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=-formula_reduced&page=12183",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=12181",
"results": [
{
"id": "mp-861605",
"created_at": "2022-09-04T14:45:54.868084Z",
"structure_string": "Ac1 H3\n1.0\n0.000000 2.902940 2.902940\n2.902940 0.000000 2.902940\n2.902940 2.902940 0.000000\nAc H\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"H"
],
"chemical_system": "Ac-H",
"density": 7.806884144852546,
"density_atomic": 0.08175528122880726,
"volume": 48.92650284946438,
"volume_molar": 7.366057176350389,
"formula_full": "Ac1 H3",
"formula_reduced": "AcH3",
"formula_anonymous": "AB3",
"energy": -16.98057447,
"energy_per_atom": -4.2451436175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.44357447,
"band_gap": 0.6406999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.064000Z",
"spacegroup": 225
},
{
"id": "mp-24147",
"created_at": "2022-09-04T14:45:07.934776Z",
"structure_string": "Ac1 H2\n1.0\n0.000000 2.950832 2.950832\n2.950832 0.000000 2.950832\n2.950832 2.950832 0.000000\nAc H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ac",
"H"
],
"chemical_system": "Ac-H",
"density": 7.400332714943241,
"density_atomic": 0.05837915514280777,
"volume": 51.388205133516664,
"volume_molar": 10.3155668239264,
"formula_full": "Ac1 H2",
"formula_reduced": "AcH2",
"formula_anonymous": "AB2",
"energy": -12.940492850000002,
"energy_per_atom": -4.313497616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.58249285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.054000Z",
"spacegroup": 225
},
{
"id": "mp-862665",
"created_at": "2022-09-04T14:40:35.036701Z",
"structure_string": "Ac2 Ge6\n1.0\n3.322268 -5.754336 0.000000\n3.322268 5.754336 0.000000\n0.000000 0.000000 4.968041\nAc Ge\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.136989 0.273977 0.250000 Ge\n0.726023 0.863011 0.250000 Ge\n0.136989 0.863011 0.250000 Ge\n0.863011 0.726023 0.750000 Ge\n0.273977 0.136989 0.750000 Ge\n0.863011 0.136989 0.750000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Ge"
],
"chemical_system": "Ac-Ge",
"density": 7.778860343599504,
"density_atomic": 0.042115788867865635,
"volume": 189.952514604422,
"volume_molar": 14.299009758297313,
"formula_full": "Ac2 Ge6",
"formula_reduced": "AcGe3",
"formula_anonymous": "AB3",
"energy": -39.5011003,
"energy_per_atom": -4.9376375375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.5011003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017364,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.278000Z",
"spacegroup": 194
},
{
"id": "mp-861884",
"created_at": "2022-09-04T14:46:54.868905Z",
"structure_string": "Ac1 Ga1 Te2\n1.0\n0.000000 3.992739 3.992739\n3.992739 0.000000 3.992739\n3.992739 3.992739 0.000000\nAc Ga Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Te\n0.750000 0.750000 0.750000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Ga",
"Te"
],
"chemical_system": "Ac-Ga-Te",
"density": 7.199209779346417,
"density_atomic": 0.03142079939917351,
"volume": 127.30420856527334,
"volume_molar": 19.166096583011843,
"formula_full": "Ac1 Ga1 Te2",
"formula_reduced": "AcGaTe2",
"formula_anonymous": "ABC2",
"energy": -18.05225312,
"energy_per_atom": -4.51306328,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.20825312,
"band_gap": 0.4909999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.903000Z",
"spacegroup": 225
},
{
"id": "mp-1183053",
"created_at": "2022-09-04T14:43:54.994972Z",
"structure_string": "Ac1 Ga1 O3\n1.0\n3.977450 0.000000 0.000000\n0.000000 3.977450 0.000000\n0.000000 0.000000 3.977450\nAc Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ga\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": [
"Ac",
"Ga",
"O"
],
"chemical_system": "Ac-Ga-O",
"density": 9.097098637430856,
"density_atomic": 0.07946132776450215,
"volume": 62.923690563268636,
"volume_molar": 7.578706434213749,
"formula_full": "Ac1 Ga1 O3",
"formula_reduced": "AcGaO3",
"formula_anonymous": "ABC3",
"energy": -37.30941713,
"energy_per_atom": -7.461883426,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.24841713,
"band_gap": 2.895900000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.233000Z",
"spacegroup": 221
},
{
"id": "mp-867815",
"created_at": "2022-09-04T14:43:59.786173Z",
"structure_string": "Ac2 Ga6\n1.0\n3.420561 -5.924586 0.000000\n3.420561 5.924586 0.000000\n0.000000 0.000000 4.704987\nAc Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.135606 0.271211 0.250000 Ga\n0.728789 0.864394 0.250000 Ga\n0.135606 0.864394 0.250000 Ga\n0.864394 0.728789 0.750000 Ga\n0.271211 0.135606 0.750000 Ga\n0.864394 0.135606 0.750000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Ga"
],
"chemical_system": "Ac-Ga",
"density": 7.596090276375485,
"density_atomic": 0.041951376540569255,
"volume": 190.69696061733674,
"volume_molar": 14.35504924177223,
"formula_full": "Ac2 Ga6",
"formula_reduced": "AcGa3",
"formula_anonymous": "AB3",
"energy": -30.66552448,
"energy_per_atom": -3.83319056,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.66552448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.355000Z",
"spacegroup": 194
},
{
"id": "mp-861502",
"created_at": "2022-09-04T14:41:26.021085Z",
"structure_string": "Ac1 Fe1 O3\n1.0\n4.014353 0.000000 0.000000\n0.000000 4.014353 0.000000\n0.000000 0.000000 4.014353\nAc Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Fe\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": [
"Ac",
"Fe",
"O"
],
"chemical_system": "Ac-Fe-O",
"density": 8.492286403675113,
"density_atomic": 0.07729000341376097,
"volume": 64.69141906014956,
"volume_molar": 7.791616630887352,
"formula_full": "Ac1 Fe1 O3",
"formula_reduced": "AcFeO3",
"formula_anonymous": "ABC3",
"energy": -41.29277656,
"energy_per_atom": -8.258555312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.97577656,
"band_gap": 0.9887999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.013000Z",
"spacegroup": 221
},
{
"id": "mp-985278",
"created_at": "2022-09-04T14:44:19.956369Z",
"structure_string": "Ac1 F3\n1.0\n-2.003344 2.003344 3.446736\n2.003344 -2.003344 3.446736\n2.003344 2.003344 -3.446736\nAc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"F"
],
"chemical_system": "Ac-F",
"density": 8.522775348689388,
"density_atomic": 0.07229044870960037,
"volume": 55.33234433318421,
"volume_molar": 8.33047915388059,
"formula_full": "Ac1 F3",
"formula_reduced": "AcF3",
"formula_anonymous": "AB3",
"energy": -27.51722717,
"energy_per_atom": -6.8793067925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.13122717,
"band_gap": 6.162600000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.482000Z",
"spacegroup": 139
},
{
"id": "mp-977360",
"created_at": "2022-09-04T14:48:17.511314Z",
"structure_string": "Ac1 F3\n1.0\n0.000000 3.021662 3.021662\n3.021662 0.000000 3.021662\n3.021662 3.021662 0.000000\nAc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"F"
],
"chemical_system": "Ac-F",
"density": 8.546582069007446,
"density_atomic": 0.07249237806050848,
"volume": 55.17821468984298,
"volume_molar": 8.307274393693353,
"formula_full": "Ac1 F3",
"formula_reduced": "AcF3",
"formula_anonymous": "AB3",
"energy": -27.49798723,
"energy_per_atom": -6.8744968075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.11198723,
"band_gap": 7.4101,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.250000Z",
"spacegroup": 225
},
{
"id": "mp-1183124",
"created_at": "2022-09-04T14:45:41.110944Z",
"structure_string": "Ac1 Eu1 Zn2\n1.0\n0.000000 3.872601 3.872601\n3.872601 0.000000 3.872601\n3.872601 3.872601 0.000000\nAc Eu Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Eu",
"Zn"
],
"chemical_system": "Ac-Eu-Zn",
"density": 7.287781425009125,
"density_atomic": 0.03443671654525668,
"volume": 116.15509262455979,
"volume_molar": 17.48755794439842,
"formula_full": "Ac1 Eu1 Zn2",
"formula_reduced": "AcEuZn2",
"formula_anonymous": "ABC2",
"energy": -17.97555775,
"energy_per_atom": -4.4938894375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.97555775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0725771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.427000Z",
"spacegroup": 225
},
{
"id": "mp-1183268",
"created_at": "2022-09-04T14:39:15.491757Z",
"structure_string": "Ac1 Eu1 Mg2\n1.0\n0.000000 4.083481 4.083481\n4.083481 0.000000 4.083481\n4.083481 4.083481 0.000000\nAc Eu Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Eu",
"Mg"
],
"chemical_system": "Ac-Eu-Mg",
"density": 5.213612783667666,
"density_atomic": 0.029372328590823844,
"volume": 136.18259742775834,
"volume_molar": 20.50276926930937,
"formula_full": "Ac1 Eu1 Mg2",
"formula_reduced": "AcEuMg2",
"formula_anonymous": "ABC2",
"energy": -17.88634191,
"energy_per_atom": -4.4715854775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.88634191,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.503727,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.071000Z",
"spacegroup": 225
},
{
"id": "mp-1006278",
"created_at": "2022-09-04T14:39:29.463171Z",
"structure_string": "Ac1 Eu1 Au2\n1.0\n0.000000 3.882859 3.882859\n3.882859 0.000000 3.882859\n3.882859 3.882859 0.000000\nAc Eu Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Eu\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Eu",
"Au"
],
"chemical_system": "Ac-Au-Eu",
"density": 10.961902643311035,
"density_atomic": 0.03416450520651206,
"volume": 117.08057751228792,
"volume_molar": 17.62689295102721,
"formula_full": "Ac1 Eu1 Au2",
"formula_reduced": "AcEuAu2",
"formula_anonymous": "ABC2",
"energy": -24.07651987,
"energy_per_atom": -6.0191299675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.07651987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1304189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.885000Z",
"spacegroup": 225
}
]
}