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=energy_above_hull&page=1585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1583",
"results": [
{
"id": "jvasp-105199",
"created_at": "2022-09-04T14:36:47.815655Z",
"updated_at": "2022-09-04T14:36:47.815684Z",
"structure_string": "Mg2 Ir1 Pd1\n1.0\n3.834523 0.000000 2.213863\n1.278174 3.615223 2.213863\n-0.000000 -0.000000 4.427726\nMg Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.750001 Mg\n0.499999 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ir",
"Pd"
],
"chemical_system": "Ir-Mg-Pd",
"density": 9.394213450738798,
"density_atomic": 0.0651677632917029,
"volume": 61.38004126511545,
"volume_molar": 9.240981208828343,
"formula_full": "Mg2 Ir1 Pd1",
"formula_reduced": "Mg2IrPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9943312249999998,
"spacegroup": 225
},
{
"id": "jvasp-11380",
"created_at": "2022-09-04T14:37:00.755357Z",
"updated_at": "2022-09-04T14:37:00.755374Z",
"structure_string": "K4 V2 Cu2 Se8\n1.0\n5.483468 0.000000 1.315771\n2.741734 6.604754 0.657885\n0.023759 0.000000 11.985033\nK V Cu Se\n4 2 2 8\ndirect\n0.944385 0.750000 0.111230 K\n0.305615 0.750000 0.388769 K\n0.055615 0.250000 0.888769 K\n0.694385 0.250000 0.611230 K\n0.125000 0.750000 0.750000 V\n0.875000 0.250000 0.250000 V\n0.625000 0.750000 0.749999 Cu\n0.375000 0.250000 0.250000 Cu\n0.267015 0.045297 0.134617 Se\n0.946930 0.454703 0.365382 Se\n0.687689 0.045297 0.365382 Se\n0.598368 0.454703 0.134617 Se\n0.732985 0.954703 0.865382 Se\n0.053071 0.545296 0.634617 Se\n0.312312 0.954703 0.634617 Se\n0.401633 0.545296 0.865382 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"V",
"Cu",
"Se"
],
"chemical_system": "Cu-K-Se-V",
"density": 3.8926564176715748,
"density_atomic": 0.03687868462578143,
"volume": 433.8549534061906,
"volume_molar": 16.329597492720758,
"formula_full": "K4 V2 Cu2 Se8",
"formula_reduced": "K2VCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9945180145833332,
"spacegroup": 70
},
{
"id": "jvasp-40193",
"created_at": "2022-09-04T14:38:03.553007Z",
"updated_at": "2022-09-04T14:38:03.553028Z",
"structure_string": "Ca2 Sn1 S4\n1.0\n3.515815 -3.515815 0.000000\n3.515815 3.515815 0.000000\n-3.515815 0.000000 7.079173\nCa Sn S\n2 1 4\ndirect\n0.364775 0.364775 0.729549 Ca\n0.635224 0.635224 0.270450 Ca\n0.000000 0.000000 0.000000 Sn\n0.499999 0.000000 0.000000 S\n0.000000 0.499999 0.000000 S\n0.176658 0.176658 0.353314 S\n0.823341 0.823341 0.646685 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.10384203164137,
"density_atomic": 0.039997559143772524,
"volume": 175.01067939766708,
"volume_molar": 15.056270654799759,
"formula_full": "Ca2 Sn1 S4",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9945246485714284,
"spacegroup": 139
},
{
"id": "jvasp-40910",
"created_at": "2022-09-04T14:37:34.867362Z",
"updated_at": "2022-09-04T14:37:34.867382Z",
"structure_string": "Pm2 Cd1 Si1\n1.0\n0.000000 3.694569 3.694569\n3.694569 0.000000 3.694569\n3.694569 3.694569 0.000000\nPm Cd Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Cd\n0.749999 0.749999 0.749999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Si"
],
"chemical_system": "Cd-Pm-Si",
"density": 7.087570324354815,
"density_atomic": 0.039658716067994655,
"volume": 100.86055214551125,
"volume_molar": 15.184911053789719,
"formula_full": "Pm2 Cd1 Si1",
"formula_reduced": "Pm2CdSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9945451749999998,
"spacegroup": 225
},
{
"id": "jvasp-10083",
"created_at": "2022-09-04T14:38:09.046361Z",
"updated_at": "2022-09-04T14:38:09.046370Z",
"structure_string": "Li4 Al4 Se8\n1.0\n6.573855 0.000000 0.000000\n0.000000 6.871569 0.000000\n0.000000 0.000000 8.242735\nLi Al Se\n4 4 8\ndirect\n0.002291 0.586778 0.877690 Li\n0.502292 0.413222 0.122309 Li\n0.502292 0.913222 0.377690 Li\n0.002291 0.086778 0.622309 Li\n0.999595 0.574798 0.374075 Al\n0.499595 0.425202 0.625924 Al\n0.499595 0.925202 0.874075 Al\n0.999595 0.074798 0.125925 Al\n0.115871 0.907987 0.365985 Se\n0.615872 0.092013 0.634015 Se\n0.615872 0.592013 0.865984 Se\n0.115871 0.407987 0.134015 Se\n0.632043 0.567233 0.381529 Se\n0.132043 0.432767 0.618470 Se\n0.132043 0.932767 0.881529 Se\n0.632043 0.067233 0.118470 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Al",
"Se"
],
"chemical_system": "Al-Li-Se",
"density": 3.4222098062978406,
"density_atomic": 0.042970718217758136,
"volume": 372.34658073245373,
"volume_molar": 14.014522004222126,
"formula_full": "Li4 Al4 Se8",
"formula_reduced": "LiAlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9948998833333332,
"spacegroup": 33
},
{
"id": "jvasp-80055",
"created_at": "2022-09-04T14:37:06.883820Z",
"updated_at": "2022-09-04T14:37:06.883847Z",
"structure_string": "Al1 Cu1 Pd2\n1.0\n0.000005 3.036596 3.036596\n3.036603 0.000006 3.036596\n3.036602 3.036594 0.000007\nAl Cu Pd\n1 1 2\ndirect\n0.250001 0.250000 0.249996 Al\n0.750004 0.750007 0.750016 Cu\n0.000002 0.999999 0.999989 Pd\n0.499997 0.499994 0.499995 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Pd"
],
"chemical_system": "Al-Cu-Pd",
"density": 8.995548790095354,
"density_atomic": 0.07142815779977162,
"volume": 56.00032428685694,
"volume_molar": 8.431045886527478,
"formula_full": "Al1 Cu1 Pd2",
"formula_reduced": "AlCuPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9949586625,
"spacegroup": 225
},
{
"id": "jvasp-53640",
"created_at": "2022-09-04T14:37:17.570627Z",
"updated_at": "2022-09-04T14:37:17.570647Z",
"structure_string": "Y1 Cu1 Se2\n1.0\n2.046568 -3.544759 -0.000000\n2.046568 3.544759 0.000000\n-0.000000 0.000000 6.427353\nY Cu Se\n1 1 2\ndirect\n0.000000 0.000000 0.511431 Y\n0.666668 0.333334 0.126333 Cu\n0.333334 0.666668 0.240855 Se\n0.666668 0.333334 0.747379 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Y",
"density": 5.526578980474409,
"density_atomic": 0.0428928545590403,
"volume": 93.25562593401565,
"volume_molar": 14.039962650913719,
"formula_full": "Y1 Cu1 Se2",
"formula_reduced": "YCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9949931583333332,
"spacegroup": 156
},
{
"id": "jvasp-68548",
"created_at": "2022-09-04T14:36:01.161213Z",
"updated_at": "2022-09-04T14:36:01.161231Z",
"structure_string": "Be1 Sn2 Ge1\n1.0\n-2.032446 2.032446 5.281089\n2.032446 -2.032446 5.281089\n2.032446 2.032446 -5.281089\nBe Sn Ge\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Sn\n0.250000 0.750001 0.500001 Sn\n0.750001 0.250000 0.500001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Ge"
],
"chemical_system": "Be-Ge-Sn",
"density": 6.071787036295415,
"density_atomic": 0.04583935331592192,
"volume": 87.26126593523807,
"volume_molar": 13.137490658944918,
"formula_full": "Be1 Sn2 Ge1",
"formula_reduced": "BeSn2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9950188625,
"spacegroup": 119
},
{
"id": "jvasp-116408",
"created_at": "2022-09-04T14:38:42.327138Z",
"updated_at": "2022-09-04T14:38:42.327174Z",
"structure_string": "Zn1 Si1 O1\n1.0\n2.777158 -0.000000 0.000000\n-0.000000 2.777158 -0.000000\n0.000000 -0.000000 6.217846\nZn Si O\n1 1 1\ndirect\n0.000000 0.000000 0.600348 Zn\n0.000000 0.000000 0.042377 Si\n0.000000 0.000000 0.297335 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 3.7913849659418943,
"density_atomic": 0.06255760535008864,
"volume": 47.95579982979238,
"volume_molar": 9.626552561113126,
"formula_full": "Zn1 Si1 O1",
"formula_reduced": "ZnSiO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9951341666666664,
"spacegroup": 99
},
{
"id": "jvasp-64559",
"created_at": "2022-09-04T14:36:05.335487Z",
"updated_at": "2022-09-04T14:36:05.335506Z",
"structure_string": "Ba4 Zr1 Sb1\n1.0\n0.000000 4.986411 4.986411\n4.986411 0.000000 4.986411\n4.986411 4.986411 -0.000000\nBa Zr Sb\n4 1 1\ndirect\n0.127157 0.624280 0.624280 Ba\n0.624280 0.624280 0.624280 Ba\n0.624280 0.127157 0.624280 Ba\n0.624280 0.624280 0.127157 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Sb"
],
"chemical_system": "Ba-Sb-Zr",
"density": 5.1047708072021285,
"density_atomic": 0.02419675008458729,
"volume": 247.96718480891556,
"volume_molar": 24.88822151300372,
"formula_full": "Ba4 Zr1 Sb1",
"formula_reduced": "Ba4ZrSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.99514908,
"spacegroup": 216
},
{
"id": "jvasp-52232",
"created_at": "2022-09-04T14:37:01.278784Z",
"updated_at": "2022-09-04T14:37:01.278813Z",
"structure_string": "Li3 Cu4 O4\n1.0\n1.115772 3.466361 -0.000048\n-5.202421 3.587537 0.074278\n-0.628648 -1.710510 6.051423\nLi Cu O\n3 4 4\ndirect\n0.741842 0.861385 0.845113 Li\n0.355658 0.894338 0.105662 Li\n0.741841 0.154888 0.138616 Li\n0.088822 0.814874 0.492472 Cu\n0.425565 0.473962 0.825348 Cu\n0.088822 0.507528 0.185127 Cu\n0.425564 0.174652 0.526037 Cu\n0.260105 0.774634 0.794895 O\n0.934884 0.815126 0.184875 O\n0.575058 0.174801 0.825198 O\n0.260104 0.205105 0.225366 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 4.222064521007687,
"density_atomic": 0.08250169330241124,
"volume": 133.33059673914,
"volume_molar": 7.299414737980891,
"formula_full": "Li3 Cu4 O4",
"formula_reduced": "Li3(CuO)4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 0.9951605272727272,
"spacegroup": 44
},
{
"id": "jvasp-101111",
"created_at": "2022-09-04T14:36:37.601899Z",
"updated_at": "2022-09-04T14:36:37.601928Z",
"structure_string": "Sr1 Pb3 S4\n1.0\n4.209426 0.006130 13.442073\n2.060603 3.670589 13.442073\n0.010453 0.006130 14.085755\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249706 0.249706 0.249706 Pb\n0.499999 0.500000 0.500000 Pb\n0.750293 0.750294 0.750294 Pb\n0.125165 0.125165 0.125165 S\n0.374486 0.374487 0.374487 S\n0.625513 0.625513 0.625513 S\n0.874834 0.874835 0.874835 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sr",
"density": 6.4154049185443585,
"density_atomic": 0.03690545108202867,
"volume": 216.7701454784724,
"volume_molar": 16.31775410796298,
"formula_full": "Sr1 Pb3 S4",
"formula_reduced": "SrPb3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.99519859625,
"spacegroup": 166
}
]
}