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&page=10194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10192",
"results": [
{
"id": "mp-1405591",
"created_at": "2022-09-04T14:41:44.937084Z",
"structure_string": "Mn2 Al2 O6\n1.0\n-4.862618 0.000000 0.000000\n2.311301 4.422012 0.000000\n-0.075554 -2.601934 -4.545643\nMn Al O\n2 2 6\ndirect\n0.354445 0.654471 0.059287 Mn\n0.645555 0.345529 0.940713 Mn\n0.148701 0.845138 0.454144 Al\n0.851299 0.154862 0.545856 Al\n0.784878 0.974729 0.259639 O\n0.081696 0.568427 0.281488 O\n0.447854 0.241374 0.256610 O\n0.552146 0.758626 0.743390 O\n0.918304 0.431573 0.718512 O\n0.215122 0.025271 0.740361 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Mn-O",
"density": 4.414304637970853,
"density_atomic": 0.10230918031366423,
"volume": 97.74293928796551,
"volume_molar": 5.886217386882625,
"formula_full": "Mn2 Al2 O6",
"formula_reduced": "MnAlO3",
"formula_anonymous": "ABC3",
"energy": -33.18865026,
"energy_per_atom": -3.318865026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.73065026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.810000Z",
"spacegroup": 2
},
{
"id": "mp-1147722",
"created_at": "2022-09-04T14:41:21.540320Z",
"structure_string": "Ca2 Cu1 S1 O2\n1.0\n-1.938462 1.938462 8.010780\n1.938462 -1.938462 8.010780\n1.938462 1.938462 -8.010780\nCa Cu S O\n2 1 1 2\ndirect\n0.316926 0.316926 0.000000 Ca\n0.683074 0.683074 0.000000 Ca\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 S\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"S",
"O"
],
"chemical_system": "Ca-Cu-O-S",
"density": 2.8653242680323427,
"density_atomic": 0.049831260210577,
"volume": 120.40634683219314,
"volume_molar": 12.085066150347453,
"formula_full": "Ca2 Cu1 S1 O2",
"formula_reduced": "Ca2CuSO2",
"formula_anonymous": "ABC2D2",
"energy": -33.18646304,
"energy_per_atom": -5.531077173333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.309463040000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7660437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.834000Z",
"spacegroup": 139
},
{
"id": "mp-3530",
"created_at": "2022-09-04T14:42:25.463684Z",
"structure_string": "Au1 O2 F6\n1.0\n5.509899 0.000000 0.000000\n-1.304725 5.420360 0.000000\n-1.015961 -0.283221 5.532278\nAu O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.432073 0.550253 0.539822 O\n0.567927 0.449747 0.460178 O\n0.710908 0.082773 0.794443 F\n0.289092 0.917227 0.205557 F\n0.045967 0.818014 0.723071 F\n0.954033 0.181986 0.276929 F\n0.222426 0.300964 0.920981 F\n0.777574 0.699036 0.079019 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 3.4467633726194453,
"density_atomic": 0.054471175078274404,
"volume": 165.22500179346437,
"volume_molar": 11.055646865238831,
"formula_full": "Au1 O2 F6",
"formula_reduced": "Au(OF3)2",
"formula_anonymous": "AB2C6",
"energy": -33.18358399,
"energy_per_atom": -3.687064887777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.08958399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.462000Z",
"spacegroup": 2
},
{
"id": "mp-1226642",
"created_at": "2022-09-04T14:42:17.024476Z",
"structure_string": "Ce1 Cu1 Si2 Ru1\n1.0\n-2.016370 2.016370 5.110711\n2.016370 -2.016370 5.110711\n2.016370 2.016370 -5.110711\nCe Cu Si Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.619339 0.619339 0.000000 Si\n0.380661 0.380661 0.000000 Si\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Cu",
"Si",
"Ru"
],
"chemical_system": "Ce-Cu-Ru-Si",
"density": 7.210374472659222,
"density_atomic": 0.060157286059786534,
"volume": 83.11545163508232,
"volume_molar": 10.010658981548758,
"formula_full": "Ce1 Cu1 Si2 Ru1",
"formula_reduced": "CeCuSi2Ru",
"formula_anonymous": "ABCD2",
"energy": -33.18098713,
"energy_per_atom": -6.636197426,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.32298713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4109809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.450000Z",
"spacegroup": 119
},
{
"id": "mp-1185687",
"created_at": "2022-09-04T14:45:57.396538Z",
"structure_string": "Mg1 Sc5\n1.0\n1.651606 -8.553506 0.000000\n1.651606 8.553506 0.000000\n0.000000 0.000000 5.232856\nMg Sc\n1 5\ndirect\n0.223448 0.776552 0.500000 Mg\n0.999144 0.000856 0.000000 Sc\n0.668450 0.331550 0.000000 Sc\n0.333201 0.666799 0.000000 Sc\n0.553551 0.446449 0.500000 Sc\n0.888875 0.111125 0.500000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.7975413178003943,
"density_atomic": 0.040581851248102804,
"volume": 147.84934189714915,
"volume_molar": 14.839492469633294,
"formula_full": "Mg1 Sc5",
"formula_reduced": "MgSc5",
"formula_anonymous": "AB5",
"energy": -33.18054301,
"energy_per_atom": -5.530090501666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.18054301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9278064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.911000Z",
"spacegroup": 38
},
{
"id": "mp-1205862",
"created_at": "2022-09-04T14:40:11.386608Z",
"structure_string": "Rb2 Sr2 I6\n1.0\n2.432273 -8.045275 0.000000\n2.432273 8.045275 0.000000\n0.000000 0.000000 12.274642\nRb Sr I\n2 2 6\ndirect\n0.248572 0.751428 0.250000 Rb\n0.751428 0.248572 0.750000 Rb\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.634659 0.365341 0.055420 I\n0.365341 0.634659 0.944580 I\n0.365341 0.634659 0.555420 I\n0.634659 0.365341 0.444580 I\n0.924637 0.075363 0.250000 I\n0.075363 0.924637 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sr",
"I"
],
"chemical_system": "I-Rb-Sr",
"density": 3.8286084272356327,
"density_atomic": 0.02081651182353231,
"volume": 480.38788077334664,
"volume_molar": 28.92963437415191,
"formula_full": "Rb2 Sr2 I6",
"formula_reduced": "RbSrI3",
"formula_anonymous": "ABC3",
"energy": -33.17850925,
"energy_per_atom": -3.3178509249999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.90450925,
"band_gap": 4.0221,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0033456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.412000Z",
"spacegroup": 63
},
{
"id": "mp-560236",
"created_at": "2022-09-04T14:43:40.934230Z",
"structure_string": "Mg2 F4\n1.0\n1.969444 5.229324 0.000000\n-1.969444 5.229324 0.000000\n0.000000 4.243429 5.266902\nMg F\n2 4\ndirect\n0.895403 0.895403 0.849133 Mg\n0.104597 0.104597 0.150867 Mg\n0.648799 0.648799 0.104055 F\n0.000000 0.000000 0.500000 F\n0.351201 0.351201 0.895945 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"F"
],
"chemical_system": "F-Mg",
"density": 1.9072398465790905,
"density_atomic": 0.05530658332476194,
"volume": 108.48618083615503,
"volume_molar": 10.888650858502334,
"formula_full": "Mg2 F4",
"formula_reduced": "MgF2",
"formula_anonymous": "AB2",
"energy": -33.17712476,
"energy_per_atom": -5.529520793333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.32912476,
"band_gap": 6.3851,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.278000Z",
"spacegroup": 12
},
{
"id": "mp-1074733",
"created_at": "2022-09-04T14:41:51.621843Z",
"structure_string": "Mg8 Si4\n1.0\n6.035141 0.000000 0.000000\n-1.812842 6.395968 0.000000\n-2.539064 -1.649757 6.050877\nMg Si\n8 4\ndirect\n0.025512 0.827116 0.907994 Mg\n0.795528 0.173612 0.726170 Mg\n0.300188 0.168623 0.754064 Mg\n0.793440 0.510645 0.118593 Mg\n0.298060 0.838762 0.420572 Mg\n0.546752 0.491557 0.563771 Mg\n0.295191 0.510316 0.084583 Mg\n0.995049 0.155176 0.256220 Mg\n0.117476 0.533202 0.636432 Si\n0.819913 0.824244 0.447770 Si\n0.522822 0.845689 0.886729 Si\n0.490179 0.121518 0.197109 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.181056638996724,
"density_atomic": 0.051377056372706974,
"volume": 233.56729340326237,
"volume_molar": 11.721459315055546,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.17640369,
"energy_per_atom": -2.7647003075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.46040369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.385000Z",
"spacegroup": 1
},
{
"id": "mp-4297",
"created_at": "2022-09-04T14:48:28.190299Z",
"structure_string": "U1 Ge2 Pd2\n1.0\n-2.086233 2.086233 5.299246\n2.086233 -2.086233 5.299246\n2.086233 2.086233 -5.299246\nU Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.614498 0.614498 0.000000 Ge\n0.385502 0.385502 0.000000 Ge\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-U",
"density": 10.73010960356996,
"density_atomic": 0.05419638394143569,
"volume": 92.25707761984586,
"volume_molar": 11.111702150659152,
"formula_full": "U1 Ge2 Pd2",
"formula_reduced": "U(GePd)2",
"formula_anonymous": "AB2C2",
"energy": -33.17627175,
"energy_per_atom": -6.635254349999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.17627175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.465101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:19.370000Z",
"spacegroup": 139
},
{
"id": "mp-1217969",
"created_at": "2022-09-04T14:44:27.212379Z",
"structure_string": "Sr1 Sm1 Cl2 F2\n1.0\n4.017548 0.000000 0.000000\n0.000000 4.017548 0.000000\n0.000000 0.000000 7.154313\nSr Sm Cl F\n1 1 2 2\ndirect\n0.500000 0.500000 0.795695 Sr\n0.000000 0.000000 0.227367 Sm\n0.500000 0.500000 0.344447 Cl\n0.000000 0.000000 0.631711 Cl\n0.500000 0.000000 0.000390 F\n0.000000 0.500000 0.000390 F\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"Sm",
"Cl",
"F"
],
"chemical_system": "Cl-F-Sm-Sr",
"density": 4.9881762078722645,
"density_atomic": 0.051959045618245096,
"volume": 115.47556212027762,
"volume_molar": 11.5901681571406,
"formula_full": "Sr1 Sm1 Cl2 F2",
"formula_reduced": "SrSm(ClF)2",
"formula_anonymous": "ABC2D2",
"energy": -33.17563471,
"energy_per_atom": -5.5292724516666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.023634710000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2289912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.130000Z",
"spacegroup": 99
},
{
"id": "mp-1028114",
"created_at": "2022-09-04T14:40:38.698617Z",
"structure_string": "Ca1 Mg14 Mo1\n1.0\n6.446874 0.000000 -0.000000\n-3.223437 5.583156 0.000000\n0.000000 0.000000 10.139046\nCa Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.176400 0.838199 0.125000 Mg\n0.162224 0.831111 0.625000 Mg\n0.661801 0.323600 0.125000 Mg\n0.668889 0.337776 0.625000 Mg\n0.661801 0.838199 0.125000 Mg\n0.668889 0.831111 0.625000 Mg\n0.329762 0.170238 0.392745 Mg\n0.329762 0.170238 0.857255 Mg\n0.329762 0.659524 0.392745 Mg\n0.329762 0.659524 0.857255 Mg\n0.840476 0.170238 0.392745 Mg\n0.840476 0.170238 0.857255 Mg\n0.833333 0.666667 0.368050 Mg\n0.833333 0.666667 0.881950 Mg\n0.166667 0.333333 0.625000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Mo"
],
"chemical_system": "Ca-Mg-Mo",
"density": 2.1671685955455335,
"density_atomic": 0.04384236205837429,
"volume": 364.9438408153435,
"volume_molar": 13.735894868031448,
"formula_full": "Ca1 Mg14 Mo1",
"formula_reduced": "CaMg14Mo",
"formula_anonymous": "ABC14",
"energy": -33.17275849,
"energy_per_atom": -2.073297405625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.17275849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1249207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.061000Z",
"spacegroup": 187
},
{
"id": "mp-1077378",
"created_at": "2022-09-04T14:39:43.936298Z",
"structure_string": "Cs2 Mn2 P2\n1.0\n3.881517 0.000000 0.000000\n0.000000 3.881517 0.000000\n0.000000 0.000000 11.650856\nCs Mn P\n2 2 2\ndirect\n0.000000 0.500000 0.709647 Cs\n0.500000 0.000000 0.290353 Cs\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.102632 P\n0.500000 0.000000 0.897368 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cs",
"Mn",
"P"
],
"chemical_system": "Cs-Mn-P",
"density": 4.139995287071977,
"density_atomic": 0.03418144596788004,
"volume": 175.53382632315027,
"volume_molar": 17.618156837656734,
"formula_full": "Cs2 Mn2 P2",
"formula_reduced": "CsMnP",
"formula_anonymous": "ABC",
"energy": -33.1726486,
"energy_per_atom": -5.528774766666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.1726486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0070674,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.415000Z",
"spacegroup": 129
}
]
}