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=10131",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10129",
"results": [
{
"id": "mp-1519203",
"created_at": "2022-09-04T14:42:20.453833Z",
"structure_string": "Sr2 Ce2 Eu2 Sb2 O12\n1.0\n5.799899 0.003708 0.004514\n-0.003544 6.098716 0.009163\n-0.004442 0.002151 8.406670\nSr Ce Eu Sb O\n2 2 2 2 12\ndirect\n0.984747 0.057137 0.246670 Sr\n0.015253 0.942863 0.753330 Sr\n-0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.519048 0.561479 0.249484 Eu\n0.480952 0.438521 0.750516 Eu\n0.500000 -0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.188654 0.197296 0.942815 O\n0.285543 0.680352 0.556064 O\n0.811346 0.802704 0.057185 O\n0.714457 0.319648 0.443936 O\n0.317640 0.688684 0.937375 O\n0.180160 0.222077 0.556880 O\n0.682360 0.311316 0.062625 O\n0.819840 0.777923 0.443120 O\n0.391537 0.952896 0.254068 O\n0.113838 0.466362 0.271269 O\n0.608463 0.047104 0.745932 O\n0.886162 0.533638 0.728731 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ce-Eu-O-Sb-Sr",
"density": 6.672710723245009,
"density_atomic": 0.06725846980638182,
"volume": 297.36031844873014,
"volume_molar": 8.953728470683389,
"formula_full": "Sr2 Ce2 Eu2 Sb2 O12",
"formula_reduced": "SrCeEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -163.94685676,
"energy_per_atom": -8.197342838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.70285676,
"band_gap": 0.1295999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.7890084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.428000Z",
"spacegroup": 2
},
{
"id": "mp-1519331",
"created_at": "2022-09-04T14:46:58.592879Z",
"structure_string": "Sr1 Ce1 Eu1 Sb1 O6\n1.0\n-0.000000 -4.285171 -4.285171\n4.285171 -0.000000 -4.285171\n4.285171 -4.285171 -0.000000\nSr Ce Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 -0.000000 Ce\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sb\n0.733823 0.266177 0.266177 O\n0.266177 0.733823 0.733823 O\n0.733823 0.266177 0.733823 O\n0.266177 0.733823 0.266177 O\n0.733823 0.733823 0.266177 O\n0.266177 0.266177 0.733823 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ce-Eu-O-Sb-Sr",
"density": 6.304067403802493,
"density_atomic": 0.06354268073677997,
"volume": 157.37453761864612,
"volume_molar": 9.477316175794021,
"formula_full": "Sr1 Ce1 Eu1 Sb1 O6",
"formula_reduced": "SrCeEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.66623738000001,
"energy_per_atom": -8.066623738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.54423738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9571488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.552000Z",
"spacegroup": 216
},
{
"id": "mp-1519227",
"created_at": "2022-09-04T14:46:21.630319Z",
"structure_string": "Sr2 Ce2 Eu2 Sb2 O12\n1.0\n5.971701 0.000000 0.000000\n0.000000 5.971701 -0.000000\n0.000000 0.000000 8.653254\nSr Ce Eu Sb O\n2 2 2 2 12\ndirect\n0.500000 0.000000 0.250000 Sr\n-0.000000 0.500000 0.750000 Sr\n-0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n-0.000000 0.500000 0.250000 Eu\n0.500000 0.000000 0.750000 Eu\n-0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.000000 0.260373 O\n0.500000 0.500000 0.239627 O\n-0.000000 0.000000 0.739627 O\n0.500000 0.500000 0.760373 O\n0.336329 0.191978 0.997558 O\n0.663671 0.808022 0.997558 O\n0.808022 0.336329 0.002442 O\n0.191978 0.663671 0.002442 O\n0.836329 0.308022 0.497558 O\n0.163671 0.691978 0.497558 O\n0.308022 0.163671 0.502442 O\n0.691978 0.836329 0.502442 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ce-Eu-O-Sb-Sr",
"density": 6.42998188830018,
"density_atomic": 0.06481185242801964,
"volume": 308.5855325954786,
"volume_molar": 9.291727568947701,
"formula_full": "Sr2 Ce2 Eu2 Sb2 O12",
"formula_reduced": "SrCeEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -162.54340105,
"energy_per_atom": -8.1271700525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.29940105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9921455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.331000Z",
"spacegroup": 118
},
{
"id": "mp-1187193",
"created_at": "2022-09-04T14:44:44.285741Z",
"structure_string": "Sr1 Ce1 Hg2\n1.0\n0.000000 3.880538 3.880538\n3.880538 0.000000 3.880538\n3.880538 3.880538 0.000000\nSr Ce Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ce\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg-Sr",
"density": 8.935851103028124,
"density_atomic": 0.03422584457792979,
"volume": 116.87074634176776,
"volume_molar": 17.595302129909513,
"formula_full": "Sr1 Ce1 Hg2",
"formula_reduced": "SrCeHg2",
"formula_anonymous": "ABC2",
"energy": -9.78063233,
"energy_per_atom": -2.4451580825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78063233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.073947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.066000Z",
"spacegroup": 225
},
{
"id": "mp-570853",
"created_at": "2022-09-04T14:41:52.810517Z",
"structure_string": "Sr2 Ce2 I8\n1.0\n7.492394 5.155190 0.000000\n-7.492394 5.155190 0.000000\n0.000000 4.245000 6.178199\nSr Ce I\n2 2 8\ndirect\n0.135040 0.864960 0.750000 Sr\n0.864960 0.135040 0.250000 Sr\n0.500095 0.499905 0.750000 Ce\n0.499905 0.500095 0.250000 Ce\n0.866034 0.741065 0.265911 I\n0.554385 0.201614 0.589453 I\n0.798386 0.445615 0.910547 I\n0.201614 0.554385 0.089453 I\n0.741065 0.866034 0.765911 I\n0.445615 0.798386 0.410547 I\n0.258935 0.133966 0.234089 I\n0.133966 0.258935 0.734089 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"I"
],
"chemical_system": "Ce-I-Sr",
"density": 5.117034077233665,
"density_atomic": 0.025143404014513683,
"volume": 477.26234654119094,
"volume_molar": 23.951175252657922,
"formula_full": "Sr2 Ce2 I8",
"formula_reduced": "SrCeI4",
"formula_anonymous": "ABC4",
"energy": -48.196701700000006,
"energy_per_atom": -4.016391808333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.1647017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7420636,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.839000Z",
"spacegroup": 15
},
{
"id": "mp-1099097",
"created_at": "2022-09-04T14:41:17.088653Z",
"structure_string": "Sr1 Ce1 Mg14\n1.0\n3.533837 -5.594762 0.000000\n3.533837 5.594762 0.000000\n0.000000 0.000000 10.727730\nSr Ce Mg\n1 1 14\ndirect\n0.337267 0.662733 0.500000 Sr\n0.841252 0.158748 0.500000 Ce\n0.832552 0.167448 0.000000 Mg\n0.333886 0.666114 0.000000 Mg\n0.337488 0.169306 0.500000 Mg\n0.336370 0.166885 0.000000 Mg\n0.830694 0.662512 0.500000 Mg\n0.833115 0.663630 0.000000 Mg\n0.160511 0.327152 0.239030 Mg\n0.160511 0.327152 0.760970 Mg\n0.672848 0.839489 0.239030 Mg\n0.672848 0.839489 0.760970 Mg\n0.664614 0.335386 0.250126 Mg\n0.664614 0.335386 0.749874 Mg\n0.160719 0.839281 0.243764 Mg\n0.160719 0.839281 0.756236 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg-Sr",
"density": 2.2234945054445068,
"density_atomic": 0.03771846605986774,
"volume": 424.1954053646927,
"volume_molar": 15.96602775532149,
"formula_full": "Sr1 Ce1 Mg14",
"formula_reduced": "SrCeMg14",
"formula_anonymous": "ABC14",
"energy": -28.52749967,
"energy_per_atom": -1.782968729375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.52749967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0632732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.927000Z",
"spacegroup": 38
},
{
"id": "mp-1026736",
"created_at": "2022-09-04T14:41:56.499312Z",
"structure_string": "Sr1 Ce1 Mg14\n1.0\n6.718440 0.000000 0.000000\n-3.359220 5.818339 0.000000\n0.000000 0.000000 10.516729\nSr Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Sr\n0.166667 0.333333 0.125000 Ce\n0.176394 0.838197 0.125000 Mg\n0.177179 0.838589 0.625000 Mg\n0.661803 0.323606 0.125000 Mg\n0.661411 0.322821 0.625000 Mg\n0.661803 0.838197 0.125000 Mg\n0.661411 0.838589 0.625000 Mg\n0.340914 0.159086 0.370401 Mg\n0.340914 0.159086 0.879599 Mg\n0.340914 0.681829 0.370401 Mg\n0.340914 0.681829 0.879599 Mg\n0.818171 0.159086 0.370401 Mg\n0.818171 0.159086 0.879599 Mg\n0.833333 0.666667 0.372578 Mg\n0.833333 0.666667 0.877422 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg-Sr",
"density": 2.294319379043128,
"density_atomic": 0.03891991071578336,
"volume": 411.10063475843106,
"volume_molar": 15.473161806503878,
"formula_full": "Sr1 Ce1 Mg14",
"formula_reduced": "SrCeMg14",
"formula_anonymous": "ABC14",
"energy": -29.01588273,
"energy_per_atom": -1.813492670625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.01588273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.430853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.668000Z",
"spacegroup": 187
},
{
"id": "mp-1099332",
"created_at": "2022-09-04T14:46:10.858776Z",
"structure_string": "Sr1 Ce1 Mg6\n1.0\n3.536878 -5.822667 0.000000\n3.536878 5.822667 0.000000\n0.000000 0.000000 5.435975\nSr Ce Mg\n1 1 6\ndirect\n0.655138 0.344862 0.500000 Sr\n0.848720 0.151280 0.000000 Ce\n0.842479 0.672918 0.000000 Mg\n0.327082 0.157521 0.000000 Mg\n0.340628 0.659372 0.000000 Mg\n0.665704 0.841202 0.500000 Mg\n0.158798 0.334296 0.500000 Mg\n0.161453 0.838547 0.500000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg-Sr",
"density": 2.770556174784436,
"density_atomic": 0.03573061632762062,
"volume": 223.89762120660117,
"volume_molar": 16.854287384191416,
"formula_full": "Sr1 Ce1 Mg6",
"formula_reduced": "SrCeMg6",
"formula_anonymous": "ABC6",
"energy": -16.26255604,
"energy_per_atom": -2.032819505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.26255604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.432185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.536000Z",
"spacegroup": 38
},
{
"id": "mp-1098323",
"created_at": "2022-09-04T14:40:12.502261Z",
"structure_string": "Sr1 Ce1 Mg6\n1.0\n3.776594 -5.325790 0.000000\n3.776594 5.325790 0.000000\n0.000000 0.000000 5.186564\nSr Ce Mg\n1 1 6\ndirect\n0.343832 0.656168 0.500000 Sr\n0.862383 0.137617 0.500000 Ce\n0.360954 0.169898 0.500000 Mg\n0.830102 0.639046 0.500000 Mg\n0.153220 0.336899 0.000000 Mg\n0.663101 0.846780 0.000000 Mg\n0.654240 0.345760 0.000000 Mg\n0.132169 0.867831 0.000000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg-Sr",
"density": 2.9731879637788303,
"density_atomic": 0.038343867332683315,
"volume": 208.63831836756353,
"volume_molar": 15.705616514239514,
"formula_full": "Sr1 Ce1 Mg6",
"formula_reduced": "SrCeMg6",
"formula_anonymous": "ABC6",
"energy": -16.21873049,
"energy_per_atom": -2.02734131125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.21873049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5307976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.828000Z",
"spacegroup": 38
},
{
"id": "mp-937703",
"created_at": "2022-09-04T14:40:08.501907Z",
"structure_string": "Sr2 Ce2 N4\n1.0\n2.609742 5.782447 0.000000\n-2.609742 5.782447 0.000000\n0.000000 2.339537 4.658652\nSr Ce N\n2 2 4\ndirect\n0.001167 0.247959 0.625821 Sr\n0.752041 0.998833 0.374179 Sr\n0.251160 0.497475 0.878444 Ce\n0.502525 0.748840 0.121556 Ce\n0.714356 0.973956 0.904838 N\n0.468084 0.719449 0.666642 N\n0.280551 0.531916 0.333358 N\n0.026044 0.285644 0.095162 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"N"
],
"chemical_system": "Ce-N-Sr",
"density": 6.040796632706016,
"density_atomic": 0.05689714640544421,
"volume": 140.60459101046445,
"volume_molar": 10.584257982090595,
"formula_full": "Sr2 Ce2 N4",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
"energy": -59.24514761,
"energy_per_atom": -7.40564345125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.80114761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.184000Z",
"spacegroup": 12
},
{
"id": "mp-1173041",
"created_at": "2022-09-04T14:42:20.641000Z",
"structure_string": "Sr2 Ce2 N4\n1.0\n-2.612815 2.612815 5.153087\n2.612815 -2.612815 5.153087\n2.612815 2.612815 -5.153087\nSr Ce N\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.720542 0.720542 0.000000 N\n0.470542 0.970542 0.500000 N\n0.279458 0.279458 0.000000 N\n0.029458 0.529458 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"N"
],
"chemical_system": "Ce-N-Sr",
"density": 6.035995804664521,
"density_atomic": 0.05685192829390153,
"volume": 140.71642317289974,
"volume_molar": 10.592676344886602,
"formula_full": "Sr2 Ce2 N4",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
"energy": -59.245120760000006,
"energy_per_atom": -7.405640095000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.80112076,
"band_gap": 0.8117000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.556000Z",
"spacegroup": 141
},
{
"id": "mp-1218320",
"created_at": "2022-09-04T14:45:19.729081Z",
"structure_string": "Sr1 Ce1 N2\n1.0\n3.708474 0.000000 0.000000\n0.000000 3.708474 0.000000\n0.000000 0.000000 5.003694\nSr Ce N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"N"
],
"chemical_system": "Ce-N-Sr",
"density": 6.171383020326915,
"density_atomic": 0.05812711544211017,
"volume": 68.81469981051565,
"volume_molar": 10.360295215401765,
"formula_full": "Sr1 Ce1 N2",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
"energy": -28.84681823,
"energy_per_atom": -7.2117045575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.12481823,
"band_gap": 0.3045999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0033966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.343000Z",
"spacegroup": 123
}
]
}