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&page=143",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=141",
"results": [
{
"id": "mp-1408",
"created_at": "2022-09-04T14:47:55.747892Z",
"structure_string": "Mg1 Hg1\n1.0\n3.499559 0.000000 0.000000\n0.000000 3.499559 0.000000\n0.000000 0.000000 3.499559\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 8.713425817011279,
"density_atomic": 0.04666486741812279,
"volume": 42.85879529196474,
"volume_molar": 12.905084902611849,
"formula_full": "Mg1 Hg1",
"formula_reduced": "MgHg",
"formula_anonymous": "AB",
"energy": -2.33452761,
"energy_per_atom": -1.167263805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.33452761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000368,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.130000Z",
"spacegroup": 221
},
{
"id": "mp-1221648",
"created_at": "2022-09-04T14:40:23.502732Z",
"structure_string": "Mn1 Fe1 O2\n1.0\n3.117485 0.000000 0.000000\n0.000000 3.117485 0.000000\n0.000000 0.000000 4.412032\nMn Fe O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.5293577314793865,
"density_atomic": 0.09328516684420325,
"volume": 42.8792715424999,
"volume_molar": 6.4556252228799185,
"formula_full": "Mn1 Fe1 O2",
"formula_reduced": "MnFeO2",
"formula_anonymous": "ABC2",
"energy": -33.27116395,
"energy_per_atom": -8.3177909875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.97316395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0065545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.513000Z",
"spacegroup": 123
},
{
"id": "mp-1220315",
"created_at": "2022-09-04T14:46:27.937971Z",
"structure_string": "Nb1 V1 H4\n1.0\n3.118271 0.000000 0.000000\n0.000000 3.118271 0.000000\n0.000000 0.000000 4.409866\nNb V H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.726576 H\n0.000000 0.500000 0.273424 H\n0.500000 0.000000 0.273424 H\n0.000000 0.500000 0.726576 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"V",
"H"
],
"chemical_system": "H-Nb-V",
"density": 5.726699272877399,
"density_atomic": 0.1399259118701208,
"volume": 42.879834905554866,
"volume_molar": 4.303806692780212,
"formula_full": "Nb1 V1 H4",
"formula_reduced": "NbVH4",
"formula_anonymous": "ABC4",
"energy": -34.67224884,
"energy_per_atom": -5.77870814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.95624884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5069829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.794000Z",
"spacegroup": 123
},
{
"id": "mp-1206366",
"created_at": "2022-09-04T14:46:52.723315Z",
"structure_string": "Mn1 Fe2 P1\n1.0\n0.000000 2.778583 2.778583\n2.778583 0.000000 2.778583\n2.778583 2.778583 0.000000\nMn Fe P\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"P"
],
"chemical_system": "Fe-Mn-P",
"density": 7.6478593216333,
"density_atomic": 0.09323089917587644,
"volume": 42.90423062909815,
"volume_molar": 6.45938290119831,
"formula_full": "Mn1 Fe2 P1",
"formula_reduced": "MnFe2P",
"formula_anonymous": "ABC2",
"energy": -32.47805066,
"energy_per_atom": -8.119512665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.47805066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.854000Z",
"spacegroup": 225
},
{
"id": "mp-1228951",
"created_at": "2022-09-04T14:40:10.964883Z",
"structure_string": "Al2 C1 O1\n1.0\n1.740864 -3.015265 0.000000\n1.740864 3.015265 0.000000\n0.000000 0.000000 4.087610\nAl C O\n2 1 1\ndirect\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.500000 Al\n0.333333 0.666667 0.500000 C\n0.666667 0.333333 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"C",
"O"
],
"chemical_system": "Al-C-O",
"density": 3.1719847160868366,
"density_atomic": 0.09321165341115926,
"volume": 42.913089228831566,
"volume_molar": 6.460716594561588,
"formula_full": "Al2 C1 O1",
"formula_reduced": "Al2CO",
"formula_anonymous": "ABC2",
"energy": -27.08638245,
"energy_per_atom": -6.7715956125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.39938245,
"band_gap": 1.7595999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.312000Z",
"spacegroup": 187
},
{
"id": "mp-1094057",
"created_at": "2022-09-04T14:43:56.431681Z",
"structure_string": "Si3\n1.0\n6.914641 -1.343114 0.000000\n6.914641 1.343114 0.000000\n6.653752 0.000000 2.311667\nSi\n3\ndirect\n0.000000 0.000000 0.000000 Si\n0.222404 0.222404 0.222404 Si\n0.777596 0.777596 0.777596 Si\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.258477527325782,
"density_atomic": 0.06986883032039273,
"volume": 42.93760159205621,
"volume_molar": 8.619209356138755,
"formula_full": "Si3",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -14.7227049,
"energy_per_atom": -4.9075683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.7227049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.275000Z",
"spacegroup": 166
},
{
"id": "mp-1183631",
"created_at": "2022-09-04T14:45:15.018164Z",
"structure_string": "Cd1 B1 O3\n1.0\n3.501721 0.000000 0.000000\n0.000000 3.501721 0.000000\n0.000000 0.000000 3.501721\nCd B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O",
"density": 6.621547143902192,
"density_atomic": 0.11644621651924023,
"volume": 42.938277854427824,
"volume_molar": 5.1716070646271035,
"formula_full": "Cd1 B1 O3",
"formula_reduced": "CdBO3",
"formula_anonymous": "ABC3",
"energy": -27.42510518,
"energy_per_atom": -5.485021036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.36410518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6728093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.140000Z",
"spacegroup": 221
},
{
"id": "mp-20895",
"created_at": "2022-09-04T14:45:32.105114Z",
"structure_string": "Np1 As1\n1.0\n3.501974 0.000000 0.000000\n0.000000 3.501974 0.000000\n0.000000 0.000000 3.501974\nNp As\n1 1\ndirect\n0.500000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"As"
],
"chemical_system": "As-Np",
"density": 12.060235690026134,
"density_atomic": 0.046568392153164086,
"volume": 42.94758542279004,
"volume_molar": 12.931820235908287,
"formula_full": "Np1 As1",
"formula_reduced": "NpAs",
"formula_anonymous": "AB",
"energy": -18.70123299,
"energy_per_atom": -9.350616495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.70123299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9740269,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.424000Z",
"spacegroup": 221
},
{
"id": "mp-999543",
"created_at": "2022-09-04T14:42:03.014890Z",
"structure_string": "Mn1 Co3\n1.0\n3.502105 0.000000 0.000000\n0.000000 3.502105 0.000000\n0.000000 0.000000 3.502105\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.958971802910327,
"density_atomic": 0.09312633305284378,
"volume": 42.9524052850898,
"volume_molar": 6.466635765184469,
"formula_full": "Mn1 Co3",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy": -30.15031684,
"energy_per_atom": -7.53757921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.15031684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6225347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.685000Z",
"spacegroup": 221
},
{
"id": "mp-1225083",
"created_at": "2022-09-04T14:42:18.188136Z",
"structure_string": "Fe1 Co3\n1.0\n2.466010 0.000000 0.000000\n0.000000 2.466010 0.000000\n0.000000 0.000000 7.063459\nFe Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.745404 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.254596 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.99362863011787,
"density_atomic": 0.09312212888591866,
"volume": 42.95434444910822,
"volume_molar": 6.466927713151359,
"formula_full": "Fe1 Co3",
"formula_reduced": "FeCo3",
"formula_anonymous": "AB3",
"energy": -29.65530206,
"energy_per_atom": -7.413825515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.65530206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1199937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.971000Z",
"spacegroup": 123
},
{
"id": "mp-22851",
"created_at": "2022-09-04T14:42:14.504056Z",
"structure_string": "Na1 Cl1\n1.0\n3.502190 0.000000 0.000000\n0.000000 3.502190 0.000000\n0.000000 0.000000 3.502190\nNa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 2.259231700010318,
"density_atomic": 0.046559776270813855,
"volume": 42.955532869553466,
"volume_molar": 12.934213268062884,
"formula_full": "Na1 Cl1",
"formula_reduced": "NaCl",
"formula_anonymous": "AB",
"energy": -7.08151743,
"energy_per_atom": -3.540758715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.46751743,
"band_gap": 3.9736,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004826,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.383000Z",
"spacegroup": 221
},
{
"id": "mp-2318",
"created_at": "2022-09-04T14:39:22.175484Z",
"structure_string": "Nb2 C1\n1.0\n1.573960 -2.726179 0.000000\n1.573960 2.726179 0.000000\n0.000000 0.000000 5.006823\nNb C\n2 1\ndirect\n0.666667 0.333333 0.749973 Nb\n0.333333 0.666667 0.250027 Nb\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.645160328135299,
"density_atomic": 0.06982017953488794,
"volume": 42.96752056475237,
"volume_molar": 8.625215231637782,
"formula_full": "Nb2 C1",
"formula_reduced": "Nb2C",
"formula_anonymous": "AB2",
"energy": -30.774784350000004,
"energy_per_atom": -10.258261450000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.774784350000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.320000Z",
"spacegroup": 164
}
]
}