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=-created_at&page=1051",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1049",
"results": [
{
"id": "jvasp-16505",
"created_at": "2022-09-04T14:38:14.414312Z",
"updated_at": "2022-09-04T14:38:14.414336Z",
"structure_string": "Er1 Hg2\n1.0\n2.460345 -4.261443 -0.000000\n2.460345 4.261443 0.000000\n-0.000000 -0.000000 3.360595\nEr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.333332 0.666666 0.499999 Hg\n0.666666 0.333332 0.499999 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Hg"
],
"chemical_system": "Er-Hg",
"density": 13.394734132912582,
"density_atomic": 0.042571836777060806,
"volume": 70.46912294882482,
"volume_molar": 14.14583258771898,
"formula_full": "Er1 Hg2",
"formula_reduced": "ErHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1931188888888888,
"spacegroup": 191
},
{
"id": "jvasp-34751",
"created_at": "2022-09-04T14:38:14.411727Z",
"updated_at": "2022-09-04T14:38:14.411759Z",
"structure_string": "Co4 N12\n1.0\n5.108212 -0.000000 -1.806026\n-2.554106 4.423841 -1.806026\n0.000000 0.000000 5.418077\nCo N\n4 12\ndirect\n0.500000 0.000000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 -0.000001 Co\n0.499999 0.500000 0.499999 Co\n0.509773 0.884162 0.625611 N\n0.258549 0.884162 0.374387 N\n0.741450 0.115838 0.625612 N\n0.115838 0.374388 0.490226 N\n0.490226 0.115838 0.374388 N\n0.115837 0.625612 0.741450 N\n0.374388 0.258550 0.884162 N\n0.884161 0.625612 0.509773 N\n0.625611 0.741450 0.115837 N\n0.884161 0.374388 0.258549 N\n0.625611 0.509774 0.884161 N\n0.374387 0.490226 0.115837 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 5.47666267376069,
"density_atomic": 0.13067917605986984,
"volume": 122.43725804231961,
"volume_molar": 4.6083400137455675,
"formula_full": "Co4 N12",
"formula_reduced": "CoN3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.8085251625000005,
"spacegroup": 204
},
{
"id": "jvasp-54740",
"created_at": "2022-09-04T14:38:14.406438Z",
"updated_at": "2022-09-04T14:38:14.406470Z",
"structure_string": "Ba2 H8 O12\n1.0\n4.216038 3.183288 -0.497185\n-4.216038 3.183288 0.497185\n-0.006311 0.000000 8.148261\nBa H O\n2 8 12\ndirect\n0.787963 0.792104 0.768217 Ba\n0.207897 0.212038 0.268217 Ba\n0.269213 0.677866 0.562182 H\n0.673949 0.273463 0.974253 H\n0.726538 0.326052 0.474254 H\n0.322135 0.730787 0.062182 H\n0.363493 0.184161 0.653371 H\n0.815839 0.636508 0.153371 H\n0.180226 0.367719 0.883054 H\n0.632282 0.819774 0.383054 H\n0.453116 0.385805 0.966343 O\n0.381610 0.457036 0.570160 O\n0.011847 0.666460 0.202480 O\n0.662234 0.015764 0.333934 O\n-0.015764 0.337767 0.833933 O\n0.192879 0.845070 0.557054 O\n0.154930 0.807122 0.057054 O\n0.802906 0.158864 0.479352 O\n0.841136 0.197094 0.979352 O\n0.614196 0.546885 0.466343 O\n0.333541 0.988154 0.702480 O\n0.542964 0.618391 0.070160 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.604475381590027,
"density_atomic": 0.10059745039261138,
"volume": 218.6934153314868,
"volume_molar": 5.986375138233434,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.603897906363636,
"spacegroup": 15
},
{
"id": "jvasp-17845",
"created_at": "2022-09-04T14:38:14.406018Z",
"updated_at": "2022-09-04T14:38:14.406043Z",
"structure_string": "Pt3 Pb1\n1.0\n4.136824 0.000000 -0.000000\n0.000000 4.136824 -0.000000\n-0.000000 0.000000 4.136824\nPt Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pt",
"Pb"
],
"chemical_system": "Pb-Pt",
"density": 18.58749780423872,
"density_atomic": 0.056501354374523305,
"volume": 70.79476313940567,
"volume_molar": 10.658400717409013,
"formula_full": "Pt3 Pb1",
"formula_reduced": "Pt3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0080137550000003,
"spacegroup": 221
},
{
"id": "jvasp-110315",
"created_at": "2022-09-04T14:38:14.402525Z",
"updated_at": "2022-09-04T14:38:14.402551Z",
"structure_string": "La2 Fe2 P2 O2\n1.0\n3.930944 -0.000000 0.000000\n0.000000 3.930944 0.000000\n-0.000000 -0.000000 8.451415\nLa Fe P O\n2 2 2 2\ndirect\n0.499999 0.000000 0.152416 La\n-0.000000 0.499999 0.847583 La\n0.000000 0.000000 0.500000 Fe\n0.499999 0.499999 0.500000 Fe\n0.499999 0.000000 0.625627 P\n-0.000000 0.499999 0.374373 P\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-La-O-P",
"density": 6.147167717424109,
"density_atomic": 0.061258568682186446,
"volume": 130.59397521193378,
"volume_molar": 9.830691264177702,
"formula_full": "La2 Fe2 P2 O2",
"formula_reduced": "LaFePO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.1410448750000004,
"spacegroup": 129
},
{
"id": "jvasp-17742",
"created_at": "2022-09-04T14:38:14.396268Z",
"updated_at": "2022-09-04T14:38:14.396298Z",
"structure_string": "Ho3 Mg3 In3\n1.0\n3.734198 -6.467821 0.000000\n3.734198 6.467821 0.000000\n0.000000 -0.000000 4.633184\nHo Mg In\n3 3 3\ndirect\n0.000000 0.566046 0.000000 Ho\n0.433954 0.433954 0.000000 Ho\n0.566046 0.000000 0.000000 Ho\n0.757653 0.757653 0.500000 Mg\n0.242347 0.000000 0.500000 Mg\n0.000000 0.242347 0.500000 Mg\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.500000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"In"
],
"chemical_system": "Ho-In-Mg",
"density": 6.767920123299002,
"density_atomic": 0.04021403316598684,
"volume": 223.8024712132637,
"volume_molar": 14.975222045356912,
"formula_full": "Ho3 Mg3 In3",
"formula_reduced": "HoMgIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-55277",
"created_at": "2022-09-04T14:38:14.384989Z",
"updated_at": "2022-09-04T14:38:14.385009Z",
"structure_string": "Ca4 Y8 S16\n1.0\n3.891924 0.000000 0.000000\n0.000000 12.963118 0.000000\n0.000000 0.000000 13.099409\nCa Y S\n4 8 16\ndirect\n0.749999 0.630375 0.417872 Ca\n0.250000 0.369625 0.582128 Ca\n0.749999 0.130375 0.082128 Ca\n0.250000 0.869625 0.917872 Ca\n0.749999 0.854018 0.203000 Y\n0.250000 0.145982 0.797000 Y\n0.250000 0.645982 0.703000 Y\n0.749999 0.354018 0.297000 Y\n0.749999 0.392132 0.916210 Y\n0.250000 0.107868 0.416210 Y\n0.749999 0.892132 0.583790 Y\n0.250000 0.607868 0.083790 Y\n0.250000 0.533967 0.882492 S\n0.250000 0.217582 0.236092 S\n0.749999 0.782418 0.763908 S\n0.749999 0.966033 0.382492 S\n0.250000 0.033967 0.617508 S\n0.749999 0.466033 0.117508 S\n0.250000 0.756332 0.524885 S\n0.749999 0.028397 0.882704 S\n0.250000 0.256332 0.975115 S\n0.749999 0.743668 0.024885 S\n0.749999 0.528397 0.617296 S\n0.250000 0.471603 0.382704 S\n0.749999 0.282418 0.736092 S\n0.250000 0.971603 0.117296 S\n0.749999 0.243668 0.475115 S\n0.250000 0.717582 0.263908 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Y",
"S"
],
"chemical_system": "Ca-S-Y",
"density": 3.4789446633768195,
"density_atomic": 0.04236746738894268,
"volume": 660.8844409545143,
"volume_molar": 14.214068319721406,
"formula_full": "Ca4 Y8 S16",
"formula_reduced": "Ca(YS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.782681617142857,
"spacegroup": 62
},
{
"id": "jvasp-34433",
"created_at": "2022-09-04T14:38:14.382832Z",
"updated_at": "2022-09-04T14:38:14.382850Z",
"structure_string": "Li3 Mn3 Fe3 F18\n1.0\n4.284180 -7.420418 -0.000000\n4.284180 7.420418 0.000000\n0.000000 0.000000 4.644262\nLi Mn Fe F\n3 3 3 18\ndirect\n-0.000000 0.701889 0.500000 Li\n0.701889 -0.000000 0.500000 Li\n0.298111 0.298111 0.500000 Li\n0.361803 -0.000000 0.000000 Mn\n0.638197 0.638197 0.000000 Mn\n-0.000000 0.361803 0.000000 Mn\n0.333333 0.666667 0.502680 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.497319 Fe\n0.419955 0.543862 0.731389 F\n0.455641 0.220767 0.724267 F\n0.220767 0.455641 0.275733 F\n0.234874 0.779233 0.275733 F\n0.544359 0.765126 0.275733 F\n0.456138 0.876093 0.731389 F\n0.123907 0.580045 0.731389 F\n0.543862 0.419955 0.268611 F\n0.100516 0.212621 0.776143 F\n0.580045 0.123907 0.268611 F\n0.112105 0.899484 0.776143 F\n0.765126 0.544359 0.724267 F\n0.787378 0.887894 0.776143 F\n0.899484 0.112105 0.223856 F\n0.887894 0.787378 0.223856 F\n0.212621 0.100516 0.223856 F\n0.876093 0.456138 0.268611 F\n0.779233 0.234874 0.724267 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li-Mn",
"density": 3.909135364401023,
"density_atomic": 0.09143679119625292,
"volume": 295.28595269763207,
"volume_molar": 6.5861243392438595,
"formula_full": "Li3 Mn3 Fe3 F18",
"formula_reduced": "LiMnFeF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.7111949373754787,
"spacegroup": 150
},
{
"id": "jvasp-12348",
"created_at": "2022-09-04T14:38:14.382718Z",
"updated_at": "2022-09-04T14:38:14.382742Z",
"structure_string": "Sr4 Pb2 O8\n1.0\n3.549334 0.000000 0.000000\n0.000000 6.214802 0.000000\n0.000000 0.000000 10.161647\nSr Pb O\n4 2 8\ndirect\n0.499999 0.424387 0.818959 Sr\n0.499999 0.575613 0.181041 Sr\n0.499999 0.924387 0.681041 Sr\n0.499999 0.075613 0.318959 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.133683 0.804805 O\n0.000000 0.866317 0.195195 O\n0.000000 0.633682 0.695196 O\n0.000000 0.366317 0.304805 O\n0.499999 0.272774 0.551461 O\n0.499999 0.727226 0.448540 O\n0.499999 0.227226 0.051461 O\n0.499999 0.772774 0.948540 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.614569555173185,
"density_atomic": 0.06245824334527483,
"volume": 224.14975590342382,
"volume_molar": 9.641867009786138,
"formula_full": "Sr4 Pb2 O8",
"formula_reduced": "Sr2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1576898009523808,
"spacegroup": 55
},
{
"id": "jvasp-17163",
"created_at": "2022-09-04T14:38:14.382573Z",
"updated_at": "2022-09-04T14:38:14.382583Z",
"structure_string": "Y3 Mg3 Al3\n1.0\n3.685437 -6.383365 -0.000000\n3.685437 6.383365 -0.000000\n-0.000000 -0.000000 4.534955\nY Mg Al\n3 3 3\ndirect\n0.431624 0.000000 0.000000 Y\n0.568377 0.568377 0.000000 Y\n0.000000 0.431624 0.000000 Y\n0.241967 0.241967 0.500001 Mg\n0.000001 0.758033 0.500001 Mg\n0.758033 0.000001 0.500001 Mg\n0.666667 0.333334 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.500001 Al\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Y",
"density": 3.2730537716955546,
"density_atomic": 0.04217944511506346,
"volume": 213.37407297437036,
"volume_molar": 14.277430022068556,
"formula_full": "Y3 Mg3 Al3",
"formula_reduced": "YMgAl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9837424333333336,
"spacegroup": 189
},
{
"id": "jvasp-25500",
"created_at": "2022-09-04T14:38:14.380685Z",
"updated_at": "2022-09-04T14:38:14.380709Z",
"structure_string": "Lu4 B8 Ru4\n1.0\n5.245296 0.000000 0.000000\n0.000000 5.818954 0.000000\n0.000000 0.000000 6.297922\nLu B Ru\n4 8 4\ndirect\n0.250000 0.510919 0.664654 Lu\n0.750001 0.489081 0.335345 Lu\n0.250000 0.010919 0.835345 Lu\n0.750001 0.989080 0.164654 Lu\n0.915661 0.133326 0.534635 B\n0.415660 0.866674 0.465365 B\n0.584340 0.633325 0.965364 B\n0.084340 0.366674 0.034635 B\n0.084340 0.866674 0.465365 B\n0.915661 0.633325 0.965364 B\n0.415660 0.366674 0.034635 B\n0.584340 0.133326 0.534635 B\n0.750001 0.815884 0.682553 Ru\n0.750001 0.315885 0.817447 Ru\n0.250000 0.184115 0.317447 Ru\n0.250000 0.684115 0.182553 Ru\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Lu",
"B",
"Ru"
],
"chemical_system": "B-Lu-Ru",
"density": 10.285274915572318,
"density_atomic": 0.0832353442271573,
"volume": 192.22603268551944,
"volume_molar": 7.235076416053493,
"formula_full": "Lu4 B8 Ru4",
"formula_reduced": "LuB2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5274728541666667,
"spacegroup": 62
},
{
"id": "jvasp-10046",
"created_at": "2022-09-04T14:38:14.374856Z",
"updated_at": "2022-09-04T14:38:14.374875Z",
"structure_string": "Mg2 V4 O8\n1.0\n5.969422 -0.013387 -0.054157\n2.973118 5.176364 -0.054157\n2.936628 1.695463 4.795493\nMg V O\n2 4 8\ndirect\n0.125001 0.624999 0.624999 Mg\n0.625001 0.124999 0.624999 Mg\n0.996979 0.996977 0.003020 V\n0.253022 0.253021 0.246978 V\n0.625001 0.624999 0.124999 V\n0.625001 0.624999 0.624999 V\n0.385809 0.385808 0.371330 O\n0.382696 0.862195 0.377553 O\n0.385810 0.385808 0.857051 O\n0.862197 0.382694 0.377553 O\n0.387806 0.867304 0.872444 O\n0.867306 0.387803 0.872444 O\n0.864193 0.864190 0.392947 O\n0.864193 0.864190 0.878668 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 4.22569332507246,
"density_atomic": 0.09366326375225614,
"volume": 149.4716224819015,
"volume_molar": 6.429565358654225,
"formula_full": "Mg2 V4 O8",
"formula_reduced": "MgV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.488111635714285,
"spacegroup": 74
}
]
}