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_uncorrected&page=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12160",
"results": [
{
"id": "mp-11286",
"created_at": "2022-09-04T14:42:52.403090Z",
"structure_string": "Ca1 Hg1\n1.0\n3.811914 0.000000 0.000000\n0.000000 3.811914 0.000000\n0.000000 0.000000 3.811914\nCa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 7.215030383240868,
"density_atomic": 0.036107773838290606,
"volume": 55.389734325828016,
"volume_molar": 16.678238838457002,
"formula_full": "Ca1 Hg1",
"formula_reduced": "CaHg",
"formula_anonymous": "AB",
"energy": -3.413521,
"energy_per_atom": -1.7067605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.413521,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00029,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.075000Z",
"spacegroup": 221
},
{
"id": "mp-1223902",
"created_at": "2022-09-04T14:44:19.145515Z",
"structure_string": "Hg1 Te1\n1.0\n-3.045603 3.045603 1.559410\n3.045603 -3.045603 1.559410\n3.045603 3.045603 -1.559410\nHg Te\n1 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 9.419059751978796,
"density_atomic": 0.03456711275350816,
"volume": 57.858462587304835,
"volume_molar": 17.421590292897175,
"formula_full": "Hg1 Te1",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy": -3.83343425,
"energy_per_atom": -1.916717125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.41143425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.465000Z",
"spacegroup": 119
},
{
"id": "mp-975530",
"created_at": "2022-09-04T14:47:38.605938Z",
"structure_string": "Rb1 Al1\n1.0\n4.315756 0.000000 0.000000\n0.000000 4.315756 0.000000\n0.000000 0.000000 4.315756\nRb Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Al"
],
"chemical_system": "Al-Rb",
"density": 2.322925887102806,
"density_atomic": 0.02488051392063103,
"volume": 80.38419167626563,
"volume_molar": 24.2042458576646,
"formula_full": "Rb1 Al1",
"formula_reduced": "RbAl",
"formula_anonymous": "AB",
"energy": -3.40903703,
"energy_per_atom": -1.704518515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40903703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.637000Z",
"spacegroup": 221
},
{
"id": "mp-2564",
"created_at": "2022-09-04T14:46:24.792274Z",
"structure_string": "Sr1 Mg1\n1.0\n4.195784 0.000000 0.000000\n0.000000 4.195784 0.000000\n0.000000 0.000000 4.195784\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5161517672383327,
"density_atomic": 0.027076381721810882,
"volume": 73.86511316572764,
"volume_molar": 22.241305436867048,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -3.40542954,
"energy_per_atom": -1.70271477,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40542954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.667000Z",
"spacegroup": 221
},
{
"id": "mp-974990",
"created_at": "2022-09-04T14:41:37.368447Z",
"structure_string": "Rb3 Hg1\n1.0\n0.000000 5.026909 5.026909\n5.026909 0.000000 5.026909\n5.026909 5.026909 0.000000\nRb Hg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 2.986936289924527,
"density_atomic": 0.015744429381513044,
"volume": 254.058111797736,
"volume_molar": 38.24934276164457,
"formula_full": "Rb3 Hg1",
"formula_reduced": "Rb3Hg",
"formula_anonymous": "AB3",
"energy": -3.40456878,
"energy_per_atom": -0.851142195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40456878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.814000Z",
"spacegroup": 225
},
{
"id": "mp-1039447",
"created_at": "2022-09-04T14:39:47.248808Z",
"structure_string": "Ca1 Zn1\n1.0\n0.000000 3.088715 3.088715\n3.088715 0.000000 3.088715\n3.088715 3.088715 0.000000\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.9722444965601715,
"density_atomic": 0.033936456127496836,
"volume": 58.933672758467864,
"volume_molar": 17.745343642763547,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.39845178,
"energy_per_atom": -1.69922589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39845178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.199000Z",
"spacegroup": 225
},
{
"id": "mp-1012110",
"created_at": "2022-09-04T14:46:10.006807Z",
"structure_string": "Cs4\n1.0\n5.354405 0.000000 0.000000\n0.000000 8.731849 0.000000\n0.000000 0.000000 10.022037\nCs\n4\ndirect\n0.732089 0.750000 0.391224 Cs\n0.267911 0.250000 0.608776 Cs\n0.732089 0.250000 0.108776 Cs\n0.267911 0.750000 0.891224 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8839893745320324,
"density_atomic": 0.008536631902981455,
"volume": 468.5688741719065,
"volume_molar": 70.54469290044874,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.39635312,
"energy_per_atom": -0.84908828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39635312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.978000Z",
"spacegroup": 57
},
{
"id": "mp-1056059",
"created_at": "2022-09-04T14:47:21.082969Z",
"structure_string": "O1\n1.0\n1.784516 0.000000 0.000000\n0.000000 1.784516 0.000000\n0.000000 0.000000 3.089828\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.700085999486939,
"density_atomic": 0.10163067339171998,
"volume": 9.839549091106107,
"volume_molar": 5.925514964157105,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.39040623,
"energy_per_atom": -3.39040623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39040623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.913000Z",
"spacegroup": 123
},
{
"id": "mp-1183652",
"created_at": "2022-09-04T14:46:07.561044Z",
"structure_string": "Cd2 Hg6\n1.0\n3.373767 -5.843535 0.000000\n3.373767 5.843535 0.000000\n0.000000 0.000000 5.424366\nCd Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.167366 0.334733 0.250000 Hg\n0.665267 0.832634 0.250000 Hg\n0.167366 0.832634 0.250000 Hg\n0.832634 0.665267 0.750000 Hg\n0.334733 0.167366 0.750000 Hg\n0.832634 0.167366 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.089645640316572,
"density_atomic": 0.03740419140110736,
"volume": 213.8797739058505,
"volume_molar": 16.100176302225087,
"formula_full": "Cd2 Hg6",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -3.38188388,
"energy_per_atom": -0.422735485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.38188388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.048000Z",
"spacegroup": 194
},
{
"id": "mp-1095001",
"created_at": "2022-09-04T14:45:56.896512Z",
"structure_string": "Ca1 Zn1\n1.0\n4.443409 -1.958990 0.000000\n4.443409 1.958990 0.000000\n3.579738 0.000000 3.281310\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.066353862233497,
"density_atomic": 0.03501097686865912,
"volume": 57.1249413434775,
"volume_molar": 17.200721883858254,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.37075162,
"energy_per_atom": -1.68537581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.37075162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.618000Z",
"spacegroup": 166
},
{
"id": "mp-1065697",
"created_at": "2022-09-04T14:45:58.744371Z",
"structure_string": "O1\n1.0\n2.352226 0.000000 0.000000\n0.000000 2.352226 0.000000\n0.000000 0.000000 1.544743\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 3.1084112044634713,
"density_atomic": 0.11699994887126487,
"volume": 8.547012282033565,
"volume_molar": 5.147131103985495,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.36863,
"energy_per_atom": -3.36863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.712000Z",
"spacegroup": 123
},
{
"id": "mp-1038915",
"created_at": "2022-09-04T14:47:55.314236Z",
"structure_string": "Ca1 Zn1\n1.0\n1.959085 -3.393235 0.000000\n1.959085 3.393235 0.000000\n0.000000 0.000000 4.330628\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.0422853513239145,
"density_atomic": 0.034736167725103635,
"volume": 57.5768753717357,
"volume_molar": 17.336802400478486,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.36800022,
"energy_per_atom": -1.68400011,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36800022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.649000Z",
"spacegroup": 187
}
]
}