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=853",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=851",
"results": [
{
"id": "jvasp-34330",
"created_at": "2022-09-04T14:36:38.554894Z",
"updated_at": "2022-09-04T14:36:38.554922Z",
"structure_string": "Si6 O12\n1.0\n3.684019 -6.380908 -0.000000\n3.684019 6.380908 0.000000\n0.000000 0.000000 7.072515\nSi O\n6 12\ndirect\n0.766943 0.533885 0.250000 Si\n0.233057 0.466116 0.750000 Si\n0.766943 0.233057 0.583333 Si\n0.533885 0.766943 0.416667 Si\n0.233057 0.766943 0.083333 Si\n0.466116 0.233057 0.916666 Si\n0.612396 0.387604 0.083333 O\n0.683061 -0.000000 0.500000 O\n0.316939 0.316939 0.833332 O\n0.612396 0.224793 0.750000 O\n0.387604 0.612396 0.583333 O\n0.387604 0.775207 0.250000 O\n-0.000000 0.683061 0.166667 O\n0.775207 0.387604 0.416667 O\n0.316939 -0.000000 0.000000 O\n0.224793 0.612396 0.916666 O\n-0.000000 0.316939 0.666667 O\n0.683061 0.683061 0.333333 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.8003342200833796,
"density_atomic": 0.05413327321180565,
"volume": 332.5126845659588,
"volume_molar": 11.124656616342687,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4027052000000002,
"spacegroup": 179
},
{
"id": "jvasp-99450",
"created_at": "2022-09-04T14:36:35.077317Z",
"updated_at": "2022-09-04T14:36:35.077348Z",
"structure_string": "Fe4 Si2\n1.0\n2.806097 0.000000 0.000000\n0.000000 2.806097 0.000000\n0.000000 0.000000 8.284722\nFe Si\n4 2\ndirect\n0.000000 0.000000 0.827125 Fe\n0.000000 0.000000 0.172875 Fe\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500001 -0.000000 Fe\n0.500001 0.500001 0.331743 Si\n0.500001 0.500001 0.668256 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.115851049314621,
"density_atomic": 0.0919746092719582,
"volume": 65.23539537154976,
"volume_molar": 6.5476122243620845,
"formula_full": "Fe4 Si2",
"formula_reduced": "Fe2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8767932,
"spacegroup": 123
},
{
"id": "jvasp-14651",
"created_at": "2022-09-04T14:36:35.051435Z",
"updated_at": "2022-09-04T14:36:35.051470Z",
"structure_string": "Y1 C2\n1.0\n3.273259 -0.000000 -1.671516\n-0.853573 3.160006 -1.671516\n0.001799 0.002350 4.044225\nY C\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.604440 0.604440 0.208876 C\n0.395562 0.395562 0.791122 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"C"
],
"chemical_system": "C-Y",
"density": 4.47999361036919,
"density_atomic": 0.07167221056441367,
"volume": 41.85722717877974,
"volume_molar": 8.402337129796976,
"formula_full": "Y1 C2",
"formula_reduced": "YC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.30496515,
"spacegroup": 139
},
{
"id": "jvasp-5086",
"created_at": "2022-09-04T14:36:34.929993Z",
"updated_at": "2022-09-04T14:36:34.930007Z",
"structure_string": "K2 O4\n1.0\n3.707501 -0.000000 1.115607\n1.830908 5.030221 0.633714\n0.403555 0.007715 5.377246\nK O\n2 4\ndirect\n0.500001 0.499999 0.500000 K\n0.000000 0.000000 0.000000 K\n0.156121 0.045240 0.454732 O\n0.156092 0.454759 0.045268 O\n0.843908 0.545240 -0.045268 O\n0.843881 0.954759 0.545268 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.4089796453255357,
"density_atomic": 0.06121437238848829,
"volume": 98.01619727344185,
"volume_molar": 9.837788945676582,
"formula_full": "K2 O4",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.95773675,
"spacegroup": 74
},
{
"id": "jvasp-4831",
"created_at": "2022-09-04T14:36:34.926942Z",
"updated_at": "2022-09-04T14:36:34.926963Z",
"structure_string": "Sr4 Si2\n1.0\n2.699244 -4.675229 0.000000\n2.699244 4.675229 0.000000\n0.000000 0.000000 7.437674\nSr Si\n4 2\ndirect\n0.666666 0.333332 0.250000 Sr\n0.333332 0.666666 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.5971518763305816,
"density_atomic": 0.03196237797302403,
"volume": 187.72070103995227,
"volume_molar": 18.841341420474514,
"formula_full": "Sr4 Si2",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4635837399999997,
"spacegroup": 194
},
{
"id": "jvasp-30349",
"created_at": "2022-09-04T14:36:36.865070Z",
"updated_at": "2022-09-04T14:36:36.865095Z",
"structure_string": "Mn2 O4\n1.0\n-0.407970 2.852426 -0.000025\n-8.632215 -2.685758 0.094628\n-0.407434 1.397171 2.486935\nMn O\n2 4\ndirect\n0.000039 0.500012 0.499988 Mn\n0.999958 0.999987 0.000016 Mn\n0.262061 0.892829 0.368964 O\n0.404572 0.607139 0.797722 O\n0.595504 0.392884 0.202256 O\n0.737859 0.107145 0.631066 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.518059446284002,
"density_atomic": 0.09389019105871355,
"volume": 63.90443913622397,
"volume_molar": 6.414025461119892,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0992947471264376,
"spacegroup": 166
},
{
"id": "jvasp-52630",
"created_at": "2022-09-04T14:36:34.855457Z",
"updated_at": "2022-09-04T14:36:34.855483Z",
"structure_string": "K4 O2\n1.0\n5.164928 0.001383 -0.018476\n-0.001592 5.164867 -0.008880\n-2.526679 -2.555411 6.602445\nK O\n4 2\ndirect\n0.049545 0.050715 0.101788 K\n0.452232 0.452456 0.903299 K\n0.698499 0.204462 0.403360 K\n0.295731 0.802621 0.601754 K\n0.500625 0.001715 0.002552 O\n0.247417 0.253397 0.502551 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 1.7797862516818868,
"density_atomic": 0.03413560024006878,
"volume": 175.76957656532218,
"volume_molar": 17.641818856699462,
"formula_full": "K4 O2",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0343666666666667,
"spacegroup": 141
},
{
"id": "jvasp-305",
"created_at": "2022-09-04T14:36:37.490058Z",
"updated_at": "2022-09-04T14:36:37.490075Z",
"structure_string": "Ti2 O4\n1.0\n1.695044 -2.935903 0.000000\n1.695044 2.935903 0.000000\n0.000000 0.000000 10.690458\nTi O\n2 4\ndirect\n0.666666 0.333332 0.250000 Ti\n0.333332 0.666666 0.750000 Ti\n0.333332 0.666666 0.588500 O\n0.666666 0.333332 0.088500 O\n0.333332 0.666666 0.911500 O\n0.666666 0.333332 0.411500 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 2.492820188804032,
"density_atomic": 0.0563900220302139,
"volume": 106.40180273001467,
"volume_molar": 10.679443885965009,
"formula_full": "Ti2 O4",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4189884444444445,
"spacegroup": 194
},
{
"id": "jvasp-93827",
"created_at": "2022-09-04T14:36:17.660116Z",
"updated_at": "2022-09-04T14:36:17.660145Z",
"structure_string": "Lu2 Ga4\n1.0\n-4.159684 0.000000 0.000000\n-2.079842 -3.400123 4.080766\n-2.079842 3.400123 4.080766\nLu Ga\n2 4\ndirect\n0.563477 0.686522 0.186522 Lu\n0.436520 0.313479 0.813479 Lu\n0.158444 0.290801 0.392309 Ga\n0.841553 0.709200 0.607692 Ga\n0.841554 0.107691 0.209199 Ga\n0.158443 0.892310 0.790802 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Ga"
],
"chemical_system": "Ga-Lu",
"density": 9.045923947276755,
"density_atomic": 0.05197860203005072,
"volume": 115.43211563349053,
"volume_molar": 11.58580747615794,
"formula_full": "Lu2 Ga4",
"formula_reduced": "LuGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0492239722222222,
"spacegroup": 74
},
{
"id": "jvasp-78818",
"created_at": "2022-09-04T14:36:36.832157Z",
"updated_at": "2022-09-04T14:36:36.832180Z",
"structure_string": "Dy1 Hg2\n1.0\n0.000000 0.000000 -3.386111\n-2.468347 -4.275302 0.000000\n-2.468451 4.275361 0.000000\nDy Hg\n1 2\ndirect\n0.000000 0.999972 0.000001 Dy\n0.500000 0.333300 0.666671 Hg\n0.500000 0.666629 0.333329 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"Hg"
],
"chemical_system": "Dy-Hg",
"density": 13.096805584278789,
"density_atomic": 0.041976373170311325,
"volume": 71.46877572838554,
"volume_molar": 14.346500912706976,
"formula_full": "Dy1 Hg2",
"formula_reduced": "DyHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1929740555555555,
"spacegroup": 191
},
{
"id": "jvasp-8279",
"created_at": "2022-09-04T14:36:36.837764Z",
"updated_at": "2022-09-04T14:36:36.837796Z",
"structure_string": "Cr2 N4\n1.0\n3.453337 0.000000 1.387876\n0.723080 4.003012 3.191084\n-0.008365 0.715485 5.011079\nCr N\n2 4\ndirect\n0.353753 0.965635 0.326859 Cr\n0.646247 0.034365 0.673141 Cr\n0.143834 0.131352 0.580978 N\n0.856165 0.868649 0.419021 N\n0.396857 0.342817 0.863467 N\n0.603143 0.657184 0.136533 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 4.275301275992199,
"density_atomic": 0.09653778395439315,
"volume": 62.15183065352473,
"volume_molar": 6.238117878120145,
"formula_full": "Cr2 N4",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.520237966666666,
"spacegroup": 12
},
{
"id": "jvasp-78811",
"created_at": "2022-09-04T14:36:34.809145Z",
"updated_at": "2022-09-04T14:36:34.809179Z",
"structure_string": "Sr1 F2\n1.0\n-2.907766 -2.907766 -0.000000\n-2.907766 -0.000000 -2.907766\n0.000000 -2.907766 -2.907766\nSr F\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 F\n0.750001 0.750001 0.750001 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"F"
],
"chemical_system": "F-Sr",
"density": 4.242174093515229,
"density_atomic": 0.061011667770920014,
"volume": 49.17092270390107,
"volume_molar": 9.870473927399068,
"formula_full": "Sr1 F2",
"formula_reduced": "SrF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0010799999999999,
"spacegroup": 225
}
]
}