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=10239",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10237",
"results": [
{
"id": "mp-1218209",
"created_at": "2022-09-04T14:40:53.605897Z",
"structure_string": "Sr1 Mn1 Fe1 Bi1 O6\n1.0\n4.679921 -2.747807 0.000000\n4.679921 2.747807 0.000000\n3.066551 0.000000 4.477540\nSr Mn Fe Bi O\n1 1 1 1 6\ndirect\n0.249455 0.249455 0.249455 Sr\n0.999237 0.999237 0.999237 Mn\n0.499876 0.499876 0.499876 Fe\n0.751231 0.751231 0.751231 Bi\n0.801681 0.704822 0.245346 O\n0.245346 0.801681 0.704822 O\n0.704822 0.245346 0.801681 O\n0.754635 0.180453 0.313264 O\n0.313264 0.754635 0.180453 O\n0.180453 0.313264 0.754635 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-Mn-O-Sr",
"density": 7.258563870240954,
"density_atomic": 0.086837194201026,
"volume": 115.15802752505157,
"volume_molar": 6.934978513998149,
"formula_full": "Sr1 Mn1 Fe1 Bi1 O6",
"formula_reduced": "SrMnFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -73.48693431000001,
"energy_per_atom": -7.348693431000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.44093431,
"band_gap": 1.1880000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.924000Z",
"spacegroup": 146
},
{
"id": "mp-20189",
"created_at": "2022-09-04T14:42:02.500393Z",
"structure_string": "Sr2 Mn2 Ge2\n1.0\n4.478302 0.000000 0.000000\n0.000000 4.478302 0.000000\n0.000000 0.000000 7.321039\nSr Mn Ge\n2 2 2\ndirect\n0.000000 0.500000 0.325191 Sr\n0.500000 0.000000 0.674809 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.816463 Ge\n0.500000 0.000000 0.183537 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sr",
"density": 4.867634263551665,
"density_atomic": 0.04086502558158074,
"volume": 146.8248193806198,
"volume_molar": 14.736662156194473,
"formula_full": "Sr2 Mn2 Ge2",
"formula_reduced": "SrMnGe",
"formula_anonymous": "ABC",
"energy": -32.55124579,
"energy_per_atom": -5.425207631666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.55124579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6785411,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.729000Z",
"spacegroup": 129
},
{
"id": "mp-21118",
"created_at": "2022-09-04T14:41:47.287405Z",
"structure_string": "Sr1 Mn2 Ge2\n1.0\n-2.040892 2.040892 5.764516\n2.040892 -2.040892 5.764516\n2.040892 2.040892 -5.764516\nSr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.633763 0.633763 0.000000 Ge\n0.366237 0.366237 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sr",
"density": 5.9264787440552,
"density_atomic": 0.0520603540640512,
"volume": 96.04237408467047,
"volume_molar": 11.567613913249232,
"formula_full": "Sr1 Mn2 Ge2",
"formula_reduced": "Sr(MnGe)2",
"formula_anonymous": "AB2C2",
"energy": -30.74084353,
"energy_per_atom": -6.148168706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.74084353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.383458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.889000Z",
"spacegroup": 139
},
{
"id": "mp-1208680",
"created_at": "2022-09-04T14:40:28.051926Z",
"structure_string": "Sr4 Mn4 Ge8 O24\n1.0\n-5.091239 4.767350 1.347244\n-5.081109 -4.765099 -4.261182\n-5.097998 -4.766982 6.958885\nSr Mn Ge O\n4 4 8 24\ndirect\n0.190952 0.279632 0.529744 Sr\n0.191011 0.779585 0.029729 Sr\n0.809032 0.720389 0.470260 Sr\n0.809011 0.220429 0.970283 Sr\n0.593370 0.578448 0.827617 Mn\n0.406403 0.421695 0.172311 Mn\n0.593435 0.078061 0.327947 Mn\n0.406618 0.921851 0.672014 Mn\n0.122162 0.047347 0.266367 Ge\n0.122145 0.547342 0.766379 Ge\n0.877906 0.952652 0.733613 Ge\n0.877810 0.452626 0.233632 Ge\n0.686456 0.298191 0.579215 Ge\n0.686494 0.798249 0.079213 Ge\n0.313554 0.701756 0.420783 Ge\n0.313557 0.201759 0.920794 Ge\n0.875979 0.406624 0.424426 O\n0.876017 0.906687 0.924387 O\n0.124026 0.593388 0.575581 O\n0.124030 0.093319 0.075623 O\n0.168805 0.820954 0.303254 O\n0.168791 0.320964 0.803237 O\n0.831212 0.179045 0.696750 O\n0.831239 0.679038 0.196771 O\n0.301511 0.169281 0.308060 O\n0.301484 0.669333 0.808004 O\n0.698479 0.830715 0.691959 O\n0.698521 0.330660 0.192005 O\n0.522871 0.168256 0.529742 O\n0.522925 0.668306 0.029775 O\n0.477097 0.831746 0.470275 O\n0.477092 0.331697 0.970244 O\n0.886952 0.036726 0.356824 O\n0.886894 0.536737 0.856814 O\n0.113039 0.963296 0.643165 O\n0.113097 0.463249 0.143205 O\n0.606187 0.966398 0.146260 O\n0.606172 0.466354 0.646192 O\n0.393829 0.033573 0.853743 O\n0.393832 0.533641 0.353804 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mn-O-Sr",
"density": 4.684160750915881,
"density_atomic": 0.07349177688894244,
"volume": 544.2785804518817,
"volume_molar": 8.19430556033554,
"formula_full": "Sr4 Mn4 Ge8 O24",
"formula_reduced": "SrMn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -296.97408724,
"energy_per_atom": -7.424352181000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.81408724,
"band_gap": 1.5991,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.152000Z",
"spacegroup": 15
},
{
"id": "mp-1522574",
"created_at": "2022-09-04T14:41:44.939282Z",
"structure_string": "Sr1 Mn1 In1 W1 O6\n1.0\n0.000000 -4.061729 -4.061729\n4.061729 -0.000000 -4.061729\n4.061729 -4.061729 0.000000\nSr Mn In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 W\n0.740112 0.259888 0.259888 O\n0.259888 0.740112 0.740112 O\n0.740112 0.259888 0.740112 O\n0.259888 0.740112 0.259888 O\n0.740112 0.740112 0.259888 O\n0.259888 0.259888 0.740112 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"In",
"W",
"O"
],
"chemical_system": "In-Mn-O-Sr-W",
"density": 6.656291540522091,
"density_atomic": 0.07461689501715442,
"volume": 134.0179056995202,
"volume_molar": 8.07074692482917,
"formula_full": "Sr1 Mn1 In1 W1 O6",
"formula_reduced": "SrMnInWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.20092667,
"energy_per_atom": -7.820092667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.97292667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4478912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.926000Z",
"spacegroup": 216
},
{
"id": "mp-1246208",
"created_at": "2022-09-04T14:47:13.573924Z",
"structure_string": "Sr2 Mn4 N4\n1.0\n6.292672 0.048103 -0.066492\n3.040400 5.435380 0.000000\n6.504544 -3.638461 5.029469\nSr Mn N\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.729182 0.500000 0.635409 Mn\n0.270818 0.500000 0.364591 Mn\n0.270818 0.229182 0.864591 Mn\n0.729182 0.770818 0.135409 Mn\n0.679084 0.500000 0.160458 N\n0.320916 0.500000 0.839542 N\n0.320916 0.179084 0.339542 N\n0.679084 0.820916 0.660458 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 4.294989344538364,
"density_atomic": 0.057347986562447044,
"volume": 174.3740382081393,
"volume_molar": 10.501050029790331,
"formula_full": "Sr2 Mn4 N4",
"formula_reduced": "Sr(MnN)2",
"formula_anonymous": "AB2C2",
"energy": -76.88782635,
"energy_per_atom": -7.688782635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.44382635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7260178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.953000Z",
"spacegroup": 140
},
{
"id": "mp-1246080",
"created_at": "2022-09-04T14:45:57.899550Z",
"structure_string": "Sr3 Mn6 N6\n1.0\n5.776761 -0.657471 -0.128636\n7.658114 4.843777 0.000000\n-0.108778 0.171980 5.885616\nSr Mn N\n3 6 6\ndirect\n0.000000 0.304289 0.500000 Sr\n0.000000 0.695711 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.678451 0.015031 0.906293 Mn\n0.678451 0.306518 0.906293 Mn\n0.321549 0.984969 0.093707 Mn\n0.321549 0.693482 0.093707 Mn\n0.230915 0.884543 0.701247 Mn\n0.769085 0.115457 0.298753 Mn\n0.501733 0.922879 0.795643 N\n0.501733 0.575388 0.795643 N\n0.498267 0.077121 0.204357 N\n0.498267 0.424612 0.204357 N\n0.663136 0.168432 0.661644 N\n0.336864 0.831568 0.338356 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 5.788218238576261,
"density_atomic": 0.07728602684160099,
"volume": 194.08424281846902,
"volume_molar": 7.7920175303389305,
"formula_full": "Sr3 Mn6 N6",
"formula_reduced": "Sr(MnN)2",
"formula_anonymous": "AB2C2",
"energy": -117.4666928,
"energy_per_atom": -7.831112853333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.3006928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2166987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.434000Z",
"spacegroup": 12
},
{
"id": "mp-1247374",
"created_at": "2022-09-04T14:42:52.971336Z",
"structure_string": "Sr1 Mn2 N2\n1.0\n3.362528 -0.000143 0.000063\n-1.681387 2.912249 0.000000\n0.000162 0.000094 6.323613\nSr Mn N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666417 0.333208 0.114582 Mn\n0.333583 0.666792 0.885418 Mn\n0.666732 0.333366 0.807976 N\n0.333268 0.666634 0.192024 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 6.047346955498563,
"density_atomic": 0.08074599122891697,
"volume": 61.92257874232878,
"volume_molar": 7.4581297081697535,
"formula_full": "Sr1 Mn2 N2",
"formula_reduced": "Sr(MnN)2",
"formula_anonymous": "AB2C2",
"energy": -38.97973008,
"energy_per_atom": -7.795946016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.25773008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6453025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.466000Z",
"spacegroup": 164
},
{
"id": "mp-1029878",
"created_at": "2022-09-04T14:43:52.437372Z",
"structure_string": "Sr4 Mn4 N8\n1.0\n7.573133 0.000000 0.000000\n0.000000 5.751979 0.000000\n0.000000 2.430348 5.440442\nSr Mn N\n4 4 8\ndirect\n0.073993 0.323062 0.319175 Sr\n0.573993 0.176938 0.680825 Sr\n0.926007 0.676938 0.680825 Sr\n0.426007 0.823062 0.319175 Sr\n0.634243 0.416324 0.101720 Mn\n0.134243 0.083676 0.898280 Mn\n0.365757 0.583676 0.898280 Mn\n0.865757 0.916324 0.101720 Mn\n0.084334 0.912932 0.236843 N\n0.584334 0.587068 0.763157 N\n0.915666 0.087068 0.763157 N\n0.415666 0.412932 0.236843 N\n0.709445 0.106057 0.168290 N\n0.209445 0.393943 0.831710 N\n0.290555 0.893943 0.831710 N\n0.790555 0.606057 0.168290 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 4.780665493788201,
"density_atomic": 0.06751385741034582,
"volume": 236.98838451420139,
"volume_molar": 8.919858812684533,
"formula_full": "Sr4 Mn4 N8",
"formula_reduced": "SrMnN2",
"formula_anonymous": "ABC2",
"energy": -123.84551149,
"energy_per_atom": -7.740344468125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.95751149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.96263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.700000Z",
"spacegroup": 14
},
{
"id": "mp-1246465",
"created_at": "2022-09-04T14:41:26.671508Z",
"structure_string": "Sr3 Mn12 N12\n1.0\n5.262801 5.262801 0.000000\n5.262801 0.000000 -5.262801\n0.000000 5.262801 -5.262801\nSr Mn N\n3 12 12\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.102401 0.651460 0.348540 Mn\n0.348540 0.897599 0.102401 Mn\n0.897599 0.348540 0.651460 Mn\n0.651460 0.102401 0.897599 Mn\n0.102401 0.897599 0.651460 Mn\n0.348540 0.651460 0.897599 Mn\n0.897599 0.102401 0.348540 Mn\n0.651460 0.348540 0.102401 Mn\n0.102401 0.348540 0.897599 Mn\n0.348540 0.102401 0.651460 Mn\n0.897599 0.651460 0.102401 Mn\n0.651460 0.897599 0.348540 Mn\n0.395354 0.604646 0.145113 N\n0.145113 0.854887 0.395354 N\n0.854887 0.145113 0.604646 N\n0.604646 0.395354 0.854887 N\n0.395354 0.854887 0.604646 N\n0.145113 0.604646 0.854887 N\n0.854887 0.395354 0.145113 N\n0.604646 0.145113 0.395354 N\n0.395354 0.145113 0.854887 N\n0.145113 0.395354 0.604646 N\n0.854887 0.604646 0.395354 N\n0.604646 0.854887 0.145113 N\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 6.209737113268717,
"density_atomic": 0.09261533946094495,
"volume": 291.52838133671855,
"volume_molar": 6.502314622017319,
"formula_full": "Sr3 Mn12 N12",
"formula_reduced": "Sr(MnN)4",
"formula_anonymous": "AB4C4",
"energy": -228.18755818,
"energy_per_atom": -8.451391043703703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.85555818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7114794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.070000Z",
"spacegroup": 202
},
{
"id": "mp-1522554",
"created_at": "2022-09-04T14:42:47.454651Z",
"structure_string": "Sr1 Mn1 Nb1 Bi1 O6\n1.0\n0.000000 -4.080108 -4.080108\n4.080108 -0.000000 -4.080108\n4.080108 -4.080108 -0.000000\nSr Mn Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Bi\n0.745201 0.254799 0.254799 O\n0.254799 0.745201 0.745201 O\n0.745201 0.254799 0.745201 O\n0.254799 0.745201 0.254799 O\n0.745201 0.745201 0.254799 O\n0.254799 0.254799 0.745201 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-Nb-O-Sr",
"density": 6.606213339842931,
"density_atomic": 0.07361308648664282,
"volume": 135.84541115273726,
"volume_molar": 8.180801875618577,
"formula_full": "Sr1 Mn1 Nb1 Bi1 O6",
"formula_reduced": "SrMnNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -78.74607556000001,
"energy_per_atom": -7.874607556000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.95607556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8312739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.262000Z",
"spacegroup": 216
},
{
"id": "mp-19001",
"created_at": "2022-09-04T14:48:03.800481Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n-2.761875 4.783716 0.000000\n0.000000 0.000000 9.249444\n5.523755 0.000003 0.000000\nSr Mn O\n4 4 12\ndirect\n0.333333 0.750002 0.666667 Sr\n0.666667 0.250002 0.333333 Sr\n0.000000 0.500002 0.000000 Sr\n0.000000 0.000002 0.000000 Sr\n0.333333 0.113080 0.666664 Mn\n0.666665 0.613085 0.333336 Mn\n0.666670 0.886905 0.333335 Mn\n0.333332 0.386904 0.666666 Mn\n0.181079 0.250002 0.818921 O\n0.818921 0.750002 0.637841 O\n0.362159 0.750002 0.181079 O\n0.637842 0.250002 0.818921 O\n0.181079 0.250002 0.362158 O\n0.818921 0.750002 0.181079 O\n0.000003 0.500001 0.500001 O\n0.500002 0.000001 0.499998 O\n0.999997 0.000001 0.499998 O\n0.499998 0.500001 0.500001 O\n0.499999 0.500001 0.999997 O\n0.500002 0.000001 0.000003 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.178651850442768,
"density_atomic": 0.0818303551299991,
"volume": 244.408080207243,
"volume_molar": 7.359299309446936,
"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy": -152.71772011,
"energy_per_atom": -7.6358860055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.80172011,
"band_gap": 0.9027000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.747000Z",
"spacegroup": 194
}
]
}