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=-spacegroup&page=4206",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4204",
"results": [
{
"id": "jvasp-100608",
"created_at": "2022-09-04T14:36:46.994295Z",
"updated_at": "2022-09-04T14:36:46.994313Z",
"structure_string": "Mg4 Sc2\n1.0\n6.002869 0.010404 1.566353\n5.164878 3.059178 1.566353\n-0.003424 -0.000941 7.560071\nMg Sc\n4 2\ndirect\n0.196456 0.196456 0.857903 Mg\n0.860170 0.860168 0.530789 Mg\n0.139832 0.139832 0.469210 Mg\n0.803545 0.803544 0.142096 Mg\n0.476383 0.476382 0.805659 Sc\n0.523619 0.523618 0.194340 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.244526636195024,
"density_atomic": 0.04333903787762004,
"volume": 138.44331332279887,
"volume_molar": 13.8954186685113,
"formula_full": "Mg4 Sc2",
"formula_reduced": "Mg2Sc",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5101650499999999,
"spacegroup": 12
},
{
"id": "jvasp-48540",
"created_at": "2022-09-04T14:36:47.035900Z",
"updated_at": "2022-09-04T14:36:47.035917Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.176676 4.176676\n4.256615 0.021204 4.155470\n4.374775 4.280300 -0.103625\nLi Co O F\n2 4 2 6\ndirect\n0.625001 0.125000 0.624999 Li\n0.625000 0.625001 0.125000 Li\n0.985832 0.962394 0.065942 Co\n0.264168 0.287608 0.184058 Co\n0.125000 0.625001 0.624999 Co\n0.625001 0.625001 0.624999 Co\n0.386425 0.410327 0.816825 O\n0.863576 0.839675 0.433174 O\n0.388540 0.377956 0.371916 F\n0.861590 0.377956 0.371916 F\n0.391327 0.871794 0.345554 F\n0.858674 0.378208 0.904445 F\n0.388411 0.872046 0.878083 F\n0.861461 0.872046 0.878083 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.280112171838893,
"density_atomic": 0.09121650246157266,
"volume": 153.48099984317932,
"volume_molar": 6.60202989315117,
"formula_full": "Li2 Co4 O2 F6",
"formula_reduced": "LiCo2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.2455951639285714,
"spacegroup": 12
},
{
"id": "jvasp-79788",
"created_at": "2022-09-04T14:36:47.144422Z",
"updated_at": "2022-09-04T14:36:47.144448Z",
"structure_string": "Na1 N3\n1.0\n3.572693 -1.200377 1.877656\n0.499262 3.735745 1.877656\n0.607925 0.378521 6.159169\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.932988 0.932986 0.623088 N\n0.500000 0.499999 0.500001 N\n0.067012 0.067011 0.376914 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.3826319960630358,
"density_atomic": 0.051231633563738777,
"volume": 78.07676081660529,
"volume_molar": 11.75473109306124,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8768521875,
"spacegroup": 12
},
{
"id": "jvasp-102766",
"created_at": "2022-09-04T14:36:47.323902Z",
"updated_at": "2022-09-04T14:36:47.323910Z",
"structure_string": "Er2 Si2 Pd2\n1.0\n4.344546 -0.007357 3.457494\n2.290213 3.691891 3.457494\n-0.013898 -0.007718 6.923774\nEr Si Pd\n2 2 2\ndirect\n0.450087 0.450086 0.310962 Er\n0.549914 0.549913 0.689036 Er\n0.152580 0.152579 0.899477 Si\n0.847421 0.847419 0.100522 Si\n0.818569 0.818567 0.739604 Pd\n0.181432 0.181431 0.260394 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Si",
"Pd"
],
"chemical_system": "Er-Pd-Si",
"density": 8.995959494609169,
"density_atomic": 0.05385815863017344,
"volume": 111.40373441283168,
"volume_molar": 11.18148283039547,
"formula_full": "Er2 Si2 Pd2",
"formula_reduced": "ErSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5146814333333334,
"spacegroup": 12
},
{
"id": "jvasp-15687",
"created_at": "2022-09-04T14:36:47.405124Z",
"updated_at": "2022-09-04T14:36:47.405149Z",
"structure_string": "Nd2 Fe2 Si2 C1\n1.0\n3.750503 0.000000 1.380876\n1.523753 5.332672 1.645120\n-0.049360 0.035604 5.917744\nNd Fe Si C\n2 2 2 1\ndirect\n0.058662 0.682393 0.200280 Nd\n0.941337 0.317606 0.799720 Nd\n0.694302 0.197702 0.413692 Fe\n0.305697 0.802297 0.586308 Fe\n0.321316 0.116624 0.240742 Si\n0.678683 0.883375 0.759258 Si\n0.500000 0.499999 0.500000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Nd-Si",
"density": 6.558923181121132,
"density_atomic": 0.05903447113181681,
"volume": 118.57478970836969,
"volume_molar": 10.201058203017165,
"formula_full": "Nd2 Fe2 Si2 C1",
"formula_reduced": "Nd2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.5665016,
"spacegroup": 12
},
{
"id": "jvasp-81149",
"created_at": "2022-09-04T14:36:47.719743Z",
"updated_at": "2022-09-04T14:36:47.719773Z",
"structure_string": "Li1 Al1 Hg2\n1.0\n-10.376453 3.523404 -3.499462\n-6.917812 0.649650 0.779906\n-5.978909 4.823906 -2.475710\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000001 Al\n0.753147 -0.007563 0.003618 Hg\n0.246853 0.007563 -0.003619 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Hg"
],
"chemical_system": "Al-Hg-Li",
"density": 8.795856664238851,
"density_atomic": 0.048696463252614716,
"volume": 82.14148898760575,
"volume_molar": 12.366690222983793,
"formula_full": "Li1 Al1 Hg2",
"formula_reduced": "LiAlHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-104729",
"created_at": "2022-09-04T14:36:49.136806Z",
"updated_at": "2022-09-04T14:36:49.136836Z",
"structure_string": "Li2 Co1 Ni1 O4\n1.0\n4.846799 0.003106 0.888545\n4.010915 2.721035 0.888545\n-0.103624 -0.031869 5.004053\nLi Co Ni O\n2 1 1 4\ndirect\n0.748865 0.748863 0.745572 Li\n0.251137 0.251136 0.254429 Li\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.609598 0.609597 0.139135 O\n0.112586 0.112585 0.616754 O\n0.887417 0.887415 0.383247 O\n0.390404 0.390402 0.860866 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.90352561718643,
"density_atomic": 0.12083390604442953,
"volume": 66.20658275383792,
"volume_molar": 4.983817007277506,
"formula_full": "Li2 Co1 Ni1 O4",
"formula_reduced": "Li2CoNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.0360921625,
"spacegroup": 12
},
{
"id": "jvasp-81158",
"created_at": "2022-09-04T14:36:48.471902Z",
"updated_at": "2022-09-04T14:36:48.471932Z",
"structure_string": "In2 Pd1 Rh1\n1.0\n-10.540965 2.603727 -2.023266\n-7.609873 1.516662 1.199100\n-6.648946 4.160029 -0.419350\nIn Pd Rh\n2 1 1\ndirect\n0.741505 0.006589 0.006688 In\n0.258496 -0.006590 -0.006687 In\n0.500000 -0.000001 0.000000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Pd",
"Rh"
],
"chemical_system": "In-Pd-Rh",
"density": 9.868068297282448,
"density_atomic": 0.05415226286229211,
"volume": 73.86579597184891,
"volume_molar": 11.12075551729788,
"formula_full": "In2 Pd1 Rh1",
"formula_reduced": "In2PdRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8275721599999999,
"spacegroup": 12
},
{
"id": "jvasp-11532",
"created_at": "2022-09-04T14:36:48.151941Z",
"updated_at": "2022-09-04T14:36:48.151957Z",
"structure_string": "Zn4 Ni2 N4\n1.0\n3.557042 -0.001659 -0.001353\n-1.775922 5.667034 -0.009655\n-1.777499 -1.778300 6.179734\nZn Ni N\n4 2 4\ndirect\n0.149140 0.804037 0.492127 Zn\n0.852772 0.193996 0.509319 Zn\n0.299047 0.393566 0.202571 Zn\n0.702771 0.604486 0.798880 Zn\n0.494431 0.874129 0.112688 Ni\n0.507396 0.123925 0.888767 Ni\n0.554865 0.750855 0.356785 N\n0.447074 0.247214 0.644671 N\n0.294914 0.772374 0.815256 N\n0.706901 0.225674 0.186199 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"N"
],
"chemical_system": "N-Ni-Zn",
"density": 5.803798387442833,
"density_atomic": 0.08033863459228598,
"volume": 124.47311372354577,
"volume_molar": 7.495946116786803,
"formula_full": "Zn4 Ni2 N4",
"formula_reduced": "Zn2NiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7682899399999996,
"spacegroup": 12
},
{
"id": "jvasp-10682",
"created_at": "2022-09-04T14:36:48.198829Z",
"updated_at": "2022-09-04T14:36:48.198856Z",
"structure_string": "Cd2 As2 O7\n1.0\n4.888205 0.004704 -0.608772\n-0.902794 5.517378 -1.457166\n0.003475 0.031903 5.777440\nCd As O\n2 2 7\ndirect\n0.500000 0.301732 0.698267 Cd\n0.500001 0.698267 0.301733 Cd\n0.911692 0.228894 0.228895 As\n0.088309 0.771105 0.771105 As\n0.274544 0.919089 0.605508 O\n0.725458 0.394491 0.080910 O\n0.725457 0.080910 0.394492 O\n0.274543 0.605508 0.919089 O\n0.000000 0.000000 0.000000 O\n0.779786 0.612468 0.612469 O\n0.220214 0.387530 0.387531 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Cd",
"As",
"O"
],
"chemical_system": "As-Cd-O",
"density": 5.176970191088025,
"density_atomic": 0.07046812366927513,
"volume": 156.0989483929756,
"volume_molar": 8.54590763373159,
"formula_full": "Cd2 As2 O7",
"formula_reduced": "Cd2As2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.8302306818181813,
"spacegroup": 12
},
{
"id": "jvasp-47887",
"created_at": "2022-09-04T14:36:48.369546Z",
"updated_at": "2022-09-04T14:36:48.369564Z",
"structure_string": "Li3 Mn1 Co3 O8\n1.0\n5.653947 -0.000513 -0.037638\n2.826529 4.896718 -0.037638\n-0.031457 -3.282983 4.741180\nLi Mn Co O\n3 1 3 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.238926 0.016905 0.777978 O\n0.240433 0.521249 0.784304 O\n0.266818 0.476881 0.210061 O\n0.736944 0.024739 0.784304 O\n0.263056 0.975262 0.215695 O\n0.733182 0.523120 0.789938 O\n0.759567 0.478752 0.215695 O\n0.761074 0.983096 0.222021 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.827008815179589,
"density_atomic": 0.11457816798451587,
"volume": 130.91499247943207,
"volume_molar": 5.255923415369875,
"formula_full": "Li3 Mn1 Co3 O8",
"formula_reduced": "Li3MnCo3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.8230091960919546,
"spacegroup": 12
},
{
"id": "jvasp-104749",
"created_at": "2022-09-04T14:36:48.516673Z",
"updated_at": "2022-09-04T14:36:48.516722Z",
"structure_string": "Ce1 Sm3 S4\n1.0\n6.849398 -0.012121 1.188256\n5.680902 3.826455 1.188256\n-0.023761 -0.007233 6.943380\nCe Sm S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.751508 0.751507 0.749619 Sm\n0.500000 0.500000 0.500000 Sm\n0.248493 0.248493 0.250382 Sm\n0.374227 0.374228 0.874568 S\n0.125393 0.125394 0.624521 S\n0.874607 0.874606 0.375480 S\n0.625773 0.625772 0.125433 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Sm",
"S"
],
"chemical_system": "Ce-S-Sm",
"density": 6.543529849313249,
"density_atomic": 0.043817615346532786,
"volume": 182.57497439629668,
"volume_molar": 13.743652438348683,
"formula_full": "Ce1 Sm3 S4",
"formula_reduced": "CeSm3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.814411515625,
"spacegroup": 12
}
]
}