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=-energy&page=99",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=97",
"results": [
{
"id": "mp-1056920",
"created_at": "2022-09-04T14:45:05.358259Z",
"structure_string": "Cs1 I1\n1.0\n4.665212 0.000000 0.000000\n0.000000 4.665212 0.000000\n0.000000 0.000000 4.665212\nCs I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"I"
],
"chemical_system": "Cs-I",
"density": 4.249038611978414,
"density_atomic": 0.019697714727538895,
"volume": 101.53462102910083,
"volume_molar": 30.572788992525066,
"formula_full": "Cs1 I1",
"formula_reduced": "CsI",
"formula_anonymous": "AB",
"energy": -5.8253591,
"energy_per_atom": -2.91267955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4463591,
"band_gap": 3.6776,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001373,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.255000Z",
"spacegroup": 221
},
{
"id": "mp-1039055",
"created_at": "2022-09-04T14:40:34.244113Z",
"structure_string": "Mg3 Cd1\n1.0\n1.617714 -2.801963 0.000000\n1.617714 2.801963 0.000000\n0.000000 0.000000 9.890729\nMg Cd\n3 1\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.744856 Mg\n0.000000 0.000000 0.255144 Mg\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.432124324897516,
"density_atomic": 0.04461054746229992,
"volume": 89.66489378729041,
"volume_molar": 13.499365290437808,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -5.82818498,
"energy_per_atom": -1.457046245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.82818498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.016000Z",
"spacegroup": 187
},
{
"id": "mp-1094247",
"created_at": "2022-09-04T14:39:37.299405Z",
"structure_string": "Mg1 Sn1\n1.0\n5.021736 -1.695767 0.000000\n5.021736 1.695767 0.000000\n4.449100 0.000000 2.880792\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.840260468164398,
"density_atomic": 0.04076317849795152,
"volume": 49.06388740270847,
"volume_molar": 14.773481808595058,
"formula_full": "Mg1 Sn1",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -5.8288313,
"energy_per_atom": -2.91441565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.8288313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.475000Z",
"spacegroup": 166
},
{
"id": "mp-1185054",
"created_at": "2022-09-04T14:40:00.629531Z",
"structure_string": "K3 In1\n1.0\n0.000000 4.612928 4.612928\n4.612928 0.000000 4.612928\n4.612928 4.612928 0.000000\nK In\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"In"
],
"chemical_system": "In-K",
"density": 1.9633076159376193,
"density_atomic": 0.02037511025443609,
"volume": 196.31795607727403,
"volume_molar": 29.556359130321038,
"formula_full": "K3 In1",
"formula_reduced": "K3In",
"formula_anonymous": "AB3",
"energy": -5.8294004,
"energy_per_atom": -1.4573501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.8294004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9237416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.559000Z",
"spacegroup": 225
},
{
"id": "mp-1038832",
"created_at": "2022-09-04T14:47:11.940296Z",
"structure_string": "Mg3 Cd1\n1.0\n0.000000 3.537437 3.537437\n3.537437 0.000000 3.537437\n3.537437 3.537437 0.000000\nMg Cd\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.4760763900708866,
"density_atomic": 0.04518183378641678,
"volume": 88.53115654642903,
"volume_molar": 13.328677159204778,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -5.83122581,
"energy_per_atom": -1.4578064525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.83122581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.797000Z",
"spacegroup": 225
},
{
"id": "mp-1096937",
"created_at": "2022-09-04T14:42:08.796945Z",
"structure_string": "Cu1 I1\n1.0\n0.000000 2.862089 2.862089\n2.862089 0.000000 2.862089\n2.862089 2.862089 0.000000\nCu I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 6.744530872913697,
"density_atomic": 0.04265309956009892,
"volume": 46.889910009516825,
"volume_molar": 14.118881915052164,
"formula_full": "Cu1 I1",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy": -5.833161199999999,
"energy_per_atom": -2.9165805999999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4541612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000364,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.060000Z",
"spacegroup": 225
},
{
"id": "mp-1187119",
"created_at": "2022-09-04T14:39:34.169574Z",
"structure_string": "Sr3 Hg1\n1.0\n5.513000 0.000000 0.000000\n0.000000 5.513000 0.000000\n0.000000 0.000000 5.513000\nSr Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 4.592910753013628,
"density_atomic": 0.02387239621303189,
"volume": 167.557540697,
"volume_molar": 25.226377386919065,
"formula_full": "Sr3 Hg1",
"formula_reduced": "Sr3Hg",
"formula_anonymous": "AB3",
"energy": -5.8337378,
"energy_per_atom": -1.45843445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.8337378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3588138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.291000Z",
"spacegroup": 221
},
{
"id": "mp-1186770",
"created_at": "2022-09-04T14:47:34.015621Z",
"structure_string": "Sr1 Tb1\n1.0\n1.907664 -3.304171 0.000000\n1.907664 3.304171 0.000000\n0.000000 0.000000 6.357769\nSr Tb\n1 1\ndirect\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.000000 Tb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Tb"
],
"chemical_system": "Sr-Tb",
"density": 5.107951605772764,
"density_atomic": 0.024953464809506158,
"volume": 80.14919031356676,
"volume_molar": 24.133485293416378,
"formula_full": "Sr1 Tb1",
"formula_reduced": "SrTb",
"formula_anonymous": "AB",
"energy": -5.83782703,
"energy_per_atom": -2.918913515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.83782703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.630802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.973000Z",
"spacegroup": 187
},
{
"id": "mp-1093905",
"created_at": "2022-09-04T14:43:53.576778Z",
"structure_string": "Li1 La2 Tl1\n1.0\n-6.004615 6.312828 8.919870\n6.004615 -6.312828 8.919870\n6.004615 6.312828 -8.919870\nLi La Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256999 0.256999 La\n0.000000 0.743001 0.743001 La\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Tl"
],
"chemical_system": "La-Li-Tl",
"density": 0.6005517137948675,
"density_atomic": 0.002957551744079407,
"volume": 1352.4699975266449,
"volume_molar": 203.61911746955766,
"formula_full": "Li1 La2 Tl1",
"formula_reduced": "LiLa2Tl",
"formula_anonymous": "ABC2",
"energy": -5.83802725,
"energy_per_atom": -1.4595068125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.83802725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1818121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.141000Z",
"spacegroup": 71
},
{
"id": "mp-1055",
"created_at": "2022-09-04T14:41:53.740230Z",
"structure_string": "Cd1 Se1\n1.0\n0.000000 2.873958 2.873958\n2.873958 0.000000 2.873958\n2.873958 2.873958 0.000000\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 6.693510929408785,
"density_atomic": 0.04212682695855501,
"volume": 47.475685789666265,
"volume_molar": 14.2952631251451,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy": -5.839225000000001,
"energy_per_atom": -2.9196125000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.367225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.459000Z",
"spacegroup": 225
},
{
"id": "mp-2468",
"created_at": "2022-09-04T14:41:26.056637Z",
"structure_string": "Er1 Hg1\n1.0\n3.697645 0.000000 0.000000\n0.000000 3.697645 0.000000\n0.000000 0.000000 3.697645\nEr Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Hg"
],
"chemical_system": "Er-Hg",
"density": 12.082116992577475,
"density_atomic": 0.03955982440253137,
"volume": 50.55634169781661,
"volume_molar": 15.222870300745452,
"formula_full": "Er1 Hg1",
"formula_reduced": "ErHg",
"formula_anonymous": "AB",
"energy": -5.84137199,
"energy_per_atom": -2.920685995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84137199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.861000Z",
"spacegroup": 221
},
{
"id": "mp-631530",
"created_at": "2022-09-04T14:48:09.416907Z",
"structure_string": "Hg2 B1 Cl1\n1.0\n0.000000 3.568583 3.568583\n3.568583 0.000000 3.568583\n3.568583 3.568583 0.000000\nHg B Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 B\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"B",
"Cl"
],
"chemical_system": "B-Cl-Hg",
"density": 8.17467289823578,
"density_atomic": 0.04400911030398935,
"volume": 90.89027186349202,
"volume_molar": 13.68385027191541,
"formula_full": "Hg2 B1 Cl1",
"formula_reduced": "Hg2BCl",
"formula_anonymous": "ABC2",
"energy": -5.84258645,
"energy_per_atom": -1.4606466125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.22858645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.585000Z",
"spacegroup": 216
}
]
}