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=density&page=13",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=11",
"results": [
{
"id": "mp-1096231",
"created_at": "2022-09-04T14:43:07.690306Z",
"structure_string": "Li1 Mg2 Cu1\n1.0\n-5.444042 5.510813 7.695358\n5.444042 -5.510813 7.695358\n5.444042 5.510813 -7.695358\nLi Mg Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735261 0.000000 0.735261 Mg\n0.264739 0.000000 0.264739 Mg\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cu"
],
"chemical_system": "Cu-Li-Mg",
"density": 0.214152899119336,
"density_atomic": 0.00433145722597345,
"volume": 923.476740348288,
"volume_molar": 139.03267297408405,
"formula_full": "Li1 Mg2 Cu1",
"formula_reduced": "LiMg2Cu",
"formula_anonymous": "ABC2",
"energy": -4.61967196,
"energy_per_atom": -1.15491799,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61967196,
"band_gap": 0.8963999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.595000Z",
"spacegroup": 71
},
{
"id": "mp-1207304",
"created_at": "2022-09-04T14:45:22.019645Z",
"structure_string": "Lu2 Cu1 As3\n1.0\n11.173622 0.000000 0.000000\n0.000000 11.173622 0.000000\n0.000000 0.000000 39.489367\nLu Cu As\n2 1 3\ndirect\n0.500000 0.500000 0.245219 Lu\n0.500000 0.500000 0.754781 Lu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.694200 As\n0.500000 0.500000 0.305800 As\n0.500000 0.500000 -0.000000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"Cu",
"As"
],
"chemical_system": "As-Cu-Lu",
"density": 0.2149652499009311,
"density_atomic": 0.0012169791219851873,
"volume": 4930.240701428426,
"volume_molar": 494.8433914113852,
"formula_full": "Lu2 Cu1 As3",
"formula_reduced": "Lu2CuAs3",
"formula_anonymous": "AB2C3",
"energy": -12.30353359,
"energy_per_atom": -2.050588931666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.30353359,
"band_gap": 0.1320999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9656412,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.819000Z",
"spacegroup": 123
},
{
"id": "mp-1214861",
"created_at": "2022-09-04T14:40:23.013384Z",
"structure_string": "Al2 H12\n1.0\n5.457904 2.715879 0.000000\n-5.457904 2.715879 0.000000\n0.000000 0.183274 17.209803\nAl H\n2 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.004693 0.132693 0.250095 H\n0.995307 0.867307 0.749905 H\n0.677706 0.284421 0.997488 H\n0.867307 0.995307 0.249905 H\n0.322294 0.715579 0.002512 H\n0.132693 0.004693 0.750095 H\n0.748348 0.498555 0.370855 H\n0.715579 0.322294 0.502512 H\n0.251652 0.501445 0.629145 H\n0.284421 0.677706 0.497488 H\n0.501445 0.251652 0.129145 H\n0.498555 0.748348 0.870855 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Al",
"H"
],
"chemical_system": "Al-H",
"density": 0.21499811998897975,
"density_atomic": 0.027440108955949342,
"volume": 510.20205577444085,
"volume_molar": 21.94648997082181,
"formula_full": "Al2 H12",
"formula_reduced": "AlH6",
"formula_anonymous": "AB6",
"energy": -35.209635090000006,
"energy_per_atom": -2.5149739350000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.06163509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9983358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.057000Z",
"spacegroup": 15
},
{
"id": "mp-1066989",
"created_at": "2022-09-04T14:48:05.537059Z",
"structure_string": "H2\n1.0\n1.312194 -2.252960 0.000000\n1.312194 2.252960 0.000000\n0.000000 0.000000 2.608958\nH\n2\ndirect\n0.582655 0.417345 0.000000 H\n0.417345 0.582655 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.2170027119837974,
"density_atomic": 0.12965264572492172,
"volume": 15.425832529814404,
"volume_molar": 4.644826741736463,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.68052013,
"energy_per_atom": -3.340260065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.68052013,
"band_gap": 6.2332,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.242000Z",
"spacegroup": 65
},
{
"id": "mp-1097677",
"created_at": "2022-09-04T14:40:54.469316Z",
"structure_string": "Na1 Mg2 Cd1\n1.0\n-6.243948 6.313858 8.926340\n6.243948 -6.313858 8.926340\n6.243948 6.313858 -8.926340\nNa Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254479 0.254479 Mg\n0.000000 0.745521 0.745521 Mg\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 0.217072513164477,
"density_atomic": 0.0028416624417585573,
"volume": 1407.6267262499368,
"volume_molar": 211.92315707537767,
"formula_full": "Na1 Mg2 Cd1",
"formula_reduced": "NaMg2Cd",
"formula_anonymous": "ABC2",
"energy": -1.66518687,
"energy_per_atom": -0.4162967175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.66518687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.138000Z",
"spacegroup": 71
},
{
"id": "mp-1206272",
"created_at": "2022-09-04T14:47:12.740983Z",
"structure_string": "Ta1 Se6\n1.0\n5.030092 -8.664420 0.000000\n5.030092 8.664420 0.000000\n0.000000 0.000000 57.327041\nTa Se\n1 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.250000 Se\n0.000000 0.000000 0.750000 Se\n0.246090 0.998302 0.000000 Se\n0.753910 0.001698 0.000000 Se\n0.998302 0.246090 0.000000 Se\n0.001698 0.753910 0.000000 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 0.21756634687335816,
"density_atomic": 0.001400854708170294,
"volume": 4996.94933327022,
"volume_molar": 429.8904607934488,
"formula_full": "Ta1 Se6",
"formula_reduced": "TaSe6",
"formula_anonymous": "AB6",
"energy": -28.87334986,
"energy_per_atom": -4.124764265714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.04134986,
"band_gap": 0.1612,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9992878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.336000Z",
"spacegroup": 65
},
{
"id": "mp-1096405",
"created_at": "2022-09-04T14:46:33.921761Z",
"structure_string": "Ba1 Sr2 Ca1\n1.0\n-7.789858 7.804859 11.027813\n7.789858 -7.804859 11.027813\n7.789858 7.804859 -11.027813\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.741732 0.000000 0.741732 Sr\n0.258268 0.000000 0.258268 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 0.21834479368707307,
"density_atomic": 0.001491475089397117,
"volume": 2681.908687872807,
"volume_molar": 403.77079059592376,
"formula_full": "Ba1 Sr2 Ca1",
"formula_reduced": "BaSr2Ca",
"formula_anonymous": "ABC2",
"energy": -1.2566258,
"energy_per_atom": -0.31415645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.2566258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0025693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.046000Z",
"spacegroup": 71
},
{
"id": "mp-1206305",
"created_at": "2022-09-04T14:43:02.086178Z",
"structure_string": "Zn1 Br6\n1.0\n5.360610 -8.077178 0.000000\n5.360610 8.077178 0.000000\n0.000000 0.000000 47.410312\nZn Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.249992 Br\n0.000000 0.000000 0.750008 Br\n0.257582 0.013876 0.000000 Br\n0.742418 0.986124 0.000000 Br\n0.013876 0.257582 0.000000 Br\n0.986124 0.742418 0.000000 Br\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zn",
"Br"
],
"chemical_system": "Br-Zn",
"density": 0.22036155433919802,
"density_atomic": 0.0017049881507675694,
"volume": 4105.600380183679,
"volume_molar": 353.2071913396518,
"formula_full": "Zn1 Br6",
"formula_reduced": "ZnBr6",
"formula_anonymous": "AB6",
"energy": -12.22040737,
"energy_per_atom": -1.7457724814285716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.01640737,
"band_gap": 0.2128999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.77316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.932000Z",
"spacegroup": 65
},
{
"id": "mp-1207340",
"created_at": "2022-09-04T14:42:53.952853Z",
"structure_string": "Dy2 Cu1 Sb3\n1.0\n11.433915 0.000000 0.000000\n0.000000 11.433915 0.000000\n0.000000 0.000000 43.275381\nDy Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.245474 Dy\n0.500000 0.500000 0.754526 Dy\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.693335 Sb\n0.500000 0.500000 0.306665 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Sb"
],
"chemical_system": "Cu-Dy-Sb",
"density": 0.22125311365862002,
"density_atomic": 0.0010605238300357986,
"volume": 5657.5814989442215,
"volume_molar": 567.8458691302314,
"formula_full": "Dy2 Cu1 Sb3",
"formula_reduced": "Dy2CuSb3",
"formula_anonymous": "AB2C3",
"energy": -11.57485225,
"energy_per_atom": -1.9291420416666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.99885225,
"band_gap": 0.1284999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9494452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.075000Z",
"spacegroup": 123
},
{
"id": "mp-995393",
"created_at": "2022-09-04T14:40:02.733335Z",
"structure_string": "Li2 S8\n1.0\n12.210871 0.000000 0.000000\n0.390307 12.842929 0.000000\n0.514386 1.313073 12.852301\nLi S\n2 8\ndirect\n0.648160 0.318061 0.530700 Li\n0.519788 0.481913 0.465939 Li\n0.465987 0.296680 0.489061 S\n0.425606 0.358886 0.627553 S\n0.292396 0.458894 0.603342 S\n0.340886 0.588990 0.503861 S\n0.419493 0.689643 0.592853 S\n0.583727 0.698744 0.544551 S\n0.675482 0.573155 0.607734 S\n0.715077 0.485033 0.484408 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 0.22277547787999633,
"density_atomic": 0.004961447349254914,
"volume": 2015.540888789589,
"volume_molar": 121.37870939826412,
"formula_full": "Li2 S8",
"formula_reduced": "LiS4",
"formula_anonymous": "AB4",
"energy": -43.19150536000001,
"energy_per_atom": -4.319150536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.16750536,
"band_gap": 2.1585,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.059000Z",
"spacegroup": 1
},
{
"id": "mp-1093855",
"created_at": "2022-09-04T14:47:26.227906Z",
"structure_string": "Ca2 Mg1 Cd1\n1.0\n-6.474925 6.793823 9.155077\n6.474925 -6.793823 9.155077\n6.474925 6.793823 -9.155077\nCa Mg Cd\n2 1 1\ndirect\n0.250538 0.000000 0.250538 Ca\n0.749462 0.000000 0.749462 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 0.2235535748613668,
"density_atomic": 0.0024830703745648873,
"volume": 1610.9088332629021,
"volume_molar": 242.52799363591416,
"formula_full": "Ca2 Mg1 Cd1",
"formula_reduced": "Ca2MgCd",
"formula_anonymous": "ABC2",
"energy": -1.35224896,
"energy_per_atom": -0.33806224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.35224896,
"band_gap": 0.0908999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.090000Z",
"spacegroup": 71
},
{
"id": "mp-1093539",
"created_at": "2022-09-04T14:39:39.871500Z",
"structure_string": "Ca2 Al1 Zn1\n1.0\n-6.090680 6.122124 8.590928\n6.090680 -6.122124 8.590928\n6.090680 6.122124 -8.590928\nCa Al Zn\n2 1 1\ndirect\n0.240109 0.000000 0.240109 Ca\n0.759891 0.000000 0.759891 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Zn"
],
"chemical_system": "Al-Ca-Zn",
"density": 0.22360801897211968,
"density_atomic": 0.0031217061245184807,
"volume": 1281.3505949785697,
"volume_molar": 192.91184114676742,
"formula_full": "Ca2 Al1 Zn1",
"formula_reduced": "Ca2AlZn",
"formula_anonymous": "ABC2",
"energy": -3.24241091,
"energy_per_atom": -0.8106027275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.24241091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7726946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.402000Z",
"spacegroup": 71
}
]
}