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_per_atom&page=12114",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12112",
"results": [
{
"id": "mp-784",
"created_at": "2022-09-04T14:46:19.740892Z",
"structure_string": "K2 Zn26\n1.0\n0.000000 6.189921 6.189921\n6.189921 0.000000 6.189921\n6.189921 6.189921 0.000000\nK Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.439494 0.200600 0.799400 Zn\n0.939494 0.700600 0.060506 Zn\n0.700600 0.939494 0.299400 Zn\n0.299400 0.700600 0.939494 Zn\n0.939494 0.060506 0.299400 Zn\n0.700600 0.060506 0.939494 Zn\n0.299400 0.939494 0.060506 Zn\n0.799400 0.439494 0.200600 Zn\n0.200600 0.799400 0.439494 Zn\n0.439494 0.560506 0.200600 Zn\n0.439494 0.799400 0.560506 Zn\n0.200600 0.560506 0.799400 Zn\n0.560506 0.439494 0.799400 Zn\n0.560506 0.200600 0.439494 Zn\n0.799400 0.200600 0.560506 Zn\n0.060506 0.939494 0.700600 Zn\n0.060506 0.299400 0.939494 Zn\n0.939494 0.299400 0.700600 Zn\n0.060506 0.700600 0.299400 Zn\n0.299400 0.060506 0.700600 Zn\n0.700600 0.299400 0.060506 Zn\n0.200600 0.439494 0.560506 Zn\n0.799400 0.560506 0.439494 Zn\n0.560506 0.799400 0.200600 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 28,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 6.227279728914251,
"density_atomic": 0.0590299909719637,
"volume": 474.3351564003898,
"volume_molar": 10.201832425927723,
"formula_full": "K2 Zn26",
"formula_reduced": "KZn13",
"formula_anonymous": "AB13",
"energy": -36.85580488,
"energy_per_atom": -1.3162787457142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.85580488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.473000Z",
"spacegroup": 226
},
{
"id": "mp-1039222",
"created_at": "2022-09-04T14:42:56.146014Z",
"structure_string": "Mg3 Cd3\n1.0\n1.599098 5.854236 0.000000\n-1.599098 5.854236 0.000000\n0.000000 1.849754 7.076344\nMg Cd\n3 3\ndirect\n0.997957 0.997957 0.003660 Mg\n0.944615 0.944615 0.608783 Mg\n0.668245 0.668245 0.665764 Mg\n0.609495 0.609495 0.279936 Cd\n0.333858 0.333858 0.335537 Cd\n0.279162 0.279162 0.939654 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.140501105082672,
"density_atomic": 0.04528631797659588,
"volume": 132.4903473738099,
"volume_molar": 13.297925353772992,
"formula_full": "Mg3 Cd3",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -7.89692771,
"energy_per_atom": -1.3161546183333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.89692771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.890000Z",
"spacegroup": 8
},
{
"id": "mp-974948",
"created_at": "2022-09-04T14:45:09.653556Z",
"structure_string": "Rb3 In1\n1.0\n6.189033 0.000000 0.000000\n0.000000 6.189033 0.000000\n0.000000 0.000000 6.189033\nRb In\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"In"
],
"chemical_system": "In-Rb",
"density": 2.600241627411109,
"density_atomic": 0.01687297240481567,
"volume": 237.06552135759856,
"volume_molar": 35.69104847395612,
"formula_full": "Rb3 In1",
"formula_reduced": "Rb3In",
"formula_anonymous": "AB3",
"energy": -5.26448233,
"energy_per_atom": -1.3161205825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.26448233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.006000Z",
"spacegroup": 221
},
{
"id": "mp-1184002",
"created_at": "2022-09-04T14:40:06.280315Z",
"structure_string": "Cs1 Sr3\n1.0\n0.000000 4.998398 4.998398\n4.998398 0.000000 4.998398\n4.998398 4.998398 0.000000\nCs Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Sr"
],
"chemical_system": "Cs-Sr",
"density": 2.631264337383372,
"density_atomic": 0.016015389060256457,
"volume": 249.7597769838972,
"volume_molar": 37.60221332958093,
"formula_full": "Cs1 Sr3",
"formula_reduced": "CsSr3",
"formula_anonymous": "AB3",
"energy": -5.26170015,
"energy_per_atom": -1.3154250375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.26170015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.672000Z",
"spacegroup": 225
},
{
"id": "mp-974850",
"created_at": "2022-09-04T14:44:55.066344Z",
"structure_string": "Rb3 Nd1\n1.0\n0.000000 5.167148 5.167148\n5.167148 0.000000 5.167148\n5.167148 5.167148 0.000000\nRb Nd\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 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Nd"
],
"chemical_system": "Nd-Rb",
"density": 2.411162938473837,
"density_atomic": 0.014496971751880932,
"volume": 275.91969333050633,
"volume_molar": 41.54068079230856,
"formula_full": "Rb3 Nd1",
"formula_reduced": "Rb3Nd",
"formula_anonymous": "AB3",
"energy": -5.25953316,
"energy_per_atom": -1.31488329,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.25953316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4981497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.935000Z",
"spacegroup": 225
},
{
"id": "mp-973198",
"created_at": "2022-09-04T14:47:01.119809Z",
"structure_string": "Na3\n1.0\n9.071428 -1.878269 0.000000\n9.071428 1.878269 0.000000\n8.682526 0.000000 3.229929\nNa\n3\ndirect\n0.000000 0.000000 0.000000 Na\n0.777797 0.777797 0.777797 Na\n0.222203 0.222203 0.222203 Na\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0405154780169257,
"density_atomic": 0.027256170331353812,
"volume": 110.06682022928898,
"volume_molar": 22.094596147546458,
"formula_full": "Na3",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -3.943956650000001,
"energy_per_atom": -1.314652216666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.943956650000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.399000Z",
"spacegroup": 166
},
{
"id": "mp-1094485",
"created_at": "2022-09-04T14:46:13.826462Z",
"structure_string": "Mg1 Zn5\n1.0\n1.432634 5.266112 0.000000\n-1.432634 5.266112 0.000000\n0.000000 1.729234 6.347907\nMg Zn\n1 5\ndirect\n0.612679 0.612679 0.274267 Mg\n0.997649 0.997649 0.994901 Zn\n0.335522 0.335522 0.336424 Zn\n0.940864 0.940864 0.619055 Zn\n0.666595 0.666595 0.668564 Zn\n0.280024 0.280024 0.940123 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 6.091204199119078,
"density_atomic": 0.06264196231280722,
"volume": 95.78244005254115,
"volume_molar": 9.613588938877744,
"formula_full": "Mg1 Zn5",
"formula_reduced": "MgZn5",
"formula_anonymous": "AB5",
"energy": -7.88738437,
"energy_per_atom": -1.3145640616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.88738437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.703000Z",
"spacegroup": 8
},
{
"id": "mp-729481",
"created_at": "2022-09-04T14:42:20.791115Z",
"structure_string": "Li2 Bi4 P6 O24\n1.0\n8.771530 0.000000 0.000000\n-4.374160 -7.620769 0.000000\n0.045014 5.031750 -8.264846\nLi Bi P O\n2 4 6 24\ndirect\n0.257943 0.439669 0.878346 Li\n0.742057 0.560331 0.121654 Li\n0.148139 0.429102 0.435203 Bi\n0.337287 0.627609 0.033438 Bi\n0.662713 0.372391 0.966562 Bi\n0.851861 0.570898 0.564797 Bi\n0.548524 0.970646 0.764319 P\n0.738718 0.704413 0.241220 P\n0.046860 0.300631 0.246044 P\n0.953140 0.699369 0.753956 P\n0.261282 0.295587 0.758780 P\n0.451476 0.029354 0.235681 P\n0.208002 0.970607 0.890502 O\n0.553986 0.857721 0.913975 O\n0.398368 0.167221 0.613660 O\n0.743327 0.096567 0.750180 O\n0.150092 0.583390 0.884472 O\n0.131285 0.488841 0.254078 O\n0.786178 0.560862 0.404903 O\n0.500319 0.709651 0.811596 O\n0.526703 0.644647 0.190101 O\n0.027368 0.992525 0.406885 O\n0.848282 0.602738 0.246204 O\n0.158247 0.318807 0.186354 O\n0.841753 0.681193 0.813646 O\n0.151718 0.397262 0.753796 O\n0.972632 0.007475 0.593115 O\n0.473297 0.355353 0.809899 O\n0.499681 0.290349 0.188404 O\n0.213822 0.439138 0.595097 O\n0.868715 0.511159 0.745922 O\n0.849908 0.416610 0.115528 O\n0.256673 0.903433 0.249820 O\n0.601632 0.832779 0.386340 O\n0.446014 0.142279 0.086025 O\n0.791998 0.029393 0.109498 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Bi",
"P",
"O"
],
"chemical_system": "Bi-Li-O-P",
"density": 4.266933668870258,
"density_atomic": 0.0651618768046562,
"volume": 552.4702750339994,
"volume_molar": 9.241816005474051,
"formula_full": "Li2 Bi4 P6 O24",
"formula_reduced": "LiBi2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -47.30155719,
"energy_per_atom": -1.3139321441666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.43755719000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8324803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.696000Z",
"spacegroup": 2
},
{
"id": "mp-10172",
"created_at": "2022-09-04T14:46:32.530236Z",
"structure_string": "Na2\n1.0\n1.879709 -3.255751 0.000000\n1.879709 3.255751 0.000000\n0.000000 0.000000 6.064977\nNa\n2\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0285200176169875,
"density_atomic": 0.026941950775017327,
"volume": 74.23367434308267,
"volume_molar": 22.35228180130222,
"formula_full": "Na2",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -2.62444601,
"energy_per_atom": -1.312223005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.62444601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.131000Z",
"spacegroup": 194
},
{
"id": "mp-975056",
"created_at": "2022-09-04T14:48:23.669779Z",
"structure_string": "Rb3 Al1\n1.0\n-3.117684 3.117684 5.663048\n3.117684 -3.117684 5.663048\n3.117684 3.117684 -5.663048\nRb Al\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Al"
],
"chemical_system": "Al-Rb",
"density": 2.1372308756677607,
"density_atomic": 0.018167098418034492,
"volume": 220.1782534534627,
"volume_molar": 33.148610864692714,
"formula_full": "Rb3 Al1",
"formula_reduced": "Rb3Al",
"formula_anonymous": "AB3",
"energy": -5.24876011,
"energy_per_atom": -1.3121900275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.24876011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8945076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.557000Z",
"spacegroup": 139
},
{
"id": "mp-974558",
"created_at": "2022-09-04T14:42:13.360169Z",
"structure_string": "Na1\n1.0\n0.000000 2.626732 2.626732\n2.626732 0.000000 2.626732\n2.626732 2.626732 0.000000\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.053189255791349,
"density_atomic": 0.027588158324862336,
"volume": 36.24743588261939,
"volume_molar": 21.828716107420878,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -1.31163779,
"energy_per_atom": -1.31163779,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.31163779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.821000Z",
"spacegroup": 225
},
{
"id": "mp-1186864",
"created_at": "2022-09-04T14:46:40.593029Z",
"structure_string": "Rb3 Pm1\n1.0\n-3.076330 3.076330 7.005089\n3.076330 -3.076330 7.005089\n3.076330 3.076330 -7.005089\nRb Pm\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Pm"
],
"chemical_system": "Pm-Rb",
"density": 2.513568088900781,
"density_atomic": 0.015084138147744383,
"volume": 265.17922076960974,
"volume_molar": 39.923664852542636,
"formula_full": "Rb3 Pm1",
"formula_reduced": "Rb3Pm",
"formula_anonymous": "AB3",
"energy": -5.2441867,
"energy_per_atom": -1.311046675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.2441867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8999632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.530000Z",
"spacegroup": 139
}
]
}