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_full&page=1722",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=1720",
"results": [
{
"id": "mp-1031136",
"created_at": "2022-09-04T14:42:22.737014Z",
"structure_string": "Ce1 Hf1 Mg6 O8\n1.0\n9.056713 -0.000000 0.000000\n-0.000000 4.486187 0.000000\n0.000000 0.000000 4.486187\nCe Hf Mg O\n1 1 6 8\ndirect\n0.000000 0.000000 -0.000000 Ce\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.270472 -0.000000 0.500000 Mg\n0.729528 0.000000 0.500000 Mg\n0.270472 0.500000 -0.000000 Mg\n0.729528 0.500000 0.000000 Mg\n0.273304 0.000000 0.000000 O\n0.726696 -0.000000 -0.000000 O\n0.263787 0.500000 0.500000 O\n0.736213 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ce",
"Hf",
"Mg",
"O"
],
"chemical_system": "Ce-Hf-Mg-O",
"density": 5.397114964970915,
"density_atomic": 0.08777980910712166,
"volume": 182.27426287148197,
"volume_molar": 6.8605079246081635,
"formula_full": "Ce1 Hf1 Mg6 O8",
"formula_reduced": "CeHfMg6O8",
"formula_anonymous": "ABC6D8",
"energy": -109.13796799,
"energy_per_atom": -6.821122999375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.64196799,
"band_gap": 0.0949000000000008,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.6794767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.070000Z",
"spacegroup": 123
},
{
"id": "mp-1031221",
"created_at": "2022-09-04T14:42:20.208784Z",
"structure_string": "Ce1 Hf1 Mg6 O8\n1.0\n9.125022 0.000000 0.000000\n0.000000 4.549402 0.000000\n0.000000 0.000000 4.549402\nCe Hf Mg O\n1 1 6 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260342 -0.000000 0.500000 Mg\n0.739658 0.000000 0.500000 Mg\n0.260342 0.500000 -0.000000 Mg\n0.739658 0.500000 0.000000 Mg\n0.263985 -0.000000 0.000000 O\n0.736015 0.000000 -0.000000 O\n0.253021 0.500000 0.500000 O\n0.746979 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ce",
"Hf",
"Mg",
"O"
],
"chemical_system": "Ce-Hf-Mg-O",
"density": 5.208881423652558,
"density_atomic": 0.08471833933452587,
"volume": 188.86111467342474,
"volume_molar": 7.1084263540866575,
"formula_full": "Ce1 Hf1 Mg6 O8",
"formula_reduced": "CeHfMg6O8",
"formula_anonymous": "ABC6D8",
"energy": -107.04908604,
"energy_per_atom": -6.6905678775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.55308604,
"band_gap": 0.0954999999999994,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.4994062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.739000Z",
"spacegroup": 123
},
{
"id": "mp-702",
"created_at": "2022-09-04T14:39:47.104817Z",
"structure_string": "Ce1 Hg1\n1.0\n3.829011 0.000000 0.000000\n0.000000 3.829011 0.000000\n0.000000 0.000000 3.829011\nCe Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg",
"density": 10.077876622969242,
"density_atomic": 0.035626253489171034,
"volume": 56.13837561134293,
"volume_molar": 16.90365999846291,
"formula_full": "Ce1 Hg1",
"formula_reduced": "CeHg",
"formula_anonymous": "AB",
"energy": -6.80734234,
"energy_per_atom": -3.40367117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.80734234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3290964,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.826000Z",
"spacegroup": 221
},
{
"id": "mp-1184341",
"created_at": "2022-09-04T14:43:57.797083Z",
"structure_string": "Ce1 Hg1 Au2\n1.0\n0.000000 3.646265 3.646265\n3.646265 0.000000 3.646265\n3.646265 3.646265 0.000000\nCe Hg Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Hg",
"Au"
],
"chemical_system": "Au-Ce-Hg",
"density": 12.581965132559866,
"density_atomic": 0.041255828159741846,
"volume": 96.95599818071933,
"volume_molar": 14.597066714264894,
"formula_full": "Ce1 Hg1 Au2",
"formula_reduced": "CeHgAu2",
"formula_anonymous": "ABC2",
"energy": -14.83093659,
"energy_per_atom": -3.7077341475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.83093659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.886018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.578000Z",
"spacegroup": 225
},
{
"id": "mp-30506",
"created_at": "2022-09-04T14:42:22.400879Z",
"structure_string": "Ce1 Hg2\n1.0\n2.546090 -4.409958 0.000000\n2.546090 4.409958 0.000000\n0.000000 0.000000 3.402347\nCe Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg",
"density": 11.764327622498632,
"density_atomic": 0.039264895868762695,
"volume": 76.40412469262803,
"volume_molar": 15.337213118119926,
"formula_full": "Ce1 Hg2",
"formula_reduced": "CeHg2",
"formula_anonymous": "AB2",
"energy": -7.65084678,
"energy_per_atom": -2.55028226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.65084678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.33797,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.194000Z",
"spacegroup": 191
},
{
"id": "mp-1183753",
"created_at": "2022-09-04T14:40:16.842944Z",
"structure_string": "Ce1 Ho1 In2\n1.0\n0.000000 3.796543 3.796543\n3.796543 0.000000 3.796543\n3.796543 3.796543 0.000000\nCe Ho In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Ho",
"In"
],
"chemical_system": "Ce-Ho-In",
"density": 8.1124112061708,
"density_atomic": 0.036548118668629136,
"volume": 109.444757916729,
"volume_molar": 16.47729344046666,
"formula_full": "Ce1 Ho1 In2",
"formula_reduced": "CeHoIn2",
"formula_anonymous": "ABC2",
"energy": -17.61945342,
"energy_per_atom": -4.404863355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.61945342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8905124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.209000Z",
"spacegroup": 225
},
{
"id": "mp-1183859",
"created_at": "2022-09-04T14:46:30.720522Z",
"structure_string": "Ce1 Ho1 Mg2\n1.0\n0.000000 3.816788 3.816788\n3.816788 0.000000 3.816788\n3.816788 3.816788 0.000000\nCe Ho Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ho\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Ho",
"Mg"
],
"chemical_system": "Ce-Ho-Mg",
"density": 5.280881362199867,
"density_atomic": 0.035969622611034695,
"volume": 111.20494766528041,
"volume_molar": 16.7422962012188,
"formula_full": "Ce1 Ho1 Mg2",
"formula_reduced": "CeHoMg2",
"formula_anonymous": "ABC2",
"energy": -13.754633,
"energy_per_atom": -3.43865825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.754633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9897849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.074000Z",
"spacegroup": 225
},
{
"id": "mp-1183730",
"created_at": "2022-09-04T14:43:48.475006Z",
"structure_string": "Ce1 Ho1 Zn2\n1.0\n0.000000 3.593660 3.593660\n3.593660 0.000000 3.593660\n3.593660 3.593660 0.000000\nCe Ho Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Ho",
"Zn"
],
"chemical_system": "Ce-Ho-Zn",
"density": 7.797573261373882,
"density_atomic": 0.04309422141517204,
"volume": 92.81986931527979,
"volume_molar": 13.974357958535494,
"formula_full": "Ce1 Ho1 Zn2",
"formula_reduced": "CeHoZn2",
"formula_anonymous": "ABC2",
"energy": -14.10994938,
"energy_per_atom": -3.527487345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.10994938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0135371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.170000Z",
"spacegroup": 225
},
{
"id": "mp-1183834",
"created_at": "2022-09-04T14:39:28.408794Z",
"structure_string": "Ce1 Ho3\n1.0\n5.022379 0.000000 0.000000\n0.000000 5.022379 0.000000\n0.000000 0.000000 5.022379\nCe Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Ho"
],
"chemical_system": "Ce-Ho",
"density": 8.322057996161982,
"density_atomic": 0.031574140994195574,
"volume": 126.68594850245773,
"volume_molar": 19.073015354897795,
"formula_full": "Ce1 Ho3",
"formula_reduced": "CeHo3",
"formula_anonymous": "AB3",
"energy": -19.40645982,
"energy_per_atom": -4.851614955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.40645982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7581931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.833000Z",
"spacegroup": 221
},
{
"id": "mp-1226677",
"created_at": "2022-09-04T14:43:02.942084Z",
"structure_string": "Ce1 Ho4 S7\n1.0\n1.907577 6.518640 0.000000\n-1.907577 6.518640 0.000000\n0.000000 2.966085 11.224583\nCe Ho S\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Ce\n0.112403 0.112403 0.577165 Ho\n0.887597 0.887597 0.422835 Ho\n0.300354 0.300354 0.811133 Ho\n0.699646 0.699646 0.188867 Ho\n0.261086 0.261086 0.354354 S\n0.738914 0.738914 0.645646 S\n0.665022 0.665022 0.945050 S\n0.334978 0.334978 0.054950 S\n0.955533 0.955533 0.779298 S\n0.044467 0.044467 0.220702 S\n0.500000 0.500000 0.500000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Ho",
"S"
],
"chemical_system": "Ce-Ho-S",
"density": 6.093035534634265,
"density_atomic": 0.042987477353159116,
"volume": 279.15106302738485,
"volume_molar": 14.009058290454528,
"formula_full": "Ce1 Ho4 S7",
"formula_reduced": "CeHo4S7",
"formula_anonymous": "AB4C7",
"energy": -81.03076438,
"energy_per_atom": -6.752563698333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.50976438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1935225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.497000Z",
"spacegroup": 12
},
{
"id": "mp-672191",
"created_at": "2022-09-04T14:47:28.933663Z",
"structure_string": "Ce1 In1 Ag2\n1.0\n0.000000 3.571315 3.571315\n3.571315 0.000000 3.571315\n3.571315 3.571315 0.000000\nCe In Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"In",
"Ag"
],
"chemical_system": "Ag-Ce-In",
"density": 8.57929329408748,
"density_atomic": 0.04390818870799901,
"volume": 91.09918030554735,
"volume_molar": 13.715302173015647,
"formula_full": "Ce1 In1 Ag2",
"formula_reduced": "CeInAg2",
"formula_anonymous": "ABC2",
"energy": -15.45051974,
"energy_per_atom": -3.862629935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.45051974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8614497,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.823000Z",
"spacegroup": 225
},
{
"id": "mp-636232",
"created_at": "2022-09-04T14:47:23.268312Z",
"structure_string": "Ce1 In1 Au2\n1.0\n0.000000 3.573493 3.573493\n3.573493 0.000000 3.573493\n3.573493 3.573493 0.000000\nCe In Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"In",
"Au"
],
"chemical_system": "Au-Ce-In",
"density": 11.805817745948907,
"density_atomic": 0.04382795312872176,
"volume": 91.26595504590611,
"volume_molar": 13.740410697056971,
"formula_full": "Ce1 In1 Au2",
"formula_reduced": "CeInAu2",
"formula_anonymous": "ABC2",
"energy": -17.77725832,
"energy_per_atom": -4.44431458,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.77725832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6861456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:05.809000Z",
"spacegroup": 225
}
]
}