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=115",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=113",
"results": [
{
"id": "jvasp-89949",
"created_at": "2022-09-04T14:35:44.481876Z",
"updated_at": "2022-09-04T14:35:44.481896Z",
"structure_string": "Rb2 Ni3 S4\n1.0\n-5.005765 0.000000 -2.951543\n5.005765 0.000000 -2.951543\n0.000000 -6.707309 2.951543\nRb Ni S\n2 3 4\ndirect\n0.661695 0.661695 0.323392 Rb\n0.338305 0.338305 0.676608 Rb\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.499999 0.000000 Ni\n0.499999 -0.000000 0.000000 Ni\n0.724460 0.060086 0.784546 S\n0.939913 0.275540 0.215454 S\n0.060086 0.724460 0.784546 S\n0.275540 0.939913 0.215454 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"S"
],
"chemical_system": "Ni-Rb-S",
"density": 3.981960217857084,
"density_atomic": 0.0454092811938843,
"volume": 198.19736766086743,
"volume_molar": 13.261916070169061,
"formula_full": "Rb2 Ni3 S4",
"formula_reduced": "Rb2Ni3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.0686385777777776,
"spacegroup": 69
},
{
"id": "jvasp-64313",
"created_at": "2022-09-04T14:35:44.490331Z",
"updated_at": "2022-09-04T14:35:44.490357Z",
"structure_string": "Ba4 V1 Br1\n1.0\n0.000000 5.039870 5.039870\n5.039870 0.000000 5.039870\n5.039870 5.039870 0.000000\nBa V Br\n4 1 1\ndirect\n0.123626 0.625458 0.625458 Ba\n0.625458 0.625458 0.625458 Ba\n0.625458 0.123626 0.625458 Ba\n0.625458 0.625458 0.123626 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Br"
],
"chemical_system": "Ba-Br-V",
"density": 4.411314650390601,
"density_atomic": 0.02343490794694099,
"volume": 256.0283152630516,
"volume_molar": 25.69730921766255,
"formula_full": "Ba4 V1 Br1",
"formula_reduced": "Ba4VBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7339270308333333,
"spacegroup": 216
},
{
"id": "jvasp-74479",
"created_at": "2022-09-04T14:35:44.494725Z",
"updated_at": "2022-09-04T14:35:44.494750Z",
"structure_string": "Be2 Fe1 Se1\n1.0\n3.068537 0.000000 0.000000\n0.000000 3.068537 0.000000\n0.000000 0.000000 4.671252\nBe Fe Se\n2 1 1\ndirect\n0.000000 0.000000 0.776337 Be\n0.000000 0.000000 0.223662 Be\n0.500001 0.500001 0.000000 Fe\n0.500001 0.500001 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Se"
],
"chemical_system": "Be-Fe-Se",
"density": 5.769788288491958,
"density_atomic": 0.09094188794950608,
"volume": 43.98413195711234,
"volume_molar": 6.6219658463036195,
"formula_full": "Be2 Fe1 Se1",
"formula_reduced": "Be2FeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1528827666666666,
"spacegroup": 123
},
{
"id": "jvasp-86190",
"created_at": "2022-09-04T14:35:44.495168Z",
"updated_at": "2022-09-04T14:35:44.495186Z",
"structure_string": "Na4 Be2 H8\n1.0\n4.981583 0.000000 0.000000\n0.000000 4.962561 -0.853228\n0.000000 -0.168087 6.689008\nNa Be H\n4 2 8\ndirect\n0.250000 0.722773 0.028847 Na\n0.750000 0.277226 0.971152 Na\n0.750000 0.248127 0.463103 Na\n0.250000 0.751873 0.536897 Na\n0.250000 0.280148 0.217964 Be\n0.750000 0.719851 0.782036 Be\n0.750000 0.930756 0.660899 H\n0.750000 0.825770 0.998677 H\n0.520243 0.545934 0.735795 H\n0.250000 0.069243 0.339100 H\n0.979757 0.545934 0.735795 H\n0.020243 0.454065 0.264205 H\n0.479757 0.454065 0.264205 H\n0.250000 0.174229 0.001323 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Be",
"H"
],
"chemical_system": "Be-H-Na",
"density": 1.1905547964187486,
"density_atomic": 0.08503026169731487,
"volume": 164.64726463898558,
"volume_molar": 7.082350024321013,
"formula_full": "Na4 Be2 H8",
"formula_reduced": "Na2BeH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6997020142857142,
"spacegroup": 11
},
{
"id": "jvasp-71358",
"created_at": "2022-09-04T14:35:44.495584Z",
"updated_at": "2022-09-04T14:35:44.495602Z",
"structure_string": "Mn1 Be1 Sn2\n1.0\n3.071765 0.000000 -0.000000\n0.000000 3.071765 0.000000\n-0.000000 0.000000 8.128878\nMn Be Sn\n1 1 2\ndirect\n0.499999 0.499999 0.687686 Mn\n0.000000 0.000000 0.563742 Be\n0.000000 0.000000 0.924904 Sn\n0.499999 0.499999 0.323669 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Sn"
],
"chemical_system": "Be-Mn-Sn",
"density": 6.5244342922802865,
"density_atomic": 0.052149891636191416,
"volume": 76.70198104925777,
"volume_molar": 11.54775316123707,
"formula_full": "Mn1 Be1 Sn2",
"formula_reduced": "MnBeSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.802664185344828,
"spacegroup": 99
},
{
"id": "jvasp-106076",
"created_at": "2022-09-04T14:35:44.497156Z",
"updated_at": "2022-09-04T14:35:44.497173Z",
"structure_string": "Fe1 Co1 As4\n1.0\n2.999554 0.000000 0.000000\n0.000000 5.242678 0.006740\n0.000000 0.001047 5.973093\nFe Co As\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500000 0.500000 Co\n0.499999 0.316843 0.136996 As\n0.499999 0.683157 0.863004 As\n0.000000 0.817083 0.361942 As\n0.000000 0.182918 0.638057 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Co",
"As"
],
"chemical_system": "As-Co-Fe",
"density": 7.327021851883693,
"density_atomic": 0.06387666038237294,
"volume": 93.93102213051401,
"volume_molar": 9.427763950010508,
"formula_full": "Fe1 Co1 As4",
"formula_reduced": "FeCoAs4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.912347233333333,
"spacegroup": 10
},
{
"id": "jvasp-11964",
"created_at": "2022-09-04T14:35:44.498735Z",
"updated_at": "2022-09-04T14:35:44.498761Z",
"structure_string": "Nb20 Al10\n1.0\n5.206993 0.000000 0.000000\n0.000000 10.008033 0.000000\n0.000000 0.000000 10.008033\nNb Al\n20 10\ndirect\n0.000000 0.464787 0.127944 Nb\n0.247711 0.318308 0.681692 Nb\n0.247711 0.681692 0.318308 Nb\n0.252289 0.818308 0.818308 Nb\n0.752289 0.681692 0.318308 Nb\n0.752289 0.318308 0.681692 Nb\n0.252289 0.181692 0.181692 Nb\n0.000000 0.872056 0.535212 Nb\n0.000000 0.127944 0.464787 Nb\n0.500000 0.035212 0.627944 Nb\n0.500000 0.964787 0.372056 Nb\n0.000000 0.535212 0.872056 Nb\n0.500000 0.627944 0.035212 Nb\n0.500000 0.372056 0.964787 Nb\n0.747711 0.818308 0.818308 Nb\n0.000000 0.603715 0.603715 Nb\n0.500000 0.896284 0.103716 Nb\n0.500000 0.103716 0.896284 Nb\n0.000000 0.396284 0.396284 Nb\n0.747711 0.181692 0.181692 Nb\n0.000000 0.738383 0.066881 Al\n0.000000 0.261616 0.933119 Al\n0.500000 0.566881 0.761616 Al\n0.500000 0.433119 0.238383 Al\n0.000000 0.066881 0.738383 Al\n0.500000 0.761616 0.566881 Al\n0.500000 0.238383 0.433119 Al\n0.000000 0.933119 0.261616 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Nb",
"Al"
],
"chemical_system": "Al-Nb",
"density": 6.77523922089062,
"density_atomic": 0.05752237426483778,
"volume": 521.5361914978946,
"volume_molar": 10.469214522115456,
"formula_full": "Nb20 Al10",
"formula_reduced": "Nb2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 3.656830533333334,
"spacegroup": 136
},
{
"id": "jvasp-74617",
"created_at": "2022-09-04T14:35:44.500586Z",
"updated_at": "2022-09-04T14:35:44.500607Z",
"structure_string": "Ca1 Hf1 Be2\n1.0\n-1.957925 1.957925 4.588545\n1.957925 -1.957925 4.588545\n1.957925 1.957925 -4.588545\nCa Hf Be\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ca\n0.749999 0.250000 0.499999 Hf\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Be"
],
"chemical_system": "Be-Ca-Hf",
"density": 5.58370841566261,
"density_atomic": 0.05685031838734611,
"volume": 70.36020401409625,
"volume_molar": 10.592976311880117,
"formula_full": "Ca1 Hf1 Be2",
"formula_reduced": "CaHfBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.326548905,
"spacegroup": 119
},
{
"id": "jvasp-70773",
"created_at": "2022-09-04T14:35:44.502907Z",
"updated_at": "2022-09-04T14:35:44.502924Z",
"structure_string": "K1 Na1 Be1\n1.0\n2.594203 -4.493291 -0.000000\n2.594203 4.493291 0.000000\n-0.000000 -0.000000 4.377044\nK Na Be\n1 1 1\ndirect\n0.666666 0.333332 0.666648 K\n0.333332 0.666666 0.166918 Na\n-0.000000 0.000000 0.166434 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Na",
"Be"
],
"chemical_system": "Be-K-Na",
"density": 1.1570198824227806,
"density_atomic": 0.02939962857108711,
"volume": 102.04210548939834,
"volume_molar": 20.48373075679752,
"formula_full": "K1 Na1 Be1",
"formula_reduced": "KNaBe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3143491833333331,
"spacegroup": 187
},
{
"id": "jvasp-42674",
"created_at": "2022-09-04T14:35:44.502912Z",
"updated_at": "2022-09-04T14:35:44.502938Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.809491 0.000142 -0.074341\n0.000004 5.848272 -0.000194\n-0.835215 -2.924294 9.594422\nFe O F\n8 6 10\ndirect\n0.491520 0.883065 0.246132 Fe\n0.492394 0.601186 0.745907 Fe\n0.492441 0.144688 0.745848 Fe\n0.491426 0.363043 0.246165 Fe\n0.005146 0.501055 0.002365 Fe\n0.986788 0.246586 0.493200 Fe\n0.010775 0.002341 0.004279 Fe\n0.029854 0.758193 0.516414 Fe\n0.690828 0.173367 0.346765 O\n0.702685 0.424659 0.849379 O\n0.285946 0.321483 0.642905 O\n0.320951 0.831122 0.662260 O\n0.312207 0.577737 0.155514 O\n0.299472 0.074761 0.149615 O\n0.794867 0.047250 0.597982 F\n0.193831 0.945490 0.398406 F\n0.193818 0.452896 0.398401 F\n0.203499 0.699880 0.899740 F\n0.203692 0.199849 0.899646 F\n0.702725 0.924487 0.848932 F\n0.700696 0.676158 0.352305 F\n0.794861 0.550722 0.597986 F\n0.799702 0.299628 0.099986 F\n0.799875 0.800353 0.099874 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.5148458153007285,
"density_atomic": 0.08905430353705576,
"volume": 269.4984862804921,
"volume_molar": 6.762324245783551,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.907441159375,
"spacegroup": 8
},
{
"id": "jvasp-64862",
"created_at": "2022-09-04T14:35:44.503988Z",
"updated_at": "2022-09-04T14:35:44.504018Z",
"structure_string": "Ba4 Tl1 Zn1\n1.0\n0.000000 5.073173 5.073173\n5.073173 -0.000000 5.073173\n5.073173 5.073173 0.000000\nBa Tl Zn\n4 1 1\ndirect\n0.126026 0.624658 0.624658 Ba\n0.624658 0.624658 0.624658 Ba\n0.624658 0.126026 0.624658 Ba\n0.624658 0.624658 0.126026 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Zn"
],
"chemical_system": "Ba-Tl-Zn",
"density": 5.20855398120386,
"density_atomic": 0.022976413444146717,
"volume": 261.1373622164912,
"volume_molar": 26.210099216046935,
"formula_full": "Ba4 Tl1 Zn1",
"formula_reduced": "Ba4TlZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-86164",
"created_at": "2022-09-04T14:35:44.504127Z",
"updated_at": "2022-09-04T14:35:44.504145Z",
"structure_string": "Be12 W1\n1.0\n3.896653 0.000000 1.588643\n1.948327 5.094977 0.794321\n0.024847 0.000000 5.512268\nBe W\n12 1\ndirect\n0.000001 0.649350 0.350650 Be\n0.000000 0.500000 -0.000000 Be\n0.649350 0.350651 0.350650 Be\n0.500000 0.211337 0.788663 Be\n0.000001 0.350651 0.649350 Be\n0.500000 -0.000000 0.500000 Be\n0.350651 0.649350 0.649349 Be\n0.288664 0.211337 0.211336 Be\n0.500000 0.788664 0.211336 Be\n0.000000 -0.000000 0.500000 Be\n0.711337 0.788664 0.788663 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.000000 W\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"W"
],
"chemical_system": "Be-W",
"density": 4.438599482702833,
"density_atomic": 0.11900848066406455,
"volume": 109.23591266320099,
"volume_molar": 5.060261862345098,
"formula_full": "Be12 W1",
"formula_reduced": "Be12W",
"formula_anonymous": "AB12",
"energy_above_hull": 2.822744092307692,
"spacegroup": 139
}
]
}