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=-nelements&page=1529",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1527",
"results": [
{
"id": "jvasp-18564",
"created_at": "2022-09-04T14:36:48.793269Z",
"updated_at": "2022-09-04T14:36:48.793294Z",
"structure_string": "Li1 Mg2 Ge1\n1.0\n4.116987 -0.000000 2.376944\n1.372329 3.881533 2.376944\n0.000000 -0.000000 4.753887\nLi Mg Ge\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Li\n0.250000 0.250000 0.250000 Mg\n0.750001 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ge"
],
"chemical_system": "Ge-Li-Mg",
"density": 2.8020443191079654,
"density_atomic": 0.052653635001701914,
"volume": 75.96816439872971,
"volume_molar": 11.437274482199276,
"formula_full": "Li1 Mg2 Ge1",
"formula_reduced": "LiMg2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105132",
"created_at": "2022-09-04T14:36:48.795084Z",
"updated_at": "2022-09-04T14:36:48.795113Z",
"structure_string": "Ca2 Pb1 Au1\n1.0\n4.592205 -0.000000 2.651311\n1.530735 4.329572 2.651311\n-0.000000 -0.000000 5.302622\nCa Pb Au\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Pb\n0.499999 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"Au"
],
"chemical_system": "Au-Ca-Pb",
"density": 7.628284853793365,
"density_atomic": 0.03794050337785937,
"volume": 105.42822693107038,
"volume_molar": 15.872590566403218,
"formula_full": "Ca2 Pb1 Au1",
"formula_reduced": "Ca2PbAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18803",
"created_at": "2022-09-04T14:36:48.803402Z",
"updated_at": "2022-09-04T14:36:48.803422Z",
"structure_string": "Sc3 In1 N1\n1.0\n4.453984 0.000000 -0.000000\n0.000000 4.453984 -0.000000\n0.000000 0.000000 4.453984\nSc In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"In",
"N"
],
"chemical_system": "In-N-Sc",
"density": 4.955652120743347,
"density_atomic": 0.05658796113329219,
"volume": 88.35801643785268,
"volume_molar": 10.642088245262853,
"formula_full": "Sc3 In1 N1",
"formula_reduced": "Sc3InN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.412345794,
"spacegroup": 221
},
{
"id": "jvasp-102821",
"created_at": "2022-09-04T14:36:48.811143Z",
"updated_at": "2022-09-04T14:36:48.811169Z",
"structure_string": "Ba2 Cu1 N2\n1.0\n3.906707 0.000000 -1.169337\n-0.350952 3.889963 -1.172515\n0.004953 0.011237 7.127293\nBa Cu N\n2 1 2\ndirect\n0.850392 0.850391 0.200782 Ba\n0.149608 0.149609 0.799217 Ba\n0.500000 0.500000 0.499999 Cu\n0.361107 0.361107 0.222214 N\n0.638893 0.638893 0.777785 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"N"
],
"chemical_system": "Ba-Cu-N",
"density": 5.610315780476395,
"density_atomic": 0.046128993845874926,
"volume": 108.39169865065513,
"volume_molar": 13.055001329794944,
"formula_full": "Ba2 Cu1 N2",
"formula_reduced": "Ba2CuN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.899713778,
"spacegroup": 139
},
{
"id": "jvasp-4119",
"created_at": "2022-09-04T14:36:48.830480Z",
"updated_at": "2022-09-04T14:36:48.830504Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.581190 -2.738702 0.000000\n1.581190 2.738702 0.000000\n0.000000 0.000000 4.685848\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.431302 H\n0.333333 0.666667 0.568699 H\n0.666667 0.333333 0.223476 O\n0.333333 0.666667 0.776524 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.3862569118165795,
"density_atomic": 0.12320347966114051,
"volume": 40.583269350443885,
"volume_molar": 4.887963210587337,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5711952099999995,
"spacegroup": 164
},
{
"id": "jvasp-49947",
"created_at": "2022-09-04T14:36:48.835241Z",
"updated_at": "2022-09-04T14:36:48.835268Z",
"structure_string": "Na4 Ir2 O6\n1.0\n5.501519 -0.000626 -0.000098\n-2.740281 4.770483 0.000035\n-0.934253 -1.613788 5.253253\nNa Ir O\n4 2 6\ndirect\n0.500255 0.000143 0.500157 Na\n0.840995 0.659427 0.500158 Na\n0.159510 0.340917 0.500161 Na\n0.000234 0.500169 0.000153 Na\n0.667238 0.833166 0.000162 Ir\n0.333241 0.167181 0.000170 Ir\n0.564114 0.430289 0.792971 O\n0.436358 0.570054 0.207362 O\n0.706464 0.206402 0.208956 O\n0.930359 0.064044 0.792972 O\n0.070122 0.936293 0.207355 O\n0.294021 0.793952 0.791375 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ir",
"O"
],
"chemical_system": "Ir-Na-O",
"density": 6.894417847516769,
"density_atomic": 0.08704385334109685,
"volume": 137.8615438010983,
"volume_molar": 6.918513518009329,
"formula_full": "Na4 Ir2 O6",
"formula_reduced": "Na2IrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6992999333333332,
"spacegroup": 12
},
{
"id": "jvasp-105289",
"created_at": "2022-09-04T14:36:48.837076Z",
"updated_at": "2022-09-04T14:36:48.837103Z",
"structure_string": "Pr3 Cd3 Au3\n1.0\n7.939734 -0.000000 0.000000\n-3.969867 6.876012 0.000000\n0.000000 -0.000000 4.077921\nPr Cd Au\n3 3 3\ndirect\n0.595842 0.000000 -0.000000 Pr\n-0.000000 0.595842 -0.000000 Pr\n0.404157 0.404157 -0.000000 Pr\n0.257003 0.000000 0.500000 Cd\n-0.000000 0.257003 0.500000 Cd\n0.742996 0.742997 0.500000 Cd\n0.333333 0.666666 0.500000 Au\n0.666666 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Pr",
"density": 10.075733139156226,
"density_atomic": 0.04042603266875009,
"volume": 222.6288212287804,
"volume_molar": 14.896689985251019,
"formula_full": "Pr3 Cd3 Au3",
"formula_reduced": "PrCdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-107183",
"created_at": "2022-09-04T14:36:48.838099Z",
"updated_at": "2022-09-04T14:36:48.838130Z",
"structure_string": "Li2 Tl1 Cd1\n1.0\n4.149285 -0.000000 2.395591\n1.383095 3.911983 2.395591\n0.000000 0.000000 4.791181\nLi Tl Cd\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Li\n0.749998 0.749999 0.750001 Li\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Cd"
],
"chemical_system": "Cd-Li-Tl",
"density": 7.060563517522246,
"density_atomic": 0.05143363145424525,
"volume": 77.77012602266578,
"volume_molar": 11.708566145785808,
"formula_full": "Li2 Tl1 Cd1",
"formula_reduced": "Li2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42181",
"created_at": "2022-09-04T14:36:48.765208Z",
"updated_at": "2022-09-04T14:36:48.765224Z",
"structure_string": "Na6 V2 O8\n1.0\n5.557682 0.000000 0.000000\n0.000000 6.114351 0.000000\n0.000000 0.000000 7.072385\nNa V O\n6 2 8\ndirect\n0.511989 0.844656 0.000000 Na\n0.009789 0.674214 0.244634 Na\n0.509789 0.325786 0.255367 Na\n0.011989 0.155344 0.500000 Na\n0.509789 0.325786 0.744634 Na\n0.009789 0.674214 0.755367 Na\n0.999641 0.176506 0.000000 V\n0.499642 0.823494 0.500000 V\n0.097415 0.906139 0.000000 O\n0.688703 0.180039 0.000000 O\n0.098970 0.310457 0.203314 O\n0.598970 0.689543 0.296686 O\n0.188703 0.819961 0.500000 O\n0.597415 0.093861 0.500000 O\n0.598970 0.689543 0.703314 O\n0.098970 0.310457 0.796686 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.5413865286653716,
"density_atomic": 0.0665748242235648,
"volume": 240.3310889153898,
"volume_molar": 9.045672790328457,
"formula_full": "Na6 V2 O8",
"formula_reduced": "Na3VO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.43848815,
"spacegroup": 31
},
{
"id": "jvasp-7744",
"created_at": "2022-09-04T14:36:48.779217Z",
"updated_at": "2022-09-04T14:36:48.779248Z",
"structure_string": "Mn1 C1 N2\n1.0\n3.165868 0.015423 4.095450\n1.409329 2.834916 4.095450\n0.024756 0.015423 5.176371\nMn C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.499999 C\n0.414331 0.414329 0.414329 N\n0.585672 0.585670 0.585669 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"C",
"N"
],
"chemical_system": "C-Mn-N",
"density": 3.431853591838184,
"density_atomic": 0.0870540799384986,
"volume": 45.94844954798091,
"volume_molar": 6.917700772042484,
"formula_full": "Mn1 C1 N2",
"formula_reduced": "MnCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.130405935344827,
"spacegroup": 166
},
{
"id": "jvasp-48617",
"created_at": "2022-09-04T14:36:48.784486Z",
"updated_at": "2022-09-04T14:36:48.784503Z",
"structure_string": "Li6 Mn2 F10\n1.0\n5.049349 0.116840 0.027942\n-2.159727 5.152979 -0.030903\n-2.382490 -2.032924 7.109661\nLi Mn F\n6 2 10\ndirect\n0.682733 0.455785 0.908867 Li\n0.330645 0.973414 0.697873 Li\n0.939060 0.564113 0.297480 Li\n0.060940 0.435888 0.702520 Li\n0.669355 0.026588 0.302128 Li\n0.317267 0.544216 0.091133 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.252032 0.249822 0.860912 F\n0.365893 0.737997 0.331365 F\n0.119803 0.701719 0.926539 F\n0.446274 0.252274 0.239425 F\n0.954899 0.716199 0.537676 F\n0.634108 0.262004 0.668635 F\n0.747968 0.750179 0.139088 F\n0.045101 0.283802 0.462324 F\n0.880197 0.298282 0.073461 F\n0.553726 0.747727 0.760575 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.033529035320146,
"density_atomic": 0.09628820048445438,
"volume": 186.93879322114944,
"volume_molar": 6.254287368234977,
"formula_full": "Li6 Mn2 F10",
"formula_reduced": "Li3MnF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.4160654059865899,
"spacegroup": 2
},
{
"id": "jvasp-100290",
"created_at": "2022-09-04T14:36:48.796399Z",
"updated_at": "2022-09-04T14:36:48.796421Z",
"structure_string": "Li1 Ca2 Ge1\n1.0\n4.457366 -0.000000 2.573461\n1.485789 4.202445 2.573461\n0.000000 0.000000 5.146923\nLi Ca Ge\n1 2 1\ndirect\n0.500000 0.500001 0.499999 Li\n0.250000 0.250000 0.249999 Ca\n0.750001 0.750001 0.749998 Ca\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge-Li",
"density": 2.751228209469727,
"density_atomic": 0.041488906254743996,
"volume": 96.4113147606205,
"volume_molar": 14.515062708628058,
"formula_full": "Li1 Ca2 Ge1",
"formula_reduced": "LiCa2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1567343250000001,
"spacegroup": 225
}
]
}