HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12180",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12178",
"results": [
{
"id": "mp-1097264",
"created_at": "2022-09-04T14:44:41.733018Z",
"structure_string": "Ba1 Sr1 Li2\n1.0\n-6.924035 7.503776 9.626771\n6.924035 -7.503776 9.626771\n6.924035 7.503776 -9.626771\nBa Sr Li\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.245886 0.000000 0.245886 Li\n0.754114 0.000000 0.754114 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Li"
],
"chemical_system": "Ba-Li-Sr",
"density": 0.1982240794472177,
"density_atomic": 0.0019993104838442514,
"volume": 2000.6897539539962,
"volume_molar": 301.2108828850183,
"formula_full": "Ba1 Sr1 Li2",
"formula_reduced": "BaSrLi2",
"formula_anonymous": "ABC2",
"energy": -2.45863386,
"energy_per_atom": -0.614658465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.45863386,
"band_gap": 0.3457000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.308000Z",
"spacegroup": 71
},
{
"id": "mp-1097478",
"created_at": "2022-09-04T14:39:08.964033Z",
"structure_string": "Ba2 Cd1 Hg1\n1.0\n-6.908156 7.372628 9.830375\n6.908156 -7.372628 9.830375\n6.908156 7.372628 -9.830375\nBa Cd Hg\n2 1 1\ndirect\n0.748705 0.000000 0.748705 Ba\n0.251295 0.000000 0.251295 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 0.48725577939326753,
"density_atomic": 0.0019973099118658424,
"volume": 2002.6937112945527,
"volume_molar": 301.512585714565,
"formula_full": "Ba2 Cd1 Hg1",
"formula_reduced": "Ba2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.35105391,
"energy_per_atom": -0.3377634775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.35105391,
"band_gap": 0.0559999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.268000Z",
"spacegroup": 71
},
{
"id": "mp-1215096",
"created_at": "2022-09-04T14:39:32.959654Z",
"structure_string": "Ag3 S1 I3\n1.0\n11.521519 8.670165 0.000000\n-11.521519 8.670165 0.000000\n0.000000 0.322875 17.586674\nAg S I\n3 1 3\ndirect\n0.615381 0.894947 0.897031 Ag\n0.894947 0.615381 0.897031 Ag\n0.884372 0.884372 0.623752 Ag\n0.999053 0.999053 0.999350 S\n0.000262 0.000262 0.530390 I\n0.539229 0.989154 0.988894 I\n0.989154 0.539229 0.988894 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ag",
"S",
"I"
],
"chemical_system": "Ag-I-S",
"density": 0.34801827134173396,
"density_atomic": 0.0019922655636191895,
"volume": 3513.5878106951063,
"volume_molar": 302.2760052660881,
"formula_full": "Ag3 S1 I3",
"formula_reduced": "Ag3SI3",
"formula_anonymous": "AB3C3",
"energy": -12.23428454,
"energy_per_atom": -1.7477549342857144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.59428454,
"band_gap": 0.3659999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9988092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.328000Z",
"spacegroup": 8
},
{
"id": "mp-1093639",
"created_at": "2022-09-04T14:40:31.353718Z",
"structure_string": "La1 Mg2 Cd1\n1.0\n-6.348615 7.491552 10.604657\n6.348615 -7.491552 10.604657\n6.348615 7.491552 -10.604657\nLa Mg Cd\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.239391 0.239391 Mg\n0.000000 0.760609 0.760609 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Cd"
],
"chemical_system": "Cd-La-Mg",
"density": 0.2468632753388417,
"density_atomic": 0.001982679812260511,
"volume": 2017.471492504624,
"volume_molar": 303.73743267875324,
"formula_full": "La1 Mg2 Cd1",
"formula_reduced": "LaMg2Cd",
"formula_anonymous": "ABC2",
"energy": -2.66496347,
"energy_per_atom": -0.6662408675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.66496347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4783742,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.969000Z",
"spacegroup": 71
},
{
"id": "mp-1096688",
"created_at": "2022-09-04T14:48:13.485887Z",
"structure_string": "Ba2 Li1 Tl1\n1.0\n-6.936571 7.176227 10.142471\n6.936571 -7.176227 10.142471\n6.936571 7.176227 -10.142471\nBa Li Tl\n2 1 1\ndirect\n0.000000 0.260079 0.260079 Ba\n0.000000 0.739921 0.739921 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Tl"
],
"chemical_system": "Ba-Li-Tl",
"density": 0.39959606709256545,
"density_atomic": 0.001980684128493344,
"volume": 2019.5042422249824,
"volume_molar": 304.0434703023995,
"formula_full": "Ba2 Li1 Tl1",
"formula_reduced": "Ba2LiTl",
"formula_anonymous": "ABC2",
"energy": -3.64824652,
"energy_per_atom": -0.91206163,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.64824652,
"band_gap": 0.4025999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0016533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:36.363000Z",
"spacegroup": 71
},
{
"id": "mp-1215094",
"created_at": "2022-09-04T14:48:24.507427Z",
"structure_string": "Ag1 As3 Se6\n1.0\n5.136449 -8.741720 0.000000\n5.136449 8.741720 0.000000\n0.000000 0.000000 56.381335\nAg As Se\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 As\n0.500000 0.000000 0.000000 As\n0.000000 0.500000 0.000000 As\n0.000000 0.000000 0.239933 Se\n0.000000 0.000000 0.760067 Se\n0.260509 0.992628 0.000000 Se\n0.739491 0.007372 0.000000 Se\n0.992628 0.260509 0.000000 Se\n0.007372 0.739491 0.000000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"As",
"Se"
],
"chemical_system": "Ag-As-Se",
"density": 0.2644664733303677,
"density_atomic": 0.0019750349138033785,
"volume": 5063.201632594296,
"volume_molar": 304.91312927744656,
"formula_full": "Ag1 As3 Se6",
"formula_reduced": "Ag(AsSe2)3",
"formula_anonymous": "AB3C6",
"energy": -26.83655739,
"energy_per_atom": -2.6836557389999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.00455739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.030842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:37.470000Z",
"spacegroup": 65
},
{
"id": "mp-1095846",
"created_at": "2022-09-04T14:48:26.481888Z",
"structure_string": "Ba2 Na1 Pb1\n1.0\n-7.024843 7.095905 10.181357\n7.024843 -7.095905 10.181357\n7.024843 7.095905 -10.181357\nBa Na Pb\n2 1 1\ndirect\n0.000000 0.270269 0.270269 Ba\n0.000000 0.729731 0.729731 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Pb"
],
"chemical_system": "Ba-Na-Pb",
"density": 0.41294862640053787,
"density_atomic": 0.0019703796754697175,
"volume": 2030.0656009590857,
"volume_molar": 305.63352002524016,
"formula_full": "Ba2 Na1 Pb1",
"formula_reduced": "Ba2NaPb",
"formula_anonymous": "ABC2",
"energy": -4.79450991,
"energy_per_atom": -1.1986274775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79450991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.141000Z",
"spacegroup": 71
},
{
"id": "mp-1210811",
"created_at": "2022-09-04T14:47:58.287691Z",
"structure_string": "Na9 Hg1\n1.0\n6.675720 -11.568252 0.000000\n6.675720 11.568252 0.000000\n0.000000 0.000000 32.897133\nNa Hg\n9 1\ndirect\n0.000000 0.000000 0.248294 Na\n0.000000 0.000000 0.751706 Na\n0.252157 0.996765 0.000000 Na\n0.747843 0.003235 0.000000 Na\n0.996765 0.252157 0.000000 Na\n0.003235 0.747843 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 0.13317435370757058,
"density_atomic": 0.0019680951917459485,
"volume": 5081.055043444692,
"volume_molar": 305.98828680931854,
"formula_full": "Na9 Hg1",
"formula_reduced": "Na9Hg",
"formula_anonymous": "AB9",
"energy": -4.20269748,
"energy_per_atom": -0.42026974800000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.20269748,
"band_gap": 0.0583,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9940814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.711000Z",
"spacegroup": 65
},
{
"id": "mp-1097210",
"created_at": "2022-09-04T14:48:26.280231Z",
"structure_string": "La1 Cd2 In1\n1.0\n-6.597478 7.534685 10.225967\n6.597478 -7.534685 10.225967\n6.597478 7.534685 -10.225967\nLa Cd In\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.242663 0.242663 Cd\n0.000000 0.757337 0.757337 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"In"
],
"chemical_system": "Cd-In-La",
"density": 0.39080928868042775,
"density_atomic": 0.0019672183272885922,
"volume": 2033.3279456140394,
"volume_molar": 306.12467749323423,
"formula_full": "La1 Cd2 In1",
"formula_reduced": "LaCd2In",
"formula_anonymous": "ABC2",
"energy": -3.34920711,
"energy_per_atom": -0.8373017775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.34920711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.126083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.846000Z",
"spacegroup": 71
},
{
"id": "mp-1095880",
"created_at": "2022-09-04T14:40:03.447651Z",
"structure_string": "Cs1 Tl2 Bi1\n1.0\n-6.903154 7.266110 10.140206\n6.903154 -7.266110 10.140206\n6.903154 7.266110 -10.140206\nCs Tl Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.295546 0.295546 Tl\n0.000000 0.704454 0.704454 Tl\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Tl",
"Bi"
],
"chemical_system": "Bi-Cs-Tl",
"density": 0.6126771810755407,
"density_atomic": 0.0019660913472342822,
"volume": 2034.4934662506066,
"volume_molar": 306.30015072653663,
"formula_full": "Cs1 Tl2 Bi1",
"formula_reduced": "CsTl2Bi",
"formula_anonymous": "ABC2",
"energy": -7.43958986,
"energy_per_atom": -1.859897465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.43958986,
"band_gap": 1.018,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.654000Z",
"spacegroup": 71
},
{
"id": "mp-1093904",
"created_at": "2022-09-04T14:39:11.015889Z",
"structure_string": "Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Bi"
],
"chemical_system": "Bi-Na-Rb",
"density": 0.27768589762394347,
"density_atomic": 0.001964896950183748,
"volume": 2035.730168763272,
"volume_molar": 306.4863406417745,
"formula_full": "Rb1 Na2 Bi1",
"formula_reduced": "RbNa2Bi",
"formula_anonymous": "ABC2",
"energy": -4.64684941,
"energy_per_atom": -1.1617123525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64684941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0022979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.386000Z",
"spacegroup": 71
},
{
"id": "mp-1208450",
"created_at": "2022-09-04T14:42:18.738268Z",
"structure_string": "Th2 As3\n1.0\n8.809555 0.000000 0.000000\n0.000000 8.809555 0.000000\n0.000000 0.000000 32.845132\nTh As\n2 3\ndirect\n0.500000 0.500000 0.281916 Th\n0.500000 0.500000 0.718084 Th\n0.500000 0.500000 0.642713 As\n0.500000 0.500000 0.357287 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Th",
"As"
],
"chemical_system": "As-Th",
"density": 0.44873410814600356,
"density_atomic": 0.00196151236485934,
"volume": 2549.053520933858,
"volume_molar": 307.01518215674605,
"formula_full": "Th2 As3",
"formula_reduced": "Th2As3",
"formula_anonymous": "A2B3",
"energy": -15.89404678,
"energy_per_atom": -3.178809356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.89404678,
"band_gap": 0.1217999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9375369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.281000Z",
"spacegroup": 123
}
]
}