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=formula_reduced&page=10391",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10389",
"results": [
{
"id": "mp-1187241",
"created_at": "2022-09-04T14:47:14.739282Z",
"structure_string": "Ta2 Ir6\n1.0\n2.794240 -4.839766 0.000000\n2.794240 4.839766 0.000000\n0.000000 0.000000 4.489474\nTa Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.163898 0.327797 0.250000 Ir\n0.672203 0.836102 0.250000 Ir\n0.163898 0.836102 0.250000 Ir\n0.836102 0.672203 0.750000 Ir\n0.327797 0.163898 0.750000 Ir\n0.836102 0.163898 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Ir"
],
"chemical_system": "Ir-Ta",
"density": 20.72072233399835,
"density_atomic": 0.06588346940921358,
"volume": 121.42651368753248,
"volume_molar": 9.14059446777984,
"formula_full": "Ta2 Ir6",
"formula_reduced": "TaIr3",
"formula_anonymous": "AB3",
"energy": -82.26291131,
"energy_per_atom": -10.28286391375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.26291131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.626000Z",
"spacegroup": 194
},
{
"id": "mp-265",
"created_at": "2022-09-04T14:42:23.518996Z",
"structure_string": "Ta1 Ir3\n1.0\n3.927818 0.000000 0.000000\n0.000000 3.927818 0.000000\n0.000000 0.000000 3.927818\nTa Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ir"
],
"chemical_system": "Ir-Ta",
"density": 20.760334811024023,
"density_atomic": 0.06600942097481426,
"volume": 60.597410807863184,
"volume_molar": 9.123153439412436,
"formula_full": "Ta1 Ir3",
"formula_reduced": "TaIr3",
"formula_anonymous": "AB3",
"energy": -41.17542453,
"energy_per_atom": -10.2938561325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.17542453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.353000Z",
"spacegroup": 221
},
{
"id": "mp-12678",
"created_at": "2022-09-04T14:43:53.023334Z",
"structure_string": "Ta4 Mn8\n1.0\n2.403858 -4.163604 0.000000\n2.403858 4.163604 0.000000\n0.000000 0.000000 7.909945\nTa Mn\n4 8\ndirect\n0.333333 0.666667 0.063394 Ta\n0.666667 0.333333 0.563394 Ta\n0.666667 0.333333 0.936606 Ta\n0.333333 0.666667 0.436606 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.828145 0.656289 0.250000 Mn\n0.171855 0.828145 0.750000 Mn\n0.656289 0.828145 0.750000 Mn\n0.343711 0.171855 0.250000 Mn\n0.828145 0.171855 0.250000 Mn\n0.171855 0.343711 0.750000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Mn"
],
"chemical_system": "Mn-Ta",
"density": 12.199937375489567,
"density_atomic": 0.07578784530426365,
"volume": 158.33673528814398,
"volume_molar": 7.946050894867185,
"formula_full": "Ta4 Mn8",
"formula_reduced": "TaMn2",
"formula_anonymous": "AB2",
"energy": -123.41009511,
"energy_per_atom": -10.2841745925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.41009511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7091001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.684000Z",
"spacegroup": 194
},
{
"id": "mp-867120",
"created_at": "2022-09-04T14:40:42.085015Z",
"structure_string": "Ta1 Mn2 Al1\n1.0\n0.000000 2.999088 2.999088\n2.999088 0.000000 2.999088\n2.999088 2.999088 0.000000\nTa Mn Al\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Ta\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Ta",
"density": 9.781667476676578,
"density_atomic": 0.0741416707242276,
"volume": 53.950766969874905,
"volume_molar": 8.122477820063635,
"formula_full": "Ta1 Mn2 Al1",
"formula_reduced": "TaMn2Al",
"formula_anonymous": "ABC2",
"energy": -35.14109115,
"energy_per_atom": -8.7852727875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.14109115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9984121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.484000Z",
"spacegroup": 225
},
{
"id": "mp-1217936",
"created_at": "2022-09-04T14:39:41.977182Z",
"structure_string": "Ta1 Mn2 Fe1 O6\n1.0\n4.935017 -2.666140 0.000000\n4.935017 2.666140 0.000000\n3.494637 0.000000 4.387507\nTa Mn Fe O\n1 2 1 6\ndirect\n0.781222 0.781222 0.781222 Ta\n0.504674 0.504674 0.504674 Mn\n0.996079 0.996079 0.996079 Mn\n0.280585 0.280585 0.280585 Fe\n0.658268 0.051882 0.425084 O\n0.051882 0.425084 0.658268 O\n0.425084 0.658268 0.051882 O\n0.150041 0.920690 0.560275 O\n0.920690 0.560275 0.150041 O\n0.560275 0.150041 0.920690 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ta",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O-Ta",
"density": 6.366565681759854,
"density_atomic": 0.08661250078494466,
"volume": 115.45677482318166,
"volume_molar": 6.95296949680824,
"formula_full": "Ta1 Mn2 Fe1 O6",
"formula_reduced": "TaMn2FeO6",
"formula_anonymous": "ABC2D6",
"energy": -92.32690702,
"energy_per_atom": -9.232690702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.61290702,
"band_gap": 1.6284,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9998273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.189000Z",
"spacegroup": 146
},
{
"id": "mp-1096357",
"created_at": "2022-09-04T14:46:58.364773Z",
"structure_string": "Ta1 Mn2 Ga1\n1.0\n-4.773255 6.280598 7.153424\n4.773255 -6.280598 7.153424\n4.773255 6.280598 -7.153424\nTa Mn Ga\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.262454 0.262454 Mn\n0.000000 0.737546 0.737546 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Ta",
"density": 0.6979452503139996,
"density_atomic": 0.004663053517400908,
"volume": 857.8070110225798,
"volume_molar": 129.14586413232118,
"formula_full": "Ta1 Mn2 Ga1",
"formula_reduced": "TaMn2Ga",
"formula_anonymous": "ABC2",
"energy": -21.24465221,
"energy_per_atom": -5.3111630525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.24465221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999645,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.328000Z",
"spacegroup": 71
},
{
"id": "mp-1187238",
"created_at": "2022-09-04T14:47:57.813449Z",
"structure_string": "Ta1 Mn2 Ga1\n1.0\n0.000000 2.998788 2.998788\n2.998788 0.000000 2.998788\n2.998788 2.998788 0.000000\nTa Mn Ga\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Ta\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Ta",
"density": 11.100528573219576,
"density_atomic": 0.07416392444116983,
"volume": 53.93457843743127,
"volume_molar": 8.120040579536798,
"formula_full": "Ta1 Mn2 Ga1",
"formula_reduced": "TaMn2Ga",
"formula_anonymous": "ABC2",
"energy": -34.00467022,
"energy_per_atom": -8.501167555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.00467022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0014014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.474000Z",
"spacegroup": 225
},
{
"id": "mp-863250",
"created_at": "2022-09-04T14:42:04.828479Z",
"structure_string": "Ta1 Mn2 Ge1\n1.0\n0.000000 2.983062 2.983062\n2.983062 0.000000 2.983062\n2.983062 2.983062 0.000000\nTa Mn Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ta",
"density": 11.368250329739114,
"density_atomic": 0.07534304289282272,
"volume": 53.09050240630838,
"volume_molar": 7.992961962747694,
"formula_full": "Ta1 Mn2 Ge1",
"formula_reduced": "TaMn2Ge",
"formula_anonymous": "ABC2",
"energy": -35.63111166,
"energy_per_atom": -8.907777915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.63111166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9671909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.309000Z",
"spacegroup": 225
},
{
"id": "mp-1246325",
"created_at": "2022-09-04T14:48:17.623587Z",
"structure_string": "Ta2 Mn4 N6\n1.0\n5.782730 -0.009739 0.000000\n-2.898540 5.021876 0.000000\n0.000000 0.000000 4.368693\nTa Mn N\n2 4 6\ndirect\n0.000000 0.678399 0.425544 Ta\n0.000000 0.321601 0.925544 Ta\n0.364778 0.385024 0.470924 Mn\n0.635222 0.020244 0.470924 Mn\n0.635222 0.614976 0.970924 Mn\n0.364778 0.979756 0.970924 Mn\n0.328657 0.288063 0.900944 N\n0.671343 0.959407 0.900944 N\n0.671343 0.711937 0.400944 N\n0.328657 0.040593 0.400944 N\n0.000000 0.680046 0.918721 N\n0.000000 0.319954 0.418721 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"N"
],
"chemical_system": "Mn-N-Ta",
"density": 8.721513500538881,
"density_atomic": 0.09467889626269024,
"volume": 126.74418982141002,
"volume_molar": 6.360594596805753,
"formula_full": "Ta2 Mn4 N6",
"formula_reduced": "TaMn2N3",
"formula_anonymous": "AB2C3",
"energy": -117.41159966,
"energy_per_atom": -9.784299971666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.24559965999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9546371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.240000Z",
"spacegroup": 36
},
{
"id": "mp-1246250",
"created_at": "2022-09-04T14:46:15.147820Z",
"structure_string": "Ta4 Mn8 N12\n1.0\n5.464640 0.249348 0.211162\n-8.412507 4.358747 -0.000000\n0.035855 0.069200 10.429407\nTa Mn N\n4 8 12\ndirect\n0.648640 0.340459 0.641557 Ta\n0.351360 0.691819 0.858443 Ta\n0.351360 0.659541 0.358443 Ta\n0.648640 0.308181 0.141557 Ta\n0.518038 0.074010 0.823026 Mn\n0.481962 0.555972 0.676974 Mn\n0.481962 0.925990 0.176974 Mn\n0.518038 0.444028 0.323026 Mn\n0.723511 0.970291 0.593509 Mn\n0.276489 0.246780 0.906491 Mn\n0.276489 0.029709 0.406491 Mn\n0.723511 0.753220 0.093509 Mn\n1.000000 0.660208 0.750000 N\n0.000000 0.339792 0.250000 N\n0.788539 0.199946 0.637353 N\n0.211461 0.411408 0.862647 N\n0.211461 0.800054 0.362647 N\n0.788539 0.588592 0.137353 N\n0.360606 0.090107 0.983197 N\n0.639394 0.729502 0.516803 N\n0.639394 0.909893 0.016803 N\n0.360606 0.270498 0.483197 N\n1.000000 0.004311 0.750000 N\n0.000000 0.995689 0.250000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"N"
],
"chemical_system": "Mn-N-Ta",
"density": 8.183940448807103,
"density_atomic": 0.08884311750761684,
"volume": 270.13910219823606,
"volume_molar": 6.778398742574179,
"formula_full": "Ta4 Mn8 N12",
"formula_reduced": "TaMn2N3",
"formula_anonymous": "AB2C3",
"energy": -230.57784378,
"energy_per_atom": -9.6074101575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.24584378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.1489853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.231000Z",
"spacegroup": 15
},
{
"id": "mp-1097559",
"created_at": "2022-09-04T14:45:11.565371Z",
"structure_string": "Ta1 Mn2 Nb1\n1.0\n-4.872203 5.234926 7.382431\n4.872203 -5.234926 7.382431\n4.872203 5.234926 -7.382431\nTa Mn Nb\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.251167 0.251167 Mn\n0.000000 0.748833 0.748833 Mn\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Nb"
],
"chemical_system": "Mn-Nb-Ta",
"density": 0.8460186513198901,
"density_atomic": 0.005310857903832111,
"volume": 753.1739828914936,
"volume_molar": 113.39299354356015,
"formula_full": "Ta1 Mn2 Nb1",
"formula_reduced": "TaMn2Nb",
"formula_anonymous": "ABC2",
"energy": -24.8352981,
"energy_per_atom": -6.208824525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.8352981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6831307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.042000Z",
"spacegroup": 71
},
{
"id": "mp-31900",
"created_at": "2022-09-04T14:47:38.809495Z",
"structure_string": "Ta1 Mn2 O3\n1.0\n2.551219 -4.418841 0.000000\n2.551219 4.418841 0.000000\n0.000000 0.000000 3.071486\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 Mn\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 8.124305870401185,
"density_atomic": 0.08663963201538659,
"volume": 69.25237169675931,
"volume_molar": 6.950792172028744,
"formula_full": "Ta1 Mn2 O3",
"formula_reduced": "TaMn2O3",
"formula_anonymous": "AB2C3",
"energy": -52.9330095,
"energy_per_atom": -8.822168249999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.5360095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6288773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.081000Z",
"spacegroup": 191
}
]
}