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=1161",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1159",
"results": [
{
"id": "jvasp-109911",
"created_at": "2022-09-04T14:38:16.367683Z",
"updated_at": "2022-09-04T14:38:16.367769Z",
"structure_string": "Cu2 As2 O6\n1.0\n3.247276 -0.000000 0.000000\n0.000000 4.757352 0.000000\n0.000000 -0.000000 8.338243\nCu As O\n2 2 6\ndirect\n-0.000000 0.500000 -0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500001 0.063632 0.250000 As\n0.500001 0.936368 0.750000 As\n-0.000000 0.124704 0.750000 O\n0.500001 0.288528 0.417123 O\n0.500001 0.288528 0.082876 O\n0.500001 0.711471 0.582876 O\n0.500001 0.711471 0.917123 O\n-0.000000 0.875296 0.250000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-O",
"density": 4.807499472178208,
"density_atomic": 0.0776320336895234,
"volume": 128.81280477583985,
"volume_molar": 7.757288420505078,
"formula_full": "Cu2 As2 O6",
"formula_reduced": "CuAsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7544865399999998,
"spacegroup": 51
},
{
"id": "jvasp-55252",
"created_at": "2022-09-04T14:38:36.658728Z",
"updated_at": "2022-09-04T14:38:36.658748Z",
"structure_string": "Na6 Ca4 Ta2 O12\n1.0\n5.689418 0.004779 -1.052084\n-2.242835 5.228689 -1.052084\n0.000919 0.001396 10.388096\nNa Ca Ta O\n6 4 2 12\ndirect\n0.787900 0.537899 0.075798 Na\n0.625001 0.375001 0.750001 Na\n0.537900 0.787899 0.575798 Na\n0.212102 0.462102 0.924203 Na\n0.462102 0.212102 0.424203 Na\n0.375001 0.625000 0.250001 Na\n0.705563 0.955563 0.911124 Ca\n0.044439 0.294439 0.588877 Ca\n0.294439 0.044439 0.088877 Ca\n0.955563 0.705562 0.411124 Ca\n0.875001 0.125000 0.250001 Ta\n0.125001 0.875001 0.750001 Ta\n0.088539 0.911463 0.250001 O\n0.838445 0.581085 0.602256 O\n0.418916 0.161557 0.897745 O\n0.581086 0.838444 0.102256 O\n0.736190 0.978830 0.397745 O\n0.161557 0.418916 0.397745 O\n0.021171 0.263812 0.102256 O\n0.338539 0.661463 0.750001 O\n0.911463 0.088539 0.750001 O\n0.661463 0.338538 0.250001 O\n0.263812 0.021171 0.602256 O\n0.978831 0.736189 0.897746 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-Na-O-Ta",
"density": 4.577023139166966,
"density_atomic": 0.07763091777125386,
"volume": 309.1551753995496,
"volume_molar": 7.757399928910736,
"formula_full": "Na6 Ca4 Ta2 O12",
"formula_reduced": "Na3Ca2TaO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.6174156699999995,
"spacegroup": 70
},
{
"id": "jvasp-74928",
"created_at": "2022-09-04T14:36:22.280362Z",
"updated_at": "2022-09-04T14:36:22.280387Z",
"structure_string": "Be2 Nb1 Ge1\n1.0\n-1.754152 1.754152 4.186454\n1.754152 -1.754152 4.186454\n1.754152 1.754152 -4.186454\nBe Nb Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n0.749999 0.250000 0.500000 Nb\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Ge"
],
"chemical_system": "Be-Ge-Nb",
"density": 5.915777138181227,
"density_atomic": 0.07762814894562672,
"volume": 51.52770038097559,
"volume_molar": 7.757676618333515,
"formula_full": "Be2 Nb1 Ge1",
"formula_reduced": "Be2NbGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4654318875,
"spacegroup": 119
},
{
"id": "jvasp-99590",
"created_at": "2022-09-04T14:36:34.832128Z",
"updated_at": "2022-09-04T14:36:34.832159Z",
"structure_string": "Na2 Li1 As1 F6\n1.0\n4.909423 -0.000000 2.834456\n1.636474 4.628648 2.834456\n-0.000000 -0.000000 5.668913\nNa Li As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 As\n0.744930 0.255069 0.255070 F\n0.255069 0.255069 0.744931 F\n0.255068 0.744931 0.744932 F\n0.255068 0.744931 0.255070 F\n0.744930 0.255069 0.744932 F\n0.744930 0.744931 0.255070 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"As",
"F"
],
"chemical_system": "As-F-Li-Na",
"density": 3.1173062270392977,
"density_atomic": 0.07762750008364577,
"volume": 128.82032770892692,
"volume_molar": 7.757741462124863,
"formula_full": "Na2 Li1 As1 F6",
"formula_reduced": "Na2LiAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93811",
"created_at": "2022-09-04T14:36:32.452200Z",
"updated_at": "2022-09-04T14:36:32.452224Z",
"structure_string": "Zr2 Ta1 N3\n1.0\n0.000000 0.000000 -3.075914\n-2.693333 -4.664990 0.000000\n-2.693300 4.664971 0.000000\nZr Ta N\n2 1 3\ndirect\n0.499999 0.333311 0.666662 Zr\n0.499999 0.666649 0.333337 Zr\n0.000000 0.999976 -0.000000 Ta\n0.000000 0.499993 -0.000000 N\n0.000000 0.499986 0.500005 N\n0.000000 0.999981 0.499994 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"N"
],
"chemical_system": "N-Ta-Zr",
"density": 8.709807400680049,
"density_atomic": 0.07762647073385388,
"volume": 77.29322154257522,
"volume_molar": 7.757844332054206,
"formula_full": "Zr2 Ta1 N3",
"formula_reduced": "Zr2TaN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.506644658333333,
"spacegroup": 191
},
{
"id": "jvasp-111831",
"created_at": "2022-09-04T14:38:39.069511Z",
"updated_at": "2022-09-04T14:38:39.069531Z",
"structure_string": "Ba1 Be2 P2 O8\n1.0\n5.093966 0.000000 0.000000\n-2.546983 4.411504 0.000000\n0.000000 0.000000 7.452438\nBa Be P O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.297012 Be\n0.333333 0.666666 0.702989 Be\n0.333333 0.666666 0.289656 P\n0.666668 0.333333 0.710344 P\n0.666668 0.333333 0.508503 O\n0.333333 0.666666 0.491497 O\n0.495898 0.991795 0.209705 O\n0.008204 0.504102 0.209705 O\n0.495898 0.504102 0.209705 O\n0.504103 0.008204 0.790296 O\n0.991797 0.495897 0.790296 O\n0.504103 0.495897 0.790296 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Be",
"P",
"O"
],
"chemical_system": "Ba-Be-O-P",
"density": 3.4237114018259733,
"density_atomic": 0.0776251158626832,
"volume": 167.47156967851308,
"volume_molar": 7.757979737708875,
"formula_full": "Ba1 Be2 P2 O8",
"formula_reduced": "BaBe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.4896043976923075,
"spacegroup": 164
},
{
"id": "jvasp-78983",
"created_at": "2022-09-04T14:37:16.081208Z",
"updated_at": "2022-09-04T14:37:16.081232Z",
"structure_string": "Zn1 Cr3\n1.0\n-0.000000 2.953560 2.953560\n2.953560 0.000000 2.953560\n2.953560 2.953560 0.000000\nZn Cr\n1 3\ndirect\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Cr\n0.499999 0.499999 0.499999 Cr\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Cr"
],
"chemical_system": "Cr-Zn",
"density": 7.1343437160605525,
"density_atomic": 0.07762338945088414,
"volume": 51.530859812956024,
"volume_molar": 7.758152281936211,
"formula_full": "Zn1 Cr3",
"formula_reduced": "ZnCr3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.25908315,
"spacegroup": 225
},
{
"id": "jvasp-55162",
"created_at": "2022-09-04T14:38:31.170251Z",
"updated_at": "2022-09-04T14:38:31.170272Z",
"structure_string": "Cu3 Pd1\n1.0\n3.721565 0.000000 0.000000\n0.000000 3.721565 -0.000000\n0.000000 0.000000 3.720725\nCu Pd\n3 1\ndirect\n0.499999 0.499999 0.000000 Cu\n0.000000 0.499999 0.500001 Cu\n0.499999 0.000000 0.500001 Cu\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd",
"density": 9.572195512040981,
"density_atomic": 0.07762135175712753,
"volume": 51.53221258650269,
"volume_molar": 7.7583559467540715,
"formula_full": "Cu3 Pd1",
"formula_reduced": "Cu3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0735792625,
"spacegroup": 221
},
{
"id": "jvasp-9607",
"created_at": "2022-09-04T14:38:13.959670Z",
"updated_at": "2022-09-04T14:38:13.959694Z",
"structure_string": "Cd4 Si2 O8\n1.0\n5.652743 -0.026828 -1.363987\n-3.022367 4.776978 -1.363987\n-0.013205 -0.023847 6.713524\nCd Si O\n4 2 8\ndirect\n0.807896 0.192101 0.749999 Cd\n0.442101 0.557897 0.749999 Cd\n0.192101 0.807898 0.249999 Cd\n0.557897 0.442102 0.249999 Cd\n0.124999 0.875000 0.749999 Si\n0.874999 0.125000 0.249999 Si\n0.249869 0.208475 0.898109 O\n0.310364 0.851761 0.601889 O\n0.791522 0.750129 0.601888 O\n0.148238 0.689634 0.898109 O\n0.750129 0.791524 0.101889 O\n0.689633 0.148239 0.398109 O\n0.851760 0.310365 0.101889 O\n0.208475 0.249870 0.398110 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-O-Si",
"density": 5.834963973632426,
"density_atomic": 0.07761718594500586,
"volume": 180.3724243483837,
"volume_molar": 7.7587723474887,
"formula_full": "Cd4 Si2 O8",
"formula_reduced": "Cd2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1811760142857135,
"spacegroup": 70
},
{
"id": "jvasp-52603",
"created_at": "2022-09-04T14:37:05.511898Z",
"updated_at": "2022-09-04T14:37:05.511930Z",
"structure_string": "V12 P7\n1.0\n4.673009 -8.093889 -0.000000\n4.673009 8.093889 -0.000000\n0.000000 -0.000000 3.236150\nV P\n12 7\ndirect\n0.198024 0.202501 0.500000 V\n0.747631 0.735123 0.000000 V\n0.869505 0.496598 0.000000 V\n0.503402 0.372907 0.000000 V\n0.627093 0.130495 0.000000 V\n0.797499 0.995524 0.500000 V\n0.987491 0.252369 0.000000 V\n0.264877 0.012509 0.000000 V\n0.489816 0.622634 0.500000 V\n0.004476 0.801976 0.500000 V\n0.132817 0.510184 0.500000 V\n0.377367 0.867183 0.500000 V\n0.829866 0.291651 0.500000 P\n0.285227 0.441798 0.000000 P\n0.156570 0.714773 0.000000 P\n0.558202 0.843430 0.000000 P\n0.461785 0.170134 0.500000 P\n0.000000 0.000000 0.000000 P\n0.708349 0.538215 0.500000 P\n",
"nsites": 19,
"nelements": 2,
"elements": [
"V",
"P"
],
"chemical_system": "P-V",
"density": 5.617290687466562,
"density_atomic": 0.07761418475912656,
"volume": 244.80061291587313,
"volume_molar": 7.759072363756116,
"formula_full": "V12 P7",
"formula_reduced": "V12P7",
"formula_anonymous": "A7B12",
"energy_above_hull": 4.811454678947368,
"spacegroup": 174
},
{
"id": "jvasp-121244",
"created_at": "2022-09-04T14:38:55.490314Z",
"updated_at": "2022-09-04T14:38:55.490333Z",
"structure_string": "Zn1 Si1 N1\n1.0\n4.191707 -0.000000 -0.000000\n-2.095853 3.630125 0.000000\n0.000000 -0.000000 2.540282\nZn Si N\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Zn\n0.333334 0.666667 0.000000 Si\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Si",
"N"
],
"chemical_system": "N-Si-Zn",
"density": 4.618149426851555,
"density_atomic": 0.0776116338482482,
"volume": 38.65399877891779,
"volume_molar": 7.759327386117035,
"formula_full": "Zn1 Si1 N1",
"formula_reduced": "ZnSiN",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-59276",
"created_at": "2022-09-04T14:38:08.886513Z",
"updated_at": "2022-09-04T14:38:08.886543Z",
"structure_string": "Li2 Ca2 Ta4 O12 F2\n1.0\n7.369841 0.038108 0.013081\n3.717923 6.439632 0.000000\n3.706601 2.153081 5.995125\nLi Ca Ta O F\n2 2 4 12 2\ndirect\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n-0.000000 -0.000000 0.500000 Ta\n-0.000000 0.500000 0.000000 Ta\n0.677933 0.065998 0.074828 O\n0.074828 0.681239 0.677934 O\n0.074828 0.065998 0.677934 O\n0.324969 0.925030 0.324970 O\n0.677933 0.681239 0.074828 O\n0.675030 0.074970 0.675031 O\n0.925172 0.318760 0.322066 O\n0.322066 0.934001 0.925173 O\n0.925171 0.934002 0.322066 O\n0.934586 0.315413 0.934587 O\n0.065413 0.684586 0.065414 O\n0.322066 0.318759 0.925173 O\n0.632614 0.617385 0.632615 F\n0.367385 0.382614 0.367386 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Ta",
"O",
"F"
],
"chemical_system": "Ca-F-Li-O-Ta",
"density": 6.138104748218685,
"density_atomic": 0.07761069226992987,
"volume": 283.46609670074884,
"volume_molar": 7.759421522816733,
"formula_full": "Li2 Ca2 Ta4 O12 F2",
"formula_reduced": "LiCaTa2O6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 2.7906309184090903,
"spacegroup": 74
}
]
}