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=-nsites&page=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12167",
"results": [
{
"id": "mp-1183294",
"created_at": "2022-09-04T14:46:01.624232Z",
"structure_string": "Ba1 Dy1\n1.0\n3.880552 -0.000146 0.000000\n-1.940403 3.360573 0.000001\n0.000000 0.000002 6.480507\nBa Dy\n1 1\ndirect\n0.666676 0.333326 0.750000 Ba\n0.333324 0.666672 0.250000 Dy\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Dy"
],
"chemical_system": "Ba-Dy",
"density": 5.891331301919601,
"density_atomic": 0.0236659316047017,
"volume": 84.50966703557366,
"volume_molar": 25.446455523447828,
"formula_full": "Ba1 Dy1",
"formula_reduced": "BaDy",
"formula_anonymous": "AB",
"energy": -5.89873556,
"energy_per_atom": -2.94936778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.89873556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4973841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.791000Z",
"spacegroup": 187
},
{
"id": "mp-7245",
"created_at": "2022-09-04T14:45:52.698538Z",
"structure_string": "P2\n1.0\n-1.713534 1.861032 2.520878\n1.713534 -1.861032 2.520878\n1.713534 1.861032 -2.520878\nP\n2\ndirect\n0.199318 0.750000 0.449318 P\n0.800682 0.250000 0.550682 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1990031202063465,
"density_atomic": 0.06219731102802216,
"volume": 32.15573096237114,
"volume_molar": 9.682316904804464,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.63957907,
"energy_per_atom": -5.319789535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.63957907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.853000Z",
"spacegroup": 74
},
{
"id": "mp-1782",
"created_at": "2022-09-04T14:46:00.730695Z",
"structure_string": "Sc1 Se1\n1.0\n0.000000 2.739877 2.739877\n2.739877 0.000000 2.739877\n2.739877 2.739877 0.000000\nSc Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Se"
],
"chemical_system": "Sc-Se",
"density": 5.002107021173253,
"density_atomic": 0.04861908709270466,
"volume": 41.136107639917036,
"volume_molar": 12.386371526304588,
"formula_full": "Sc1 Se1",
"formula_reduced": "ScSe",
"formula_anonymous": "AB",
"energy": -13.47815437,
"energy_per_atom": -6.739077185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.00615437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026589,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.867000Z",
"spacegroup": 225
},
{
"id": "mp-11843",
"created_at": "2022-09-04T14:45:59.790112Z",
"structure_string": "Dy1 Al1\n1.0\n3.597024 0.000000 0.000000\n0.000000 3.597024 0.000000\n0.000000 0.000000 3.597024\nDy Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 6.760611712356032,
"density_atomic": 0.04297342703716289,
"volume": 46.54038874466364,
"volume_molar": 14.013638602274208,
"formula_full": "Dy1 Al1",
"formula_reduced": "DyAl",
"formula_anonymous": "AB",
"energy": -9.13589895,
"energy_per_atom": -4.567949475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.13589895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.296000Z",
"spacegroup": 221
},
{
"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-832",
"created_at": "2022-09-04T14:46:06.556879Z",
"structure_string": "Ho1 Pd1\n1.0\n3.496938 0.000000 0.000000\n0.000000 3.496938 0.000000\n0.000000 0.000000 3.496938\nHo Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Pd"
],
"chemical_system": "Ho-Pd",
"density": 10.536967445176872,
"density_atomic": 0.04676987383712791,
"volume": 42.76256991765317,
"volume_molar": 12.876110765172449,
"formula_full": "Ho1 Pd1",
"formula_reduced": "HoPd",
"formula_anonymous": "AB",
"energy": -11.58904042,
"energy_per_atom": -5.79452021,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.58904042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023335,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.528000Z",
"spacegroup": 221
},
{
"id": "mp-1215201",
"created_at": "2022-09-04T14:46:17.885973Z",
"structure_string": "Zr1 Sc1\n1.0\n1.635056 -2.832000 0.000000\n1.635056 2.832000 0.000000\n0.000000 0.000000 5.154199\nZr Sc\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Sc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Sc"
],
"chemical_system": "Sc-Zr",
"density": 4.737454893620727,
"density_atomic": 0.04189989522594796,
"volume": 47.73281625681562,
"volume_molar": 14.372686918487998,
"formula_full": "Zr1 Sc1",
"formula_reduced": "ZrSc",
"formula_anonymous": "AB",
"energy": -14.88408705,
"energy_per_atom": -7.442043525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.88408705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2519972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.049000Z",
"spacegroup": 187
},
{
"id": "mp-1002226",
"created_at": "2022-09-04T14:46:06.747713Z",
"structure_string": "Er1 As1\n1.0\n3.547401 0.000000 0.000000\n0.000000 3.547401 0.000000\n0.000000 0.000000 3.547401\nEr As\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"As"
],
"chemical_system": "As-Er",
"density": 9.008606059998552,
"density_atomic": 0.04480217966546314,
"volume": 44.64068522857492,
"volume_molar": 13.441624503466546,
"formula_full": "Er1 As1",
"formula_reduced": "ErAs",
"formula_anonymous": "AB",
"energy": -11.2718051,
"energy_per_atom": -5.63590255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.2718051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.839000Z",
"spacegroup": 221
},
{
"id": "mp-1519",
"created_at": "2022-09-04T14:46:07.931498Z",
"structure_string": "Ca1 Te1\n1.0\n0.000000 3.198614 3.198614\n3.198614 0.000000 3.198614\n3.198614 3.198614 0.000000\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.254119504496153,
"density_atomic": 0.03055726627797402,
"volume": 65.4508810377982,
"volume_molar": 19.707720923781782,
"formula_full": "Ca1 Te1",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy": -8.867579580000001,
"energy_per_atom": -4.4337897900000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.44557958,
"band_gap": 1.5535,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003154,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.369000Z",
"spacegroup": 225
},
{
"id": "mp-12581",
"created_at": "2022-09-04T14:46:10.958891Z",
"structure_string": "Cd1 Te1\n1.0\n3.094199 0.000000 0.000000\n0.000000 3.094199 0.000000\n0.000000 0.000000 6.372956\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 6.531949838797076,
"density_atomic": 0.032778765456657484,
"volume": 61.015110610085316,
"volume_molar": 18.372079229045163,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy": -4.432544,
"energy_per_atom": -2.216272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.010544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.598000Z",
"spacegroup": 123
},
{
"id": "mp-1009746",
"created_at": "2022-09-04T14:46:09.956357Z",
"structure_string": "Sc1 P1\n1.0\n0.000000 2.967240 2.967240\n2.967240 0.000000 2.967240\n2.967240 2.967240 0.000000\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 2.4130849576224254,
"density_atomic": 0.03827735987820205,
"volume": 52.250207599582836,
"volume_molar": 15.732905245195477,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy": -13.66505183,
"energy_per_atom": -6.832525915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.66505183,
"band_gap": 1.6192999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.458000Z",
"spacegroup": 216
},
{
"id": "mp-1094183",
"created_at": "2022-09-04T14:46:14.032772Z",
"structure_string": "Hf1 Mg1\n1.0\n0.000000 3.280508 3.280508\n3.280508 0.000000 3.280508\n3.280508 3.280508 0.000000\nHf Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 4.769282428137999,
"density_atomic": 0.028325442063529258,
"volume": 70.60790068216173,
"volume_molar": 21.2605358338039,
"formula_full": "Hf1 Mg1",
"formula_reduced": "HfMg",
"formula_anonymous": "AB",
"energy": -7.2205686,
"energy_per_atom": -3.6102843,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.2205686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.320299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.290000Z",
"spacegroup": 216
}
]
}