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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10147",
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"results": [
{
"id": "mp-1028136",
"created_at": "2022-09-04T14:42:51.512148Z",
"structure_string": "Rb1 Mg14 Mn1\n1.0\n6.490804 -0.000000 0.000000\n-3.245402 5.621200 -0.000000\n-0.000000 -0.000000 10.423732\nRb Mg Mn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.154913 0.827456 0.125000 Mg\n0.177294 0.838646 0.625000 Mg\n0.672544 0.345087 0.125000 Mg\n0.661354 0.322706 0.625000 Mg\n0.672544 0.827456 0.125000 Mg\n0.661354 0.838646 0.625000 Mg\n0.329507 0.170493 0.342555 Mg\n0.329507 0.170493 0.907445 Mg\n0.329507 0.659015 0.342555 Mg\n0.329507 0.659015 0.907445 Mg\n0.840985 0.170493 0.342555 Mg\n0.840985 0.170493 0.907445 Mg\n0.833333 0.666667 0.383613 Mg\n0.833333 0.666667 0.866387 Mg\n0.166667 0.333333 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Rb",
"density": 2.098701274691682,
"density_atomic": 0.04206968043090209,
"volume": 380.32140572779997,
"volume_molar": 14.31468149583676,
"formula_full": "Rb1 Mg14 Mn1",
"formula_reduced": "RbMg14Mn",
"formula_anonymous": "ABC14",
"energy": -27.90497058,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.128000Z",
"spacegroup": 187
},
{
"id": "mp-1028117",
"created_at": "2022-09-04T14:40:12.308238Z",
"structure_string": "Rb1 Mg14 Mn1\n1.0\n6.514293 -0.005079 0.000000\n-3.261545 5.649161 0.000000\n0.000000 0.000000 10.510614\nRb Mg Mn\n1 14 1\ndirect\n0.163689 0.831844 0.125000 Rb\n0.164399 0.332199 0.625000 Mg\n0.168559 0.834279 0.625000 Mg\n0.659372 0.335604 0.125000 Mg\n0.666033 0.330615 0.625000 Mg\n0.659372 0.823767 0.125000 Mg\n0.666033 0.835416 0.625000 Mg\n0.337528 0.181753 0.385142 Mg\n0.337528 0.181753 0.864858 Mg\n0.337528 0.655775 0.385142 Mg\n0.337528 0.655775 0.864858 Mg\n0.839699 0.169850 0.364972 Mg\n0.839699 0.169850 0.885028 Mg\n0.821134 0.660568 0.392446 Mg\n0.821134 0.660568 0.857554 Mg\n0.180768 0.340383 0.125000 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Rb",
"density": 2.0645129284229493,
"density_atomic": 0.041384355263699386,
"volume": 386.6195304493369,
"volume_molar": 14.55173270581883,
"formula_full": "Rb1 Mg14 Mn1",
"formula_reduced": "RbMg14Mn",
"formula_anonymous": "ABC14",
"energy": -29.27725218,
"energy_per_atom": -1.82982826125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -29.27725218,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.6081056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.927000Z",
"spacegroup": 38
},
{
"id": "mp-977463",
"created_at": "2022-09-04T14:43:14.629119Z",
"structure_string": "Mg1 Mn1 Rh2\n1.0\n0.000000 3.074895 3.074895\n3.074895 0.000000 3.074895\n3.074895 3.074895 0.000000\nMg Mn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Rh"
],
"chemical_system": "Mg-Mn-Rh",
"density": 8.140581695913577,
"density_atomic": 0.06879218831364084,
"volume": 58.14613690965894,
"volume_molar": 8.754105528004938,
"formula_full": "Mg1 Mn1 Rh2",
"formula_reduced": "MgMnRh2",
"formula_anonymous": "ABC2",
"energy": -26.78518498,
"energy_per_atom": -6.696296245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.78518498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.627989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.630000Z",
"spacegroup": 225
},
{
"id": "mp-1410838",
"created_at": "2022-09-04T14:44:30.061536Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n-3.585016 3.585016 5.355387\n3.585016 -3.585016 5.355387\n3.585016 3.585016 -5.355387\nMg Mn S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.875000 0.125000 0.250000 Mn\n0.375000 0.125000 0.250000 Mn\n0.875000 0.625000 0.750000 Mn\n0.875000 0.125000 0.750000 Mn\n0.660426 0.888875 0.771551 S\n0.111125 0.882676 0.771551 S\n0.111125 0.339574 0.228449 S\n0.089574 0.361125 0.728449 S\n0.632676 0.361125 0.271551 S\n0.638875 0.367324 0.728449 S\n0.117324 0.888875 0.228449 S\n0.638875 0.910426 0.271551 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.1657592031573234,
"density_atomic": 0.050850471921858806,
"volume": 275.31701222977046,
"volume_molar": 11.842841437645136,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
"energy": -87.41247733,
"energy_per_atom": -6.243748380714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.38847733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9996857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.519000Z",
"spacegroup": 141
},
{
"id": "mp-1443978",
"created_at": "2022-09-04T14:40:55.753775Z",
"structure_string": "Mg1 Mn4 S8\n1.0\n6.457180 -3.380520 0.000000\n6.457180 3.380520 0.000000\n4.687380 0.000000 5.581358\nMg Mn S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.268583 0.756704 0.756704 S\n0.243296 0.243296 0.731417 S\n0.731417 0.243296 0.243296 S\n0.243296 0.731417 0.243296 S\n0.262436 0.262436 0.262436 S\n0.737564 0.737564 0.737564 S\n0.756704 0.268583 0.756704 S\n0.756704 0.756704 0.268583 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.4113310450128638,
"density_atomic": 0.053351554021823754,
"volume": 243.66675419955484,
"volume_molar": 11.287657633246464,
"formula_full": "Mg1 Mn4 S8",
"formula_reduced": "Mg(MnS2)4",
"formula_anonymous": "AB4C8",
"energy": -84.28835184,
"energy_per_atom": -6.483719372307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -80.26435184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.799000Z",
"spacegroup": 166
},
{
"id": "mp-1400454",
"created_at": "2022-09-04T14:47:56.126907Z",
"structure_string": "Mg1 Mn4 S8\n1.0\n6.056603 -3.465512 0.000000\n6.056603 3.465512 0.000000\n4.073681 0.000000 5.665452\nMg Mn S\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.256026 0.724345 0.256026 S\n0.724345 0.256026 0.256026 S\n0.256026 0.256026 0.724345 S\n0.259481 0.259481 0.259481 S\n0.740519 0.740519 0.740519 S\n0.275655 0.743974 0.743974 S\n0.743974 0.743974 0.275655 S\n0.743974 0.275655 0.743974 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.495095689472635,
"density_atomic": 0.0546615922136749,
"volume": 237.82695442134855,
"volume_molar": 11.017133815749734,
"formula_full": "Mg1 Mn4 S8",
"formula_reduced": "Mg(MnS2)4",
"formula_anonymous": "AB4C8",
"energy": -84.00688542,
"energy_per_atom": -6.46206810923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -79.98288542,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9479192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.748000Z",
"spacegroup": 166
},
{
"id": "mp-1045474",
"created_at": "2022-09-04T14:40:59.463732Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n3.470741 6.020240 0.000000\n-3.470741 6.020240 0.000000\n0.000000 4.162241 5.905846\nMg Mn S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.260344 0.260344 0.712237 S\n0.728233 0.251666 0.270771 S\n0.254574 0.254574 0.271310 S\n0.748334 0.271767 0.729229 S\n0.745426 0.745426 0.728690 S\n0.271767 0.748334 0.729229 S\n0.251666 0.728233 0.270771 S\n0.739656 0.739656 0.287763 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.531529195842473,
"density_atomic": 0.05672570612297704,
"volume": 246.80168757439634,
"volume_molar": 10.61624644556113,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
"energy": -87.24000881,
"energy_per_atom": -6.231429200714286,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -83.21600881,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.069000Z",
"spacegroup": 12
},
{
"id": "mp-1402738",
"created_at": "2022-09-04T14:43:15.868411Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n0.000000 5.154720 5.154720\n5.154720 0.000000 5.154720\n5.154720 5.154720 0.000000\nMg Mn S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.862989 0.862989 0.862989 S\n0.838967 0.387011 0.387011 S\n0.387011 0.387011 0.838967 S\n0.387011 0.838967 0.387011 S\n0.862989 0.862989 0.411033 S\n0.862989 0.411033 0.862989 S\n0.387011 0.387011 0.387011 S\n0.411033 0.862989 0.862989 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.1817473498850193,
"density_atomic": 0.051107283875670206,
"volume": 273.9335558128681,
"volume_molar": 11.78333165708863,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
"energy": -87.39576986,
"energy_per_atom": -6.24255499,
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"updated_at": "2021-11-28T01:36:02.124000Z",
"spacegroup": 227
},
{
"id": "mp-1028074",
"created_at": "2022-09-04T14:44:42.303865Z",
"structure_string": "Mg14 Mn1 Sb1\n1.0\n6.304300 0.004479 0.000000\n-3.148271 5.452965 0.000000\n0.000000 0.000000 10.305551\nMg Mn Sb\n14 1 1\ndirect\n0.167068 0.333533 0.625000 Mg\n0.166541 0.833270 0.625000 Mg\n0.668391 0.332989 0.125000 Mg\n0.666271 0.333339 0.625000 Mg\n0.668391 0.835401 0.125000 Mg\n0.666271 0.832931 0.625000 Mg\n0.332469 0.171012 0.372325 Mg\n0.332469 0.171012 0.877675 Mg\n0.332469 0.661457 0.372325 Mg\n0.332469 0.661457 0.877675 Mg\n0.838043 0.169022 0.371801 Mg\n0.838043 0.169022 0.878199 Mg\n0.831272 0.665636 0.377610 Mg\n0.831272 0.665636 0.872390 Mg\n0.165556 0.332778 0.125000 Mn\n0.163006 0.831503 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sb"
],
"chemical_system": "Mg-Mn-Sb",
"density": 2.4221101628861237,
"density_atomic": 0.04514410817687573,
"volume": 354.42055776828295,
"volume_molar": 13.339815544489447,
"formula_full": "Mg14 Mn1 Sb1",
"formula_reduced": "Mg14MnSb",
"formula_anonymous": "ABC14",
"energy": -35.60118342,
"energy_per_atom": -2.22507396375,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.740000Z",
"spacegroup": 38
},
{
"id": "mp-1222105",
"created_at": "2022-09-04T14:41:11.818529Z",
"structure_string": "Mg5 Mn1 Sb4\n1.0\n2.284033 -3.956060 0.000000\n2.284033 3.956060 0.000000\n0.000000 0.000000 14.503913\nMg Mn Sb\n5 1 4\ndirect\n0.666667 0.333333 0.999817 Mg\n0.666667 0.333333 0.500727 Mg\n0.000000 0.000000 0.184322 Mg\n0.333333 0.666667 0.813338 Mg\n0.333333 0.666667 0.315662 Mg\n0.000000 0.000000 0.686120 Mn\n0.000000 0.000000 0.884413 Sb\n0.000000 0.000000 0.387885 Sb\n0.333333 0.666667 0.615234 Sb\n0.333333 0.666667 0.112483 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sb"
],
"chemical_system": "Mg-Mn-Sb",
"density": 4.203505228652978,
"density_atomic": 0.03815219895651305,
"volume": 262.1080900578832,
"volume_molar": 15.78451812663329,
"formula_full": "Mg5 Mn1 Sb4",
"formula_reduced": "Mg5MnSb4",
"formula_anonymous": "AB4C5",
"energy": -36.81283947,
"energy_per_atom": -3.681283947,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -36.04483947,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.906354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.489000Z",
"spacegroup": 156
},
{
"id": "mp-1028069",
"created_at": "2022-09-04T14:42:42.982525Z",
"structure_string": "Mg14 Mn1 Sb1\n1.0\n6.309849 0.000000 -0.000000\n-3.154924 5.464489 -0.000000\n0.000000 -0.000000 10.336347\nMg Mn Sb\n14 1 1\ndirect\n0.167420 0.833710 0.125000 Mg\n0.164728 0.832364 0.625000 Mg\n0.666290 0.332580 0.125000 Mg\n0.667636 0.335272 0.625000 Mg\n0.666290 0.833710 0.125000 Mg\n0.667636 0.832364 0.625000 Mg\n0.331483 0.168517 0.367907 Mg\n0.331483 0.168517 0.882093 Mg\n0.331483 0.662967 0.367907 Mg\n0.331483 0.662967 0.882093 Mg\n0.837033 0.168517 0.367907 Mg\n0.837033 0.168517 0.882093 Mg\n0.833333 0.666667 0.373663 Mg\n0.833333 0.666667 0.876337 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sb"
],
"chemical_system": "Mg-Mn-Sb",
"density": 2.4086693908772965,
"density_atomic": 0.04489359452359738,
"volume": 356.39828286839304,
"volume_molar": 13.414253912848496,
"formula_full": "Mg14 Mn1 Sb1",
"formula_reduced": "Mg14MnSb",
"formula_anonymous": "ABC14",
"energy": -35.54071019,
"energy_per_atom": -2.221294386875,
"energy_above_hull": null,
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"energy_uncorrected": -35.34871019,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:00.254000Z",
"spacegroup": 187
},
{
"id": "mp-1022931",
"created_at": "2022-09-04T14:40:53.057815Z",
"structure_string": "Mg12 Mn2 Sb2\n1.0\n5.157919 0.000000 0.000000\n0.000000 6.203030 0.000000\n0.000000 0.000000 10.788137\nMg Mn Sb\n12 2 2\ndirect\n0.000000 0.748748 0.916266 Mg\n0.000000 0.251252 0.916266 Mg\n0.500000 0.258179 0.583612 Mg\n0.500000 0.741821 0.583612 Mg\n0.500000 0.500000 0.829830 Mg\n0.500000 0.000000 0.835434 Mg\n0.000000 0.248748 0.416266 Mg\n0.000000 0.751252 0.416266 Mg\n0.500000 0.758179 0.083612 Mg\n0.500000 0.241821 0.083612 Mg\n0.500000 0.000000 0.329830 Mg\n0.500000 0.500000 0.335434 Mg\n0.000000 0.500000 0.667289 Mn\n0.000000 0.000000 0.167289 Mn\n0.000000 0.000000 0.667686 Sb\n0.000000 0.500000 0.167686 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sb"
],
"chemical_system": "Mg-Mn-Sb",
"density": 3.1032854486062744,
"density_atomic": 0.046354844699288224,
"volume": 345.1634905433235,
"volume_molar": 12.991394532905144,
"formula_full": "Mg12 Mn2 Sb2",
"formula_reduced": "Mg6MnSb",
"formula_anonymous": "ABC6",
"energy": -45.52291639,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.13891639,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.4286067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.467000Z",
"spacegroup": 38
}
]
}