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_uncorrected&page=10137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10135",
"results": [
{
"id": "mp-1028130",
"created_at": "2022-09-04T14:43:59.454168Z",
"structure_string": "Y1 Mg14 Cu1\n1.0\n6.476246 0.141726 0.000000\n-3.115384 5.396004 0.000000\n0.000000 0.000000 10.250695\nY Mg Cu\n1 14 1\ndirect\n0.131966 0.315983 0.125000 Y\n0.169034 0.334516 0.625000 Mg\n0.162193 0.831096 0.625000 Mg\n0.628394 0.302801 0.125000 Mg\n0.665468 0.337159 0.625000 Mg\n0.628394 0.825592 0.125000 Mg\n0.665468 0.828307 0.625000 Mg\n0.339128 0.168689 0.375049 Mg\n0.339128 0.168689 0.874951 Mg\n0.339128 0.670440 0.375049 Mg\n0.339128 0.670440 0.874951 Mg\n0.832781 0.166391 0.384320 Mg\n0.832781 0.166391 0.865680 Mg\n0.860861 0.680431 0.348570 Mg\n0.860861 0.680431 0.901430 Mg\n0.205288 0.852644 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 2.255533049107182,
"density_atomic": 0.04410809064870815,
"volume": 362.7452416253845,
"volume_molar": 13.653143156801729,
"formula_full": "Y1 Mg14 Cu1",
"formula_reduced": "YMg14Cu",
"formula_anonymous": "ABC14",
"energy": -32.83979904,
"energy_per_atom": -2.05248744,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83979904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.259000Z",
"spacegroup": 38
},
{
"id": "mp-22364",
"created_at": "2022-09-04T14:41:25.624023Z",
"structure_string": "Cr1 Pb1 O3\n1.0\n3.917057 0.000000 0.000000\n0.000000 3.917057 0.000000\n0.000000 0.000000 3.917057\nCr Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"Pb",
"O"
],
"chemical_system": "Cr-O-Pb",
"density": 8.487554511181017,
"density_atomic": 0.08319367903663694,
"volume": 60.100719885198174,
"volume_molar": 7.238699898519888,
"formula_full": "Cr1 Pb1 O3",
"formula_reduced": "CrPbO3",
"formula_anonymous": "ABC3",
"energy": -36.8995935,
"energy_per_atom": -7.3799187,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.8395935,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0004248,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.288000Z",
"spacegroup": 221
},
{
"id": "mp-1187347",
"created_at": "2022-09-04T14:47:02.716582Z",
"structure_string": "Tb1 Mg1 O3\n1.0\n3.856457 0.000000 0.000000\n0.000000 3.856457 0.000000\n0.000000 0.000000 3.856457\nTb Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"O"
],
"chemical_system": "Mg-O-Tb",
"density": 6.694606786001649,
"density_atomic": 0.0871775228709548,
"volume": 57.35423346911667,
"volume_molar": 6.907905342658475,
"formula_full": "Tb1 Mg1 O3",
"formula_reduced": "TbMgO3",
"formula_anonymous": "ABC3",
"energy": -34.89867822,
"energy_per_atom": -6.979735644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83767822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0010994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.512000Z",
"spacegroup": 221
},
{
"id": "mp-1206024",
"created_at": "2022-09-04T14:40:30.503890Z",
"structure_string": "Ho1 In1 Ni4\n1.0\n0.000000 3.513434 3.513434\n3.513434 0.000000 3.513434\n3.513434 3.513434 0.000000\nHo In Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ho\n0.000000 0.000000 0.000000 In\n0.625608 0.625608 0.625608 Ni\n0.625608 0.625608 0.123177 Ni\n0.625608 0.123177 0.625608 Ni\n0.123177 0.625608 0.625608 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"In",
"Ni"
],
"chemical_system": "Ho-In-Ni",
"density": 9.849803901283426,
"density_atomic": 0.0691712868976598,
"volume": 86.74119376840727,
"volume_molar": 8.706127976063058,
"formula_full": "Ho1 In1 Ni4",
"formula_reduced": "HoInNi4",
"formula_anonymous": "ABC4",
"energy": -32.83624349,
"energy_per_atom": -5.472707248333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83624349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.751000Z",
"spacegroup": 216
},
{
"id": "mp-1223249",
"created_at": "2022-09-04T14:40:35.450126Z",
"structure_string": "La2 Tl3 Sn3\n1.0\n4.866551 0.000000 0.000000\n0.000000 4.881292 0.000000\n0.000000 0.000000 9.673425\nLa Tl Sn\n2 3 3\ndirect\n0.000000 0.000000 0.257715 La\n0.000000 0.000000 0.742285 La\n0.000000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.500000 0.500000 0.255015 Sn\n0.500000 0.500000 0.744985 Sn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Tl",
"Sn"
],
"chemical_system": "La-Sn-Tl",
"density": 9.011785601014893,
"density_atomic": 0.034813978046383545,
"volume": 229.7927570742245,
"volume_molar": 17.298054109118322,
"formula_full": "La2 Tl3 Sn3",
"formula_reduced": "La2(TlSn)3",
"formula_anonymous": "A2B3C3",
"energy": -32.8339066,
"energy_per_atom": -4.104238325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.8339066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.100000Z",
"spacegroup": 47
},
{
"id": "mp-1027996",
"created_at": "2022-09-04T14:41:49.137490Z",
"structure_string": "Mg14 Nb1 Zn1\n1.0\n6.321837 0.000000 0.000000\n-3.160919 5.474871 -0.000000\n0.000000 0.000000 9.957576\nMg Nb Zn\n14 1 1\ndirect\n0.165861 0.832930 0.125000 Mg\n0.170032 0.835015 0.625000 Mg\n0.667070 0.334139 0.125000 Mg\n0.664985 0.329968 0.625000 Mg\n0.667070 0.832930 0.125000 Mg\n0.664985 0.835015 0.625000 Mg\n0.327664 0.172336 0.376096 Mg\n0.327664 0.172336 0.873904 Mg\n0.327664 0.655330 0.376096 Mg\n0.327664 0.655330 0.873904 Mg\n0.844670 0.172336 0.376096 Mg\n0.844670 0.172336 0.873904 Mg\n0.833333 0.666667 0.377170 Mg\n0.833333 0.666667 0.872830 Mg\n0.166667 0.333333 0.625000 Nb\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Zn"
],
"chemical_system": "Mg-Nb-Zn",
"density": 2.4022479009287063,
"density_atomic": 0.04642470665243038,
"volume": 344.64407324720025,
"volume_molar": 12.971844507464938,
"formula_full": "Mg14 Nb1 Zn1",
"formula_reduced": "Mg14NbZn",
"formula_anonymous": "ABC14",
"energy": -32.83198649,
"energy_per_atom": -2.051999155625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83198649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.975000Z",
"spacegroup": 187
},
{
"id": "mp-1207997",
"created_at": "2022-09-04T14:40:21.602404Z",
"structure_string": "U2 I2 N1\n1.0\n3.745555 0.000000 0.000000\n0.000000 3.745555 0.000000\n0.000000 0.000000 14.705412\nU I N\n2 2 1\ndirect\n0.500000 0.500000 0.135392 U\n0.500000 0.500000 0.864608 U\n0.500000 0.500000 0.668908 I\n0.500000 0.500000 0.331092 I\n0.500000 0.500000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"I",
"N"
],
"chemical_system": "I-N-U",
"density": 5.987404614419753,
"density_atomic": 0.02423597246470509,
"volume": 206.30490512734792,
"volume_molar": 24.847943563106696,
"formula_full": "U2 I2 N1",
"formula_reduced": "U2I2N",
"formula_anonymous": "AB2C2",
"energy": -33.95083855,
"energy_per_atom": -6.79016771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83183855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3623847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.086000Z",
"spacegroup": 123
},
{
"id": "mp-1113185",
"created_at": "2022-09-04T14:45:10.103316Z",
"structure_string": "Cs2 Ga1 Cu1 Cl6\n1.0\n0.000000 5.075905 5.075905\n5.075905 0.000000 5.075905\n5.075905 5.075905 0.000000\nCs Ga Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.756754 0.243246 0.243246 Cl\n0.243246 0.243246 0.756754 Cl\n0.243246 0.756754 0.756754 Cl\n0.243246 0.756754 0.243246 Cl\n0.756754 0.243246 0.756754 Cl\n0.756754 0.756754 0.243246 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ga",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cs-Cu-Ga",
"density": 3.884066263732703,
"density_atomic": 0.03823222280456732,
"volume": 261.55947173454365,
"volume_molar": 15.751479558966633,
"formula_full": "Cs2 Ga1 Cu1 Cl6",
"formula_reduced": "Cs2GaCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.51551611,
"energy_per_atom": -3.651551611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83151611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.512000Z",
"spacegroup": 225
},
{
"id": "mp-1026734",
"created_at": "2022-09-04T14:42:20.387167Z",
"structure_string": "Mg14 Sn1 C1\n1.0\n3.583255 -5.208111 0.000000\n3.583255 5.208111 0.000000\n0.000000 0.000000 9.906013\nMg Sn C\n14 1 1\ndirect\n0.859612 0.140388 0.000000 Mg\n0.358585 0.641415 0.000000 Mg\n0.424626 0.162460 0.500000 Mg\n0.342069 0.127250 0.000000 Mg\n0.837540 0.575374 0.500000 Mg\n0.872750 0.657931 0.000000 Mg\n0.177551 0.351336 0.253296 Mg\n0.177551 0.351336 0.746704 Mg\n0.648664 0.822449 0.253296 Mg\n0.648664 0.822449 0.746704 Mg\n0.670611 0.329389 0.236025 Mg\n0.670611 0.329389 0.763975 Mg\n0.159486 0.840514 0.280661 Mg\n0.159486 0.840514 0.719339 Mg\n0.886064 0.113936 0.500000 Sn\n0.106131 0.893869 0.500000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"C"
],
"chemical_system": "C-Mg-Sn",
"density": 2.1153127774017104,
"density_atomic": 0.04327460835669792,
"volume": 369.73182675894896,
"volume_molar": 13.916106901214533,
"formula_full": "Mg14 Sn1 C1",
"formula_reduced": "Mg14SnC",
"formula_anonymous": "ABC14",
"energy": -32.83139702,
"energy_per_atom": -2.05196231375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83139702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.496000Z",
"spacegroup": 38
},
{
"id": "mp-981662",
"created_at": "2022-09-04T14:48:25.961239Z",
"structure_string": "Yb1 U3\n1.0\n4.425951 0.000000 0.000000\n0.000000 4.425951 0.000000\n0.000000 0.000000 4.425951\nYb U\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"U"
],
"chemical_system": "U-Yb",
"density": 16.990844219712233,
"density_atomic": 0.046136026386083294,
"volume": 86.7001411549084,
"volume_molar": 13.053011348668184,
"formula_full": "Yb1 U3",
"formula_reduced": "YbU3",
"formula_anonymous": "AB3",
"energy": -32.83122581,
"energy_per_atom": -8.2078064525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83122581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1879107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.490000Z",
"spacegroup": 221
},
{
"id": "mp-1224565",
"created_at": "2022-09-04T14:40:34.893828Z",
"structure_string": "In1 Fe1 Cu2 Te4\n1.0\n6.124190 0.000000 0.000000\n0.000000 6.124190 0.000000\n3.062095 3.062095 6.129573\nIn Fe Cu Te\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.364689 0.902839 0.732106 Te\n0.903205 0.365055 0.732106 Te\n0.097161 0.096795 0.267894 Te\n0.634945 0.635311 0.267894 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Fe",
"Cu",
"Te"
],
"chemical_system": "Cu-Fe-In-Te",
"density": 5.837356642712805,
"density_atomic": 0.034798654595601886,
"volume": 229.89394541164532,
"volume_molar": 17.30567123925855,
"formula_full": "In1 Fe1 Cu2 Te4",
"formula_reduced": "InFe(CuTe2)2",
"formula_anonymous": "ABC2D4",
"energy": -34.518123460000005,
"energy_per_atom": -4.314765432500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.83012346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9800177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.762000Z",
"spacegroup": 82
},
{
"id": "mp-755714",
"created_at": "2022-09-04T14:47:00.711931Z",
"structure_string": "Sr1 Eu1 O2\n1.0\n6.057952 -1.818179 0.000000\n6.057952 1.818179 0.000000\n5.512260 0.000000 3.101539\nSr Eu O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Eu\n0.247866 0.247866 0.247866 O\n0.752134 0.752134 0.752134 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Eu",
"O"
],
"chemical_system": "Eu-O-Sr",
"density": 6.600573197908672,
"density_atomic": 0.05854506383795433,
"volume": 68.32343732806436,
"volume_molar": 10.286333919916048,
"formula_full": "Sr1 Eu1 O2",
"formula_reduced": "SrEuO2",
"formula_anonymous": "ABC2",
"energy": -34.20387127,
"energy_per_atom": -8.5509678175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.82987127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0108045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.727000Z",
"spacegroup": 166
}
]
}