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=10374",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10372",
"results": [
{
"id": "mp-33031",
"created_at": "2022-09-04T14:43:09.875075Z",
"structure_string": "V2 S2\n1.0\n1.584901 -2.745129 0.000000\n1.584901 2.745129 0.000000\n0.000000 0.000000 6.127127\nV S\n2 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 5.170581881981481,
"density_atomic": 0.07502538214515445,
"volume": 53.31528991429926,
"volume_molar": 8.026804513102961,
"formula_full": "V2 S2",
"formula_reduced": "VS",
"formula_anonymous": "AB",
"energy": -30.96099451,
"energy_per_atom": -7.7402486275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95499451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.688000Z",
"spacegroup": 194
},
{
"id": "mp-3022",
"created_at": "2022-09-04T14:46:55.097568Z",
"structure_string": "Tb1 B1 Pd3\n1.0\n4.327708 0.000000 0.000000\n0.000000 4.327708 0.000000\n0.000000 0.000000 4.327708\nTb B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"B",
"Pd"
],
"chemical_system": "B-Pd-Tb",
"density": 10.017996233431402,
"density_atomic": 0.06168735561290223,
"volume": 81.0538877914589,
"volume_molar": 9.762358428508222,
"formula_full": "Tb1 B1 Pd3",
"formula_reduced": "TbBPd3",
"formula_anonymous": "ABC3",
"energy": -29.9543884,
"energy_per_atom": -5.99087768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.9543884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.349000Z",
"spacegroup": 221
},
{
"id": "mp-1114108",
"created_at": "2022-09-04T14:43:05.253740Z",
"structure_string": "Rb3 Bi1 Br6\n1.0\n0.000000 6.122086 6.122086\n6.122086 0.000000 6.122086\n6.122086 6.122086 0.000000\nRb Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.765814 0.234186 0.234186 Br\n0.234186 0.234186 0.765814 Br\n0.234186 0.765814 0.765814 Br\n0.234186 0.765814 0.234186 Br\n0.765814 0.234186 0.765814 Br\n0.765814 0.765814 0.234186 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Rb",
"density": 3.418725990271993,
"density_atomic": 0.021790727320840416,
"volume": 458.9107950718152,
"volume_molar": 27.63625404205985,
"formula_full": "Rb3 Bi1 Br6",
"formula_reduced": "Rb3BiBr6",
"formula_anonymous": "AB3C6",
"energy": -33.1572028,
"energy_per_atom": -3.31572028,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.9532028,
"band_gap": 3.4159,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0018219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.005000Z",
"spacegroup": 225
},
{
"id": "mp-1209825",
"created_at": "2022-09-04T14:40:06.822719Z",
"structure_string": "Nd3 Mg3 Ag3\n1.0\n3.928043 -6.803570 0.000000\n3.928043 6.803570 0.000000\n0.000000 0.000000 4.267442\nNd Mg Ag\n3 3 3\ndirect\n0.587413 0.000000 0.000000 Nd\n0.000000 0.587413 0.000000 Nd\n0.412587 0.412587 0.000000 Nd\n0.243957 0.000000 0.500000 Mg\n0.000000 0.243957 0.500000 Mg\n0.756043 0.756043 0.500000 Mg\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Nd",
"density": 6.037005334366603,
"density_atomic": 0.03945770265707924,
"volume": 228.09234684080826,
"volume_molar": 15.262269099489874,
"formula_full": "Nd3 Mg3 Ag3",
"formula_reduced": "NdMgAg",
"formula_anonymous": "ABC",
"energy": -29.95301223,
"energy_per_atom": -3.3281124699999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95301223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0613078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.797000Z",
"spacegroup": 189
},
{
"id": "mp-1028244",
"created_at": "2022-09-04T14:41:52.232606Z",
"structure_string": "Mg14 Al1 Cu1\n1.0\n6.206855 0.000000 0.000000\n-3.103427 5.375293 0.000000\n0.000000 -0.000000 10.222546\nMg Al Cu\n14 1 1\ndirect\n0.165710 0.832855 0.125000 Mg\n0.164753 0.832376 0.625000 Mg\n0.667145 0.334290 0.125000 Mg\n0.667624 0.335247 0.625000 Mg\n0.667145 0.832855 0.125000 Mg\n0.667624 0.832376 0.625000 Mg\n0.329511 0.170489 0.377667 Mg\n0.329511 0.170489 0.872333 Mg\n0.329511 0.659022 0.377667 Mg\n0.329511 0.659022 0.872333 Mg\n0.840978 0.170489 0.377667 Mg\n0.840978 0.170489 0.872333 Mg\n0.833333 0.666667 0.374712 Mg\n0.833333 0.666667 0.875288 Mg\n0.166667 0.333333 0.125000 Al\n0.166667 0.333333 0.625000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mg",
"density": 2.0974397547949115,
"density_atomic": 0.04691234767741032,
"volume": 341.06159235566184,
"volume_molar": 12.8370057312221,
"formula_full": "Mg14 Al1 Cu1",
"formula_reduced": "Mg14AlCu",
"formula_anonymous": "ABC14",
"energy": -29.95168684,
"energy_per_atom": -1.8719804275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95168684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.678000Z",
"spacegroup": 187
},
{
"id": "mp-972639",
"created_at": "2022-09-04T14:39:36.954399Z",
"structure_string": "Sm1 Dy1 Ir2\n1.0\n0.000000 3.469344 3.469344\n3.469344 0.000000 3.469344\n3.469344 3.469344 0.000000\nSm Dy Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Dy",
"Ir"
],
"chemical_system": "Dy-Ir-Sm",
"density": 13.864140080907314,
"density_atomic": 0.047894749194706744,
"volume": 83.51646197663092,
"volume_molar": 12.573697245011482,
"formula_full": "Sm1 Dy1 Ir2",
"formula_reduced": "SmDyIr2",
"formula_anonymous": "ABC2",
"energy": -29.95150332,
"energy_per_atom": -7.48787583,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95150332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.617000Z",
"spacegroup": 225
},
{
"id": "mp-1183162",
"created_at": "2022-09-04T14:46:11.312397Z",
"structure_string": "Al1 Fe3\n1.0\n3.649008 0.000000 0.000000\n0.000000 3.649008 0.000000\n0.000000 0.000000 3.649008\nAl Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 6.647849572889001,
"density_atomic": 0.08232572136275601,
"volume": 48.5874880145246,
"volume_molar": 7.315017299957002,
"formula_full": "Al1 Fe3",
"formula_reduced": "AlFe3",
"formula_anonymous": "AB3",
"energy": -29.95121216,
"energy_per_atom": -7.48780304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95121216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8925326,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.597000Z",
"spacegroup": 221
},
{
"id": "mp-1187726",
"created_at": "2022-09-04T14:42:06.860443Z",
"structure_string": "Th1 In1 Ru2\n1.0\n0.000000 3.399121 3.399121\n3.399121 0.000000 3.399121\n3.399121 3.399121 0.000000\nTh In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"In",
"Ru"
],
"chemical_system": "In-Ru-Th",
"density": 11.606157386328432,
"density_atomic": 0.05092489260293589,
"volume": 78.5470483205181,
"volume_molar": 11.82553453171704,
"formula_full": "Th1 In1 Ru2",
"formula_reduced": "ThInRu2",
"formula_anonymous": "ABC2",
"energy": -29.94847759,
"energy_per_atom": -7.4871193975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.94847759,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.873000Z",
"spacegroup": 225
},
{
"id": "mp-1025257",
"created_at": "2022-09-04T14:44:17.273144Z",
"structure_string": "Tm1 Ga5 Co1\n1.0\n4.214902 0.000000 0.000000\n0.000000 4.214902 0.000000\n0.000000 0.000000 6.787781\nTm Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.309320 Ga\n0.000000 0.500000 0.690680 Ga\n0.500000 0.000000 0.309320 Ga\n0.500000 0.000000 0.690680 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tm",
"density": 7.9383888703946015,
"density_atomic": 0.058049068542097335,
"volume": 120.58763690451953,
"volume_molar": 10.374224619354106,
"formula_full": "Tm1 Ga5 Co1",
"formula_reduced": "TmGa5Co",
"formula_anonymous": "ABC5",
"energy": -29.9466613,
"energy_per_atom": -4.278094471428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.9466613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008842,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.403000Z",
"spacegroup": 123
},
{
"id": "mp-981550",
"created_at": "2022-09-04T14:44:15.292761Z",
"structure_string": "Rb1 Tm1 O3\n1.0\n4.455645 0.000000 0.000000\n0.000000 4.455645 0.000000\n0.000000 0.000000 4.455645\nRb Tm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Tm\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": [
"Rb",
"Tm",
"O"
],
"chemical_system": "O-Rb-Tm",
"density": 5.676745723585779,
"density_atomic": 0.05652469920238419,
"volume": 88.45690592881743,
"volume_molar": 10.653998773948343,
"formula_full": "Rb1 Tm1 O3",
"formula_reduced": "RbTmO3",
"formula_anonymous": "ABC3",
"energy": -32.00723337,
"energy_per_atom": -6.401446674000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.94623337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.273000Z",
"spacegroup": 221
},
{
"id": "mp-680731",
"created_at": "2022-09-04T14:45:53.249026Z",
"structure_string": "Tl4 Te6\n1.0\n3.477967 6.010854 0.000000\n-3.477967 6.010854 0.000000\n0.000000 5.250768 8.830820\nTl Te\n4 6\ndirect\n0.333523 0.204466 0.532235 Tl\n0.204466 0.333523 0.032235 Tl\n0.956397 0.734075 0.305615 Tl\n0.734075 0.956397 0.805615 Tl\n0.739785 0.300314 0.022681 Te\n0.300314 0.739785 0.522681 Te\n0.926895 0.174412 0.405577 Te\n0.174412 0.926895 0.905577 Te\n0.568481 0.611653 0.244892 Te\n0.611653 0.568481 0.744892 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 7.119899927575794,
"density_atomic": 0.027083658896037702,
"volume": 369.2263308434661,
"volume_molar": 22.235329366376824,
"formula_full": "Tl4 Te6",
"formula_reduced": "Tl2Te3",
"formula_anonymous": "A2B3",
"energy": -32.476995810000005,
"energy_per_atom": -3.2476995810000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.94499581,
"band_gap": 0.6477000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001765,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.470000Z",
"spacegroup": 9
},
{
"id": "mp-1184858",
"created_at": "2022-09-04T14:47:32.372388Z",
"structure_string": "In2 Cu6\n1.0\n2.754395 -4.770752 0.000000\n2.754395 4.770752 0.000000\n0.000000 0.000000 4.355320\nIn Cu\n2 6\ndirect\n0.666667 0.333333 0.250000 In\n0.333333 0.666667 0.750000 In\n0.842796 0.157204 0.750000 Cu\n0.314408 0.157204 0.750000 Cu\n0.842796 0.685592 0.750000 Cu\n0.157204 0.842796 0.250000 Cu\n0.685592 0.842796 0.250000 Cu\n0.157204 0.314408 0.250000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Cu"
],
"chemical_system": "Cu-In",
"density": 8.86267096075904,
"density_atomic": 0.06989190201364476,
"volume": 114.46247375608962,
"volume_molar": 8.61636410871222,
"formula_full": "In2 Cu6",
"formula_reduced": "InCu3",
"formula_anonymous": "AB3",
"energy": -29.94435502,
"energy_per_atom": -3.7430443775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.94435502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.862000Z",
"spacegroup": 194
}
]
}