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=-density&page=4125",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4123",
"results": [
{
"id": "jvasp-21363",
"created_at": "2022-09-04T14:36:49.701074Z",
"updated_at": "2022-09-04T14:36:49.701084Z",
"structure_string": "Ti2 P4 O14\n1.0\n6.375687 -0.275954 0.147365\n-0.364824 -6.467639 0.180537\n-3.027838 0.365166 -6.256163\nTi P O\n2 4 14\ndirect\n0.096190 0.342312 0.202153 Ti\n0.903811 0.657687 0.797847 Ti\n0.321213 0.630194 0.659053 P\n0.678788 0.369805 0.340947 P\n0.223834 0.856610 0.283842 P\n0.776167 0.143389 0.716158 P\n0.942400 0.330566 0.875009 O\n0.082437 0.057720 0.219888 O\n0.229098 0.438328 0.497941 O\n0.785413 0.182627 0.492344 O\n0.589872 0.649803 0.776680 O\n0.057601 0.669433 0.124991 O\n0.917563 0.942279 0.780111 O\n0.214588 0.817372 0.507656 O\n0.780949 0.363302 0.182375 O\n0.459604 0.861645 0.297055 O\n0.540397 0.138354 0.702945 O\n0.410129 0.350196 0.223319 O\n0.219052 0.636697 0.817625 O\n0.770902 0.561671 0.502059 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 2.883937980000305,
"density_atomic": 0.07829879219090691,
"volume": 255.43178177303562,
"volume_molar": 7.691230722074114,
"formula_full": "Ti2 P4 O14",
"formula_reduced": "TiP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9446973833333328,
"spacegroup": 2
},
{
"id": "jvasp-122120",
"created_at": "2022-09-04T14:38:55.401783Z",
"updated_at": "2022-09-04T14:38:55.401809Z",
"structure_string": "K2 Sb2 Cl12\n1.0\n6.614146 0.098111 1.116827\n3.609127 5.543533 1.116827\n-0.127773 -0.070511 11.820453\nK Sb Cl\n2 2 12\ndirect\n0.919220 0.080781 0.750000 K\n0.080782 0.919219 0.250000 K\n0.500001 -0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.470280 0.679751 0.611571 Cl\n0.529722 0.320248 0.388429 Cl\n0.320250 0.529721 0.888429 Cl\n0.679752 0.470279 0.111571 Cl\n0.387875 0.203550 0.673602 Cl\n0.612127 0.796450 0.326398 Cl\n0.796452 0.612125 0.826398 Cl\n0.203550 0.387874 0.173602 Cl\n0.784600 0.926302 0.031848 Cl\n0.215401 0.073697 0.968153 Cl\n0.073697 0.215401 0.468153 Cl\n0.926305 0.784599 0.531848 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sb",
"Cl"
],
"chemical_system": "Cl-K-Sb",
"density": 2.883725558398508,
"density_atomic": 0.03718908556433971,
"volume": 430.233756953203,
"volume_molar": 16.193301525473856,
"formula_full": "K2 Sb2 Cl12",
"formula_reduced": "KSbCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": null,
"spacegroup": 15
},
{
"id": "jvasp-69852",
"created_at": "2022-09-04T14:36:00.758003Z",
"updated_at": "2022-09-04T14:36:00.758020Z",
"structure_string": "Na1 Be2 Ga1\n1.0\n3.132523 0.000000 -0.000000\n0.000000 3.132523 0.000000\n0.000000 0.000000 6.498687\nNa Be Ga\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.828435 Be\n0.000000 0.000000 0.171565 Be\n0.500000 0.500000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Na",
"density": 2.8835548499863126,
"density_atomic": 0.06272574587204194,
"volume": 63.769668170384826,
"volume_molar": 9.600747948513728,
"formula_full": "Na1 Be2 Ga1",
"formula_reduced": "NaBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.75709088125,
"spacegroup": 123
},
{
"id": "jvasp-105203",
"created_at": "2022-09-04T14:36:48.463619Z",
"updated_at": "2022-09-04T14:36:48.463645Z",
"structure_string": "Mg5 In1\n1.0\n8.250938 0.058391 0.000000\n-7.636949 3.123842 0.000000\n0.000000 0.000000 5.190859\nMg In\n5 1\ndirect\n-0.000094 0.000094 0.000000 Mg\n0.332790 0.667209 -0.000000 Mg\n0.665452 0.334547 -0.000000 Mg\n0.445685 0.554314 0.500000 Mg\n0.111927 0.888072 0.500000 Mg\n0.777577 0.222423 0.500000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 2.8834386577948075,
"density_atomic": 0.0440828968306231,
"volume": 136.1072078147091,
"volume_molar": 13.660946065179171,
"formula_full": "Mg5 In1",
"formula_reduced": "Mg5In",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0014733333333333,
"spacegroup": 38
},
{
"id": "jvasp-79753",
"created_at": "2022-09-04T14:37:11.374268Z",
"updated_at": "2022-09-04T14:37:11.374289Z",
"structure_string": "Mg2 Ga2\n1.0\n4.794630 -0.000000 -0.000000\n-2.397314 4.152271 0.000000\n-0.000000 -0.000000 5.440267\nMg Ga\n2 2\ndirect\n0.666667 0.333333 0.562500 Mg\n0.333334 0.666667 0.062500 Mg\n0.666667 0.333333 0.062500 Ga\n0.333334 0.666667 0.562500 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.8832034462228204,
"density_atomic": 0.03693167354164976,
"volume": 108.30811648676016,
"volume_molar": 16.306168073343656,
"formula_full": "Mg2 Ga2",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.3848655000000001,
"spacegroup": 194
},
{
"id": "jvasp-10531",
"created_at": "2022-09-04T14:37:19.532600Z",
"updated_at": "2022-09-04T14:37:19.532636Z",
"structure_string": "Na6 Ag2 S4\n1.0\n5.840973 -0.000000 -2.597436\n-1.356292 6.089687 -3.049957\n-0.014243 -0.039183 7.834121\nNa Ag S\n6 2 4\ndirect\n0.500000 0.750000 -0.000000 Na\n0.500000 0.250000 -0.000000 Na\n0.768392 0.518393 0.536784 Na\n0.231609 0.981609 0.463216 Na\n0.231608 0.481608 0.463216 Na\n0.768392 0.018392 0.536784 Na\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.140188 0.368112 0.736222 S\n0.403965 0.131889 0.263778 S\n0.596035 0.868112 0.736222 S\n0.859813 0.631889 0.263777 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ag",
"S"
],
"chemical_system": "Ag-Na-S",
"density": 2.88286596006783,
"density_atomic": 0.04322829604380062,
"volume": 277.5959521476656,
"volume_molar": 13.931015818662225,
"formula_full": "Na6 Ag2 S4",
"formula_reduced": "Na3AgS2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0966407100000001,
"spacegroup": 72
},
{
"id": "jvasp-71738",
"created_at": "2022-09-04T14:35:52.565272Z",
"updated_at": "2022-09-04T14:35:52.565293Z",
"structure_string": "Mg1 Be2 Br1\n1.0\n3.127604 0.000000 0.000000\n0.000000 3.127604 0.000000\n0.000000 -0.000000 7.197857\nMg Be Br\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Mg\n0.000000 0.000000 0.740394 Be\n0.000000 0.000000 0.259606 Be\n0.499999 0.499999 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Br"
],
"chemical_system": "Be-Br-Mg",
"density": 2.8827841635505846,
"density_atomic": 0.05681110770902096,
"volume": 70.4087661956439,
"volume_molar": 10.60028751920243,
"formula_full": "Mg1 Be2 Br1",
"formula_reduced": "MgBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.83927883875,
"spacegroup": 123
},
{
"id": "jvasp-78404",
"created_at": "2022-09-04T14:37:14.070340Z",
"updated_at": "2022-09-04T14:37:14.070349Z",
"structure_string": "Ca1 N1\n1.0\n-2.497438 -2.497438 -0.000000\n-2.497438 -0.000000 -2.497438\n0.000000 -2.497438 -2.497438\nCa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.882765928270992,
"density_atomic": 0.06419716557244237,
"volume": 31.154023424026857,
"volume_molar": 9.380695714991345,
"formula_full": "Ca1 N1",
"formula_reduced": "CaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.2910718349999997,
"spacegroup": 225
},
{
"id": "jvasp-30172",
"created_at": "2022-09-04T14:37:15.078003Z",
"updated_at": "2022-09-04T14:37:15.078021Z",
"structure_string": "Fe1 P2 S6\n1.0\n5.773269 -0.000221 0.002378\n-2.886825 4.999687 0.002378\n0.002118 0.003669 6.190622\nFe P S\n1 2 6\ndirect\n0.333332 0.666668 0.500000 Fe\n-0.000291 -0.000315 0.674624 P\n0.000315 0.000291 0.325376 P\n0.026432 0.666120 0.743941 S\n0.027225 0.360734 0.256160 S\n0.333092 0.359953 0.743886 S\n0.333880 0.973569 0.256059 S\n0.640047 0.666909 0.256114 S\n0.639266 0.972776 0.743840 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"P",
"S"
],
"chemical_system": "Fe-P-S",
"density": 2.882553458182568,
"density_atomic": 0.050367855061554764,
"volume": 178.68539347171054,
"volume_molar": 11.956317680473623,
"formula_full": "Fe1 P2 S6",
"formula_reduced": "Fe(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.707154055555556,
"spacegroup": 149
},
{
"id": "jvasp-110202",
"created_at": "2022-09-04T14:38:18.940279Z",
"updated_at": "2022-09-04T14:38:18.940299Z",
"structure_string": "Na1 Li1 Zn1 S2\n1.0\n3.963253 0.000000 0.000000\n-1.981627 3.432278 0.000000\n-0.000000 -0.000000 6.753303\nNa Li Zn S\n1 1 1 2\ndirect\n0.666666 0.333334 0.023810 Na\n0.000000 0.000000 0.354749 Li\n0.333333 0.666667 0.613423 Zn\n0.000000 0.000000 0.739073 S\n0.333333 0.666667 0.268945 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Na",
"Li",
"Zn",
"S"
],
"chemical_system": "Li-Na-S-Zn",
"density": 2.8825508289202415,
"density_atomic": 0.05442764143946254,
"volume": 91.86508670527785,
"volume_molar": 11.064489661375756,
"formula_full": "Na1 Li1 Zn1 S2",
"formula_reduced": "NaLiZnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2260938800000001,
"spacegroup": 156
},
{
"id": "jvasp-18366",
"created_at": "2022-09-04T14:38:14.244928Z",
"updated_at": "2022-09-04T14:38:14.244959Z",
"structure_string": "K2 Ru1 Cl6\n1.0\n5.920610 -0.000000 3.418266\n1.973537 5.582005 3.418266\n-0.000000 -0.000000 6.836531\nK Ru Cl\n2 1 6\ndirect\n0.750001 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ru\n0.242340 0.757660 0.757661 Cl\n0.242340 0.757660 0.242340 Cl\n0.757661 0.242339 0.757661 Cl\n0.757661 0.242339 0.242340 Cl\n0.757661 0.757660 0.242340 Cl\n0.242340 0.242339 0.757661 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Ru",
"Cl"
],
"chemical_system": "Cl-K-Ru",
"density": 2.880883124669233,
"density_atomic": 0.039833644807158244,
"volume": 225.9396558755946,
"volume_molar": 15.118226788319909,
"formula_full": "K2 Ru1 Cl6",
"formula_reduced": "K2RuCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2825056561111111,
"spacegroup": 225
},
{
"id": "jvasp-11752",
"created_at": "2022-09-04T14:37:06.593516Z",
"updated_at": "2022-09-04T14:37:06.593549Z",
"structure_string": "Na4 Fe2 O8\n1.0\n5.431283 0.094009 0.000000\n-2.423066 4.861730 0.000000\n0.000000 -0.000000 7.177625\nNa Fe O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.813849 0.186151 0.250000 Na\n0.186150 0.813850 0.750001 Na\n0.854578 0.145422 0.750001 Fe\n0.145421 0.854579 0.250000 Fe\n0.750175 0.249825 0.937046 O\n0.249824 0.750175 0.437045 O\n0.249824 0.750175 0.062955 O\n0.750175 0.249825 0.562955 O\n0.194819 0.272806 0.750001 O\n0.805180 0.727194 0.250000 O\n0.727193 0.805181 0.750001 O\n0.272806 0.194819 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.8808267378190977,
"density_atomic": 0.07323582359918338,
"volume": 191.16327654921204,
"volume_molar": 8.22294399658687,
"formula_full": "Na4 Fe2 O8",
"formula_reduced": "Na2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6820396428571427,
"spacegroup": 63
}
]
}