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=12130",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12128",
"results": [
{
"id": "mp-1095854",
"created_at": "2022-09-04T14:45:36.516547Z",
"structure_string": "Mg1 Zr1 Ag2\n1.0\n-5.537200 5.832304 8.638114\n5.537200 -5.832304 8.638114\n5.537200 5.832304 -8.638114\nMg Zr Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.242896 0.242896 Ag\n0.000000 0.757104 0.757104 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Ag"
],
"chemical_system": "Ag-Mg-Zr",
"density": 0.492964776330895,
"density_atomic": 0.0035846825823795505,
"volume": 1115.8589102594287,
"volume_molar": 167.99648564706217,
"formula_full": "Mg1 Zr1 Ag2",
"formula_reduced": "MgZrAg2",
"formula_anonymous": "ABC2",
"energy": -7.89644054,
"energy_per_atom": -1.974110135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.89644054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2636725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.895000Z",
"spacegroup": 71
},
{
"id": "mp-1096522",
"created_at": "2022-09-04T14:46:39.723756Z",
"structure_string": "Y2 Cd1 Ru1\n1.0\n-5.817249 6.334195 8.942697\n5.817249 -6.334195 8.942697\n5.817249 6.334195 -8.942697\nY Cd Ru\n2 1 1\ndirect\n0.000000 0.200437 0.200437 Y\n0.000000 0.799563 0.799563 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Ru"
],
"chemical_system": "Cd-Ru-Y",
"density": 0.4929617844499655,
"density_atomic": 0.003034746374041106,
"volume": 1318.0673133727319,
"volume_molar": 198.4396723071405,
"formula_full": "Y2 Cd1 Ru1",
"formula_reduced": "Y2CdRu",
"formula_anonymous": "ABC2",
"energy": -14.99979376,
"energy_per_atom": -3.74994844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.99979376,
"band_gap": 0.1660000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.400000Z",
"spacegroup": 71
},
{
"id": "mp-1097549",
"created_at": "2022-09-04T14:47:13.033237Z",
"structure_string": "Sc2 Co1 Cu1\n1.0\n-4.729245 5.320600 7.113901\n4.729245 -5.320600 7.113901\n4.729245 5.320600 -7.113901\nSc Co Cu\n2 1 1\ndirect\n0.000000 0.220360 0.220360 Sc\n0.000000 0.779640 0.779640 Sc\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Sc",
"density": 0.4925666616252553,
"density_atomic": 0.005586499438595698,
"volume": 716.0118861491369,
"volume_molar": 107.79810910557993,
"formula_full": "Sc2 Co1 Cu1",
"formula_reduced": "Sc2CoCu",
"formula_anonymous": "ABC2",
"energy": -15.07239167,
"energy_per_atom": -3.7680979175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.07239167,
"band_gap": 0.4650999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8148158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.608000Z",
"spacegroup": 71
},
{
"id": "mp-1096213",
"created_at": "2022-09-04T14:39:24.966627Z",
"structure_string": "Sc2 Cu1 Pd1\n1.0\n-4.987671 5.579399 7.872279\n4.987671 -5.579399 7.872279\n4.987671 5.579399 -7.872279\nSc Cu Pd\n2 1 1\ndirect\n0.000000 0.263104 0.263104 Sc\n0.000000 0.736896 0.736896 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Sc",
"density": 0.49246189461325734,
"density_atomic": 0.004564721689099868,
"volume": 876.285625375941,
"volume_molar": 131.9278845494636,
"formula_full": "Sc2 Cu1 Pd1",
"formula_reduced": "Sc2CuPd",
"formula_anonymous": "ABC2",
"energy": -14.28683166,
"energy_per_atom": -3.571707915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.28683166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3331715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.932000Z",
"spacegroup": 71
},
{
"id": "mp-1238814",
"created_at": "2022-09-04T14:43:24.487721Z",
"structure_string": "H4 N1\n1.0\n3.933699 0.000000 0.000000\n0.000000 3.933699 0.000000\n0.000000 0.000000 3.933699\nH N\n4 1\ndirect\n0.154360 0.154360 0.845640 H\n0.154360 0.845640 0.154360 H\n0.845640 0.154360 0.154360 H\n0.845640 0.845640 0.845640 H\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 0.49209072452533437,
"density_atomic": 0.08214225634577589,
"volume": 60.87001042377772,
"volume_molar": 7.3313554166931345,
"formula_full": "H4 N1",
"formula_reduced": "H4N",
"formula_anonymous": "AB4",
"energy": -21.97556789,
"energy_per_atom": -4.395113578,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.61456789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.786000Z",
"spacegroup": 215
},
{
"id": "mp-1096472",
"created_at": "2022-09-04T14:40:09.291285Z",
"structure_string": "Mg1 Ga1 Cu2\n1.0\n-4.960255 5.161791 7.298522\n4.960255 -5.161791 7.298522\n4.960255 5.161791 -7.298522\nMg Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.261241 0.261241 Cu\n0.000000 0.738759 0.738759 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Mg",
"density": 0.49122197937080214,
"density_atomic": 0.005351316760490377,
"volume": 747.4795791444521,
"volume_molar": 112.5356810208363,
"formula_full": "Mg1 Ga1 Cu2",
"formula_reduced": "MgGaCu2",
"formula_anonymous": "ABC2",
"energy": -7.44266385,
"energy_per_atom": -1.8606659625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.44266385,
"band_gap": 0.4249,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.924000Z",
"spacegroup": 71
},
{
"id": "mp-1182562",
"created_at": "2022-09-04T14:42:27.994273Z",
"structure_string": "Bi2 Pd3 S2\n1.0\n11.765509 12.044002 0.000000\n-11.765509 12.044002 0.000000\n0.000000 4.573997 9.558598\nBi Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.430210 0.430210 0.707300 S\n0.569790 0.569790 0.292700 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"S"
],
"chemical_system": "Bi-Pd-S",
"density": 0.4912086886598495,
"density_atomic": 0.002583998801357441,
"volume": 2708.9795847903333,
"volume_molar": 233.05509107962487,
"formula_full": "Bi2 Pd3 S2",
"formula_reduced": "Bi2Pd3S2",
"formula_anonymous": "A2B2C3",
"energy": -16.40577043,
"energy_per_atom": -2.3436814900000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.399770429999998,
"band_gap": 0.0599999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.4734801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.524000Z",
"spacegroup": 12
},
{
"id": "mp-1097424",
"created_at": "2022-09-04T14:46:25.142375Z",
"structure_string": "Y1 Zn2 Ag1\n1.0\n-5.736728 5.890208 8.199925\n5.736728 -5.890208 8.199925\n5.736728 5.890208 -8.199925\nY Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.275217 0.275217 Zn\n0.000000 0.724783 0.724783 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Ag"
],
"chemical_system": "Ag-Y-Zn",
"density": 0.49081484491384736,
"density_atomic": 0.003609069370505426,
"volume": 1108.3189568727594,
"volume_molar": 166.86131913160315,
"formula_full": "Y1 Zn2 Ag1",
"formula_reduced": "YZn2Ag",
"formula_anonymous": "ABC2",
"energy": -5.64694633,
"energy_per_atom": -1.4117365825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.64694633,
"band_gap": 0.3673000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.109000Z",
"spacegroup": 71
},
{
"id": "mp-1095803",
"created_at": "2022-09-04T14:41:31.031824Z",
"structure_string": "Y2 In1 Pd1\n1.0\n-5.643129 6.513628 9.187108\n5.643129 -6.513628 9.187108\n5.643129 6.513628 -9.187108\nY In Pd\n2 1 1\ndirect\n0.000000 0.227922 0.227922 Y\n0.000000 0.772078 0.772078 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Pd"
],
"chemical_system": "In-Pd-Y",
"density": 0.4905624959554835,
"density_atomic": 0.0029612716443508397,
"volume": 1350.7710471718196,
"volume_molar": 203.36333451503248,
"formula_full": "Y2 In1 Pd1",
"formula_reduced": "Y2InPd",
"formula_anonymous": "ABC2",
"energy": -13.57897281,
"energy_per_atom": -3.3947432025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.57897281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.838000Z",
"spacegroup": 71
},
{
"id": "mp-1095924",
"created_at": "2022-09-04T14:41:59.377664Z",
"structure_string": "Li1 Ga2 Cu1\n1.0\n-4.938532 5.145698 6.994842\n4.938532 -5.145698 6.994842\n4.938532 5.145698 -6.994842\nLi Ga Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.267101 0.000000 0.267101 Ga\n0.732899 0.000000 0.732899 Ga\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Li",
"density": 0.49028628299059834,
"density_atomic": 0.005625743470320385,
"volume": 711.0171341979446,
"volume_molar": 107.04613162279581,
"formula_full": "Li1 Ga2 Cu1",
"formula_reduced": "LiGa2Cu",
"formula_anonymous": "ABC2",
"energy": -7.1073169,
"energy_per_atom": -1.776829225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.1073169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.321000Z",
"spacegroup": 71
},
{
"id": "mp-1097423",
"created_at": "2022-09-04T14:42:25.817978Z",
"structure_string": "Y2 Si1 Pd1\n1.0\n-5.243585 5.986765 8.433024\n5.243585 -5.986765 8.433024\n5.243585 5.986765 -8.433024\nY Si Pd\n2 1 1\ndirect\n0.000000 0.249115 0.249115 Y\n0.000000 0.750885 0.750885 Y\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Y",
"density": 0.4897575602836419,
"density_atomic": 0.0037774275221749212,
"volume": 1058.921707039644,
"volume_molar": 159.42438934030548,
"formula_full": "Y2 Si1 Pd1",
"formula_reduced": "Y2SiPd",
"formula_anonymous": "ABC2",
"energy": -16.302303939999998,
"energy_per_atom": -4.0755759849999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.37330394,
"band_gap": 0.0329999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.402000Z",
"spacegroup": 71
},
{
"id": "mp-1093947",
"created_at": "2022-09-04T14:45:29.305358Z",
"structure_string": "Sr2 Cu1 Pd1\n1.0\n-5.743624 6.008000 8.487450\n5.743624 -6.008000 8.487450\n5.743624 6.008000 -8.487450\nSr Cu Pd\n2 1 1\ndirect\n0.000000 0.262651 0.262651 Sr\n0.000000 0.737349 0.737349 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Sr",
"density": 0.48929895393403233,
"density_atomic": 0.0034143406259796055,
"volume": 1171.5292755398016,
"volume_molar": 176.37785504403774,
"formula_full": "Sr2 Cu1 Pd1",
"formula_reduced": "Sr2CuPd",
"formula_anonymous": "ABC2",
"energy": -8.46696113,
"energy_per_atom": -2.1167402825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.46696113,
"band_gap": 0.1976,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.556000Z",
"spacegroup": 71
}
]
}