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=12173",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12171",
"results": [
{
"id": "mp-571386",
"created_at": "2022-09-04T14:47:02.298162Z",
"structure_string": "Cu1 Cl1\n1.0\n0.000000 2.555898 2.555898\n2.555898 0.000000 2.555898\n2.555898 2.555898 0.000000\nCu Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 4.922881196929805,
"density_atomic": 0.059892086835046196,
"volume": 33.39339311232162,
"volume_molar": 10.054985688820762,
"formula_full": "Cu1 Cl1",
"formula_reduced": "CuCl",
"formula_anonymous": "AB",
"energy": -6.96681255,
"energy_per_atom": -3.483406275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.35281255,
"band_gap": 0.3260999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.175000Z",
"spacegroup": 225
},
{
"id": "mp-1058581",
"created_at": "2022-09-04T14:47:06.097477Z",
"structure_string": "Ba2\n1.0\n2.178574 -3.956087 0.000000\n2.178574 3.956087 0.000000\n0.000000 0.000000 7.368098\nBa\n2\ndirect\n0.649218 0.350782 0.750000 Ba\n0.350782 0.649218 0.250000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.5909675987597325,
"density_atomic": 0.01574731287496527,
"volume": 127.00579558430923,
"volume_molar": 38.242338917224835,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.80062987,
"energy_per_atom": -1.900314935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.80062987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003628,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.918000Z",
"spacegroup": 63
},
{
"id": "mp-1039170",
"created_at": "2022-09-04T14:47:10.777935Z",
"structure_string": "Mg1 Bi1\n1.0\n0.000000 3.058867 3.058867\n3.058867 0.000000 3.058867\n3.058867 3.058867 0.000000\nMg Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 6.767447242900896,
"density_atomic": 0.03493962322263373,
"volume": 57.24160181282119,
"volume_molar": 17.23584917223402,
"formula_full": "Mg1 Bi1",
"formula_reduced": "MgBi",
"formula_anonymous": "AB",
"energy": -5.561755,
"energy_per_atom": -2.7808775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.561755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.934000Z",
"spacegroup": 225
},
{
"id": "mp-22895",
"created_at": "2022-09-04T14:46:30.405563Z",
"structure_string": "Cu1 I1\n1.0\n0.000000 3.017726 3.017726\n3.017726 0.000000 3.017726\n3.017726 3.017726 0.000000\nCu I\n1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.753892405649441,
"density_atomic": 0.03638820108628822,
"volume": 54.96287093877907,
"volume_molar": 16.549707268352044,
"formula_full": "Cu1 I1",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy": -6.29588964,
"energy_per_atom": -3.14794482,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.91688964,
"band_gap": 1.1762999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003061,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.960000Z",
"spacegroup": 216
},
{
"id": "mp-1094477",
"created_at": "2022-09-04T14:46:34.076379Z",
"structure_string": "Mg1 Zn1\n1.0\n4.503313 -1.582605 0.000000\n4.503313 1.582605 0.000000\n3.947136 0.000000 2.684135\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.8937700512121878,
"density_atomic": 0.052274631258389145,
"volume": 38.25947599925032,
"volume_molar": 11.520197493566355,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -2.87920174,
"energy_per_atom": -1.43960087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.87920174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.431000Z",
"spacegroup": 166
},
{
"id": "mp-1183921",
"created_at": "2022-09-04T14:46:25.565744Z",
"structure_string": "Eu1 Er1\n1.0\n1.830050 -3.169739 0.000000\n1.830050 3.169739 0.000000\n0.000000 0.000000 6.054025\nEu Er\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.500000 Er\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"Er"
],
"chemical_system": "Er-Eu",
"density": 7.547143497996163,
"density_atomic": 0.028475367060993857,
"volume": 70.23614465499344,
"volume_molar": 21.148597477604607,
"formula_full": "Eu1 Er1",
"formula_reduced": "EuEr",
"formula_anonymous": "AB",
"energy": -14.62257239,
"energy_per_atom": -7.311286195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.62257239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7071004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.206000Z",
"spacegroup": 187
},
{
"id": "mp-1183937",
"created_at": "2022-09-04T14:46:30.346928Z",
"structure_string": "Cs1 Ho1\n1.0\n1.886128 -3.266869 0.000000\n1.886128 3.266869 0.000000\n0.000000 0.000000 7.556623\nCs Ho\n1 1\ndirect\n0.666667 0.333333 0.500000 Cs\n0.333333 0.666667 0.000000 Ho\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Ho"
],
"chemical_system": "Cs-Ho",
"density": 5.3108657321968495,
"density_atomic": 0.02147678957686846,
"volume": 93.12378802435614,
"volume_molar": 28.04022797935375,
"formula_full": "Cs1 Ho1",
"formula_reduced": "CsHo",
"formula_anonymous": "AB",
"energy": -3.96531815,
"energy_per_atom": -1.982659075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.96531815,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.031653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.762000Z",
"spacegroup": 187
},
{
"id": "mp-387",
"created_at": "2022-09-04T14:46:30.293763Z",
"structure_string": "Ce1 Sb1\n1.0\n0.000000 3.185131 3.185131\n3.185131 0.000000 3.185131\n3.185131 3.185131 0.000000\nCe Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Sb"
],
"chemical_system": "Ce-Sb",
"density": 6.728726926954054,
"density_atomic": 0.030946967804398155,
"volume": 64.62668693880121,
"volume_molar": 19.45955027989572,
"formula_full": "Ce1 Sb1",
"formula_reduced": "CeSb",
"formula_anonymous": "AB",
"energy": -12.37084957,
"energy_per_atom": -6.185424785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.17884957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9040693,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.612000Z",
"spacegroup": 225
},
{
"id": "mp-1009134",
"created_at": "2022-09-04T14:46:27.330547Z",
"structure_string": "Mn1 Fe1\n1.0\n2.459961 0.000000 0.000000\n0.000000 2.459961 0.000000\n0.000000 0.000000 3.480692\nMn Fe\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn",
"density": 8.733741964154095,
"density_atomic": 0.0949528395574085,
"volume": 21.06308783731317,
"volume_molar": 6.342243989827194,
"formula_full": "Mn1 Fe1",
"formula_reduced": "MnFe",
"formula_anonymous": "AB",
"energy": -17.44691875,
"energy_per_atom": -8.723459375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.44691875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9523276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.026000Z",
"spacegroup": 123
},
{
"id": "mp-19091",
"created_at": "2022-09-04T14:46:26.599489Z",
"structure_string": "Cr1 O1\n1.0\n0.000000 2.225498 2.225498\n2.225498 0.000000 2.225498\n2.225498 2.225498 0.000000\nCr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 5.121741419025951,
"density_atomic": 0.0907232030718368,
"volume": 22.045077028600414,
"volume_molar": 6.637927846563712,
"formula_full": "Cr1 O1",
"formula_reduced": "CrO",
"formula_anonymous": "AB",
"energy": -17.81026394,
"energy_per_atom": -8.90513197,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12426394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0025575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.531000Z",
"spacegroup": 225
},
{
"id": "mp-644481",
"created_at": "2022-09-04T14:46:20.607554Z",
"structure_string": "Sc1 O1\n1.0\n0.000000 2.239917 2.239917\n2.239917 0.000000 2.239917\n2.239917 2.239917 0.000000\nSc O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 4.50334150874125,
"density_atomic": 0.08898242195975499,
"volume": 22.47634932778702,
"volume_molar": 6.767786971143241,
"formula_full": "Sc1 O1",
"formula_reduced": "ScO",
"formula_anonymous": "AB",
"energy": -17.761409580000002,
"energy_per_atom": -8.880704790000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.07440958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011904,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.367000Z",
"spacegroup": 225
},
{
"id": "mp-1219533",
"created_at": "2022-09-04T14:46:29.484484Z",
"structure_string": "Re1 Ir1\n1.0\n1.387864 -2.403852 0.000000\n1.387864 2.403852 0.000000\n0.000000 0.000000 4.408738\nRe Ir\n1 1\ndirect\n0.000000 0.000000 0.500000 Re\n0.333333 0.666667 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"Ir"
],
"chemical_system": "Ir-Re",
"density": 21.361357429094866,
"density_atomic": 0.06798781330313966,
"volume": 29.41703671336699,
"volume_molar": 8.85767679149919,
"formula_full": "Re1 Ir1",
"formula_reduced": "ReIr",
"formula_anonymous": "AB",
"energy": -21.67981122,
"energy_per_atom": -10.83990561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.67981122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.184000Z",
"spacegroup": 187
}
]
}