp-55817",
"created_at": "2022-09-04T14:38:13.392794Z",
"updated_at": "2022-09-04T14:38:13.392825Z",
"structure_string": "V4 Cd4 O12\n1.0\n5.307203 -0.000000 0.000000\n-0.000000 5.379474 0.000000\n0.000000 0.000000 7.583733\nV Cd O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.007989 0.964704 0.750000 Cd\n0.507989 0.535295 0.250000 Cd\n0.492010 0.464704 0.750000 Cd\n0.992010 0.035296 0.250000 Cd\n0.586952 0.021598 0.750000 O\n0.086952 0.478401 0.250000 O\n0.704893 0.291148 0.044510 O\n0.204893 0.208852 0.955489 O\n0.795106 0.791148 0.455490 O\n0.204893 0.208852 0.544510 O\n0.295107 0.708851 0.955489 O\n0.795106 0.791148 0.044510 O\n0.913047 0.521598 0.750000 O\n0.704893 0.291148 0.455490 O\n0.295107 0.708851 0.544510 O\n0.413047 0.978401 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 6.483719714856398,
"density_atomic": 0.09237223435916161,
"volume": 216.51527798100048,
"volume_molar": 6.519427403460568,
"formula_full": "V4 Cd4 O12",
"formula_reduced": "VCdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6649888899999998,
"spacegroup": 62
},
{
"id": "jvasp-106891",
"created_at": "2022-09-04T14:36:48.875460Z",
"updated_at": "2022-09-04T14:36:48.875485Z",
"structure_string": "Sc2 Fe2 O6\n1.0\n3.289510 0.000000 0.000000\n-1.644755 2.848799 0.000000\n-0.000000 -0.000000 11.552156\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333332 0.666667 0.750000 Fe\n0.666666 0.333333 0.250000 Fe\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.333332 0.666667 0.584830 O\n0.333332 0.666667 0.915171 O\n0.666666 0.333333 0.415170 O\n0.666666 0.333333 0.084830 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sc",
"density": 4.564816965586263,
"density_atomic": 0.09237276335323999,
"volume": 108.25701902799304,
"volume_molar": 6.519390068445725,
"formula_full": "Sc2 Fe2 O6",
"formula_reduced": "ScFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.31395625,
"spacegroup": 194
},
{
"id": "jvasp-43597",
"created_at": "2022-09-04T14:36:09.560808Z",
"updated_at": "2022-09-04T14:36:09.560825Z",
"structure_string": "Li4 Mn4 F16\n1.0\n6.285638 -0.000000 0.000000\n0.000000 6.305176 0.000000\n0.000000 0.000000 6.555029\nLi Mn F\n4 4 16\ndirect\n0.249979 0.250000 0.250034 Li\n0.250021 0.750000 0.750034 Li\n0.749979 0.250000 0.249966 Li\n0.750021 0.750000 0.749966 Li\n-0.000007 0.250000 0.749916 Mn\n0.500007 0.750000 0.249916 Mn\n0.499993 0.250000 0.750084 Mn\n0.000007 0.750000 0.250084 Mn\n0.750055 0.250000 0.945738 F\n0.750062 0.750000 0.054257 F\n0.749938 0.250000 0.554257 F\n0.749946 0.750000 0.445738 F\n0.500002 0.540216 0.750085 F\n0.500002 0.959785 0.750085 F\n0.499998 0.459785 0.249915 F\n0.249938 0.250000 0.945743 F\n0.250055 0.250000 0.554262 F\n0.250062 0.750000 0.445743 F\n0.999998 0.459785 0.250085 F\n0.249946 0.750000 0.054262 F\n0.000002 0.540216 0.749915 F\n0.000002 0.959785 0.749915 F\n0.499998 0.040216 0.249915 F\n0.999998 0.040216 0.250085 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.5250561532929705,
"density_atomic": 0.09238257108308452,
"volume": 259.78926239685984,
"volume_molar": 6.5186979420436035,
"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3466213952298851,
"spacegroup": 65
},
{
"id": "jvasp-50684",
"created_at": "2022-09-04T14:37:26.965956Z",
"updated_at": "2022-09-04T14:37:26.965974Z",
"structure_string": "Li2 Cu4 P2 O8\n1.0\n0.000000 5.183974 -0.057542\n5.321998 0.000000 0.000000\n0.000000 -5.074470 -6.221246\nLi Cu P O\n2 4 2 8\ndirect\n0.997746 0.179888 0.999290 Li\n0.997746 0.820112 0.499290 Li\n0.450469 0.839515 0.978722 Cu\n0.268933 0.267060 0.753570 Cu\n0.450468 0.160486 0.478722 Cu\n0.268933 0.732941 0.253570 Cu\n0.737245 0.665011 0.747211 P\n0.737244 0.334989 0.247211 P\n0.022339 0.818237 0.947941 O\n0.844121 0.390470 0.758062 O\n0.425222 0.677946 0.732458 O\n0.671261 0.797698 0.549518 O\n0.022339 0.181763 0.447940 O\n0.844121 0.609530 0.258062 O\n0.425221 0.322055 0.232457 O\n0.671261 0.202303 0.049518 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 4.39130486085285,
"density_atomic": 0.09238271540440587,
"volume": 173.19257103409342,
"volume_molar": 6.518687758460058,
"formula_full": "Li2 Cu4 P2 O8",
"formula_reduced": "LiCu2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6100238,
"spacegroup": 7
},
{
"id": "jvasp-18300",
"created_at": "2022-09-04T14:38:07.588125Z",
"updated_at": "2022-09-04T14:38:07.588152Z",
"structure_string": "Fe4 Si2\n1.0\n1.966512 -3.406099 0.000000\n1.966512 3.406099 -0.000000\n0.000000 0.000000 4.848120\nFe Si\n4 2\ndirect\n0.333332 0.666667 0.321763 Fe\n0.666667 0.333332 0.678237 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333332 0.182141 Si\n0.333332 0.666667 0.817859 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.147479581385503,
"density_atomic": 0.0923834179806994,
"volume": 64.94672021394045,
"volume_molar": 6.518638183811445,
"formula_full": "Fe4 Si2",
"formula_reduced": "Fe2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 2.853866533333333,
"spacegroup": 164
},
{
"id": "jvasp-118999",
"created_at": "2022-09-04T14:38:51.069901Z",
"updated_at": "2022-09-04T14:38:51.069927Z",
"structure_string": "Na4 Fe8 O16\n1.0\n4.847330 0.000000 0.000000\n-0.000000 4.973577 2.563534\n-0.000000 -0.147083 12.495762\nNa Fe O\n4 8 16\ndirect\n0.969390 0.500000 0.250000 Na\n0.647220 0.000000 0.750000 Na\n0.352780 0.000000 0.250000 Na\n0.030610 0.500001 0.750000 Na\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500001 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.997100 0.753821 0.496171 Fe\n0.002900 0.753821 0.996171 Fe\n0.997100 0.246180 0.003828 Fe\n0.002900 0.246180 0.503828 Fe\n0.329949 0.661999 0.588021 O\n0.166321 0.093736 0.407692 O\n0.166335 0.590833 0.407686 O\n0.336201 0.841799 0.908187 O\n0.336201 0.158203 0.591812 O\n0.329949 0.338002 0.911978 O\n0.670051 0.338002 0.411978 O\n0.833679 0.093737 0.907692 O\n0.663799 0.841798 0.408187 O\n0.663799 0.158202 0.091813 O\n0.833665 0.590834 0.907686 O\n0.833679 0.906265 0.592307 O\n0.166321 0.906264 0.092307 O\n0.833665 0.409168 0.592313 O\n0.670051 0.661999 0.088021 O\n0.166335 0.409168 0.092313 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 4.354080278913823,
"density_atomic": 0.09238404503155467,
"volume": 303.0826371635527,
"volume_molar": 6.518593938967577,
"formula_full": "Na4 Fe8 O16",
"formula_reduced": "Na(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.345253428571428,
"spacegroup": 59
},
{
"id": "jvasp-65226",
"created_at": "2022-09-04T14:35:53.876722Z",
"updated_at": "2022-09-04T14:35:53.876749Z",
"structure_string": "Be1 Co1 Rh1\n1.0\n-1.359056 1.359056 4.395023\n1.359056 -1.359056 4.395023\n1.359056 1.359056 -4.395023\nBe Co Rh\n1 1 1\ndirect\n0.004562 0.004562 0.000000 Be\n0.650624 0.650624 0.000000 Co\n0.344814 0.344814 0.000000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Co",
"Rh"
],
"chemical_system": "Be-Co-Rh",
"density": 8.737163482292301,
"density_atomic": 0.09239009352877793,
"volume": 32.47101377882631,
"volume_molar": 6.518167186533052,
"formula_full": "Be1 Co1 Rh1",
"formula_reduced": "BeCoRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2914233333333334,
"spacegroup": 107
}
]
}