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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10148",
"results": [
{
"id": "mp-1247056",
"created_at": "2022-09-04T14:42:03.146524Z",
"structure_string": "Mg2 Mn2 V2 S8\n1.0\n6.258370 -0.001064 3.611794\n2.068768 5.957592 3.639989\n-0.033326 0.011049 7.281180\nMg Mn V S\n2 2 2 8\ndirect\n0.873909 0.875867 0.875941 Mg\n0.126082 0.124127 0.124093 Mg\n0.499994 0.500072 0.999967 Mn\n0.500005 0.000024 0.499932 Mn\n0.499944 0.499998 0.499999 V\n0.000054 0.499990 0.500019 V\n0.739395 0.736837 0.736818 S\n0.259367 0.266219 0.715294 S\n0.259355 0.715267 0.266259 S\n0.712913 0.263159 0.263192 S\n0.740641 0.284756 0.733686 S\n0.287073 0.736830 0.736810 S\n0.260622 0.263124 0.263221 S\n0.740650 0.733723 0.284770 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"V",
"S"
],
"chemical_system": "Mg-Mn-S-V",
"density": 3.1550860555856897,
"density_atomic": 0.05146272536048859,
"volume": 272.04155827216925,
"volume_molar": 11.701946832033897,
"formula_full": "Mg2 Mn2 V2 S8",
"formula_reduced": "MgMnVS4",
"formula_anonymous": "ABCD4",
"energy": -89.10279116,
"energy_per_atom": -6.364485082857143,
"energy_above_hull": null,
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"energy_uncorrected": -85.07879116,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.020000Z",
"spacegroup": 74
},
{
"id": "mp-1247089",
"created_at": "2022-09-04T14:48:25.942075Z",
"structure_string": "Mg2 Mn2 W2 S8\n1.0\n5.951095 -0.002213 3.431785\n1.839552 6.140431 3.677111\n-0.298034 0.090449 7.378917\nMg Mn W S\n2 2 2 8\ndirect\n0.861784 0.886935 0.885784 Mg\n0.104437 0.147151 0.146214 Mg\n0.511636 0.497813 0.978689 Mn\n0.512699 0.976869 0.497156 Mn\n0.450159 0.501355 0.501166 W\n0.047846 0.501243 0.501039 W\n0.770874 0.725865 0.726086 S\n0.261478 0.228831 0.748655 S\n0.261265 0.749033 0.228879 S\n0.694093 0.275159 0.275970 S\n0.745906 0.289554 0.718940 S\n0.275478 0.726348 0.726590 S\n0.255889 0.275335 0.276005 S\n0.746462 0.718504 0.288828 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"W",
"S"
],
"chemical_system": "Mg-Mn-S-W",
"density": 4.733909148052525,
"density_atomic": 0.050993079667822086,
"volume": 274.54705797724847,
"volume_molar": 11.809721631306223,
"formula_full": "Mg2 Mn2 W2 S8",
"formula_reduced": "MgMnWS4",
"formula_anonymous": "ABCD4",
"energy": -94.26736691,
"energy_per_atom": -6.733383350714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.24336691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.3773577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.953000Z",
"spacegroup": 44
},
{
"id": "mp-1247384",
"created_at": "2022-09-04T14:42:24.244333Z",
"structure_string": "Mg2 Mn1 W3 S8\n1.0\n6.054668 0.004782 3.489229\n2.022784 6.316505 3.497417\n-0.004981 0.007269 6.986025\nMg Mn W S\n2 1 3 8\ndirect\n0.857798 0.925574 0.857823 Mg\n0.105493 0.184607 0.104880 Mg\n0.523701 0.930112 0.523067 Mn\n0.465928 0.507334 0.466063 W\n0.465872 0.507695 0.060599 W\n0.060301 0.507232 0.466314 W\n0.762318 0.706254 0.762612 S\n0.278489 0.237751 0.706427 S\n0.239122 0.780653 0.239675 S\n0.706769 0.238197 0.278100 S\n0.726503 0.320812 0.726809 S\n0.268951 0.707593 0.761242 S\n0.277497 0.238864 0.277485 S\n0.761264 0.707318 0.268906 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"W",
"S"
],
"chemical_system": "Mg-Mn-S-W",
"density": 5.66694189537074,
"density_atomic": 0.052411800220833686,
"volume": 267.1154194477564,
"volume_molar": 11.490047536291646,
"formula_full": "Mg2 Mn1 W3 S8",
"formula_reduced": "Mg2MnW3S8",
"formula_anonymous": "AB2C3D8",
"energy": -98.46529175,
"energy_per_atom": -7.033235125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.44129175,
"band_gap": 0.3122999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.315000Z",
"spacegroup": 160
},
{
"id": "mp-1247202",
"created_at": "2022-09-04T14:42:22.493292Z",
"structure_string": "Mg2 Mn3 W1 S8\n1.0\n6.339608 -0.002750 3.659898\n2.110774 5.975813 3.659733\n-0.003184 -0.002528 7.325367\nMg Mn W S\n2 3 1 8\ndirect\n0.869635 0.869544 0.869762 Mg\n0.130329 0.130513 0.130235 Mg\n0.499984 0.499955 0.000053 Mn\n0.000036 0.500086 0.499884 Mn\n0.500144 0.999919 0.499926 Mn\n0.499878 0.500007 0.500097 W\n0.734106 0.734043 0.734067 S\n0.265226 0.265239 0.721376 S\n0.265286 0.721171 0.265302 S\n0.721218 0.265380 0.265314 S\n0.734642 0.278856 0.734737 S\n0.278776 0.734594 0.734782 S\n0.266005 0.266003 0.265851 S\n0.734741 0.734684 0.278614 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"W",
"S"
],
"chemical_system": "Mg-Mn-S-W",
"density": 3.9098307078592844,
"density_atomic": 0.05041996198040236,
"volume": 277.66780160289755,
"volume_molar": 11.943961326945734,
"formula_full": "Mg2 Mn3 W1 S8",
"formula_reduced": "Mg2Mn3WS8",
"formula_anonymous": "AB2C3D8",
"energy": -90.43820818,
"energy_per_atom": -6.459872012857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.41420818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.3973937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.652000Z",
"spacegroup": 166
},
{
"id": "mp-1246677",
"created_at": "2022-09-04T14:46:07.867181Z",
"structure_string": "Y2 Mg2 Mn2 S8\n1.0\n6.735910 -0.000602 3.889229\n2.306493 6.149832 3.782266\n0.117640 -0.047919 7.574707\nY Mg Mn S\n2 2 2 8\ndirect\n0.500114 0.499872 0.500068 Y\n0.999947 0.499844 0.500082 Y\n0.875790 0.874148 0.874329 Mg\n0.124187 0.125967 0.125602 Mg\n0.500235 0.499863 0.999859 Mn\n0.499919 0.000013 0.499991 Mn\n0.714525 0.755744 0.755794 S\n0.270747 0.232788 0.725693 S\n0.270719 0.725804 0.232835 S\n0.725957 0.244234 0.244266 S\n0.729051 0.274479 0.767311 S\n0.274016 0.755782 0.755717 S\n0.285489 0.244296 0.244198 S\n0.729306 0.767161 0.274255 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Y",
"density": 3.157471046828543,
"density_atomic": 0.044905246744831956,
"volume": 311.7675776185603,
"volume_molar": 13.410773120165686,
"formula_full": "Y2 Mg2 Mn2 S8",
"formula_reduced": "YMgMnS4",
"formula_anonymous": "ABCD4",
"energy": -89.29660681,
"energy_per_atom": -6.378329057857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.27260681,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0002664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.115000Z",
"spacegroup": 74
},
{
"id": "mp-1246382",
"created_at": "2022-09-04T14:44:28.373662Z",
"structure_string": "Y1 Mg2 Mn3 S8\n1.0\n6.463425 0.035572 3.789100\n2.187879 6.083056 3.789285\n0.048644 0.034651 7.493850\nY Mg Mn S\n1 2 3 8\ndirect\n0.500010 0.500002 0.499983 Y\n0.874138 0.874064 0.873935 Mg\n0.125870 0.125926 0.126078 Mg\n0.500000 0.500002 0.000002 Mn\n0.999996 0.500068 0.499967 Mn\n0.499961 0.999977 0.499994 Mn\n0.739600 0.739522 0.739608 S\n0.244841 0.244903 0.720607 S\n0.244761 0.720724 0.244857 S\n0.720670 0.244795 0.244802 S\n0.755235 0.279276 0.755136 S\n0.279340 0.755179 0.755209 S\n0.260406 0.260464 0.260417 S\n0.755176 0.755095 0.279407 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Y",
"density": 3.1739334271863826,
"density_atomic": 0.047883017148488125,
"volume": 292.37923660042463,
"volume_molar": 12.57677798649358,
"formula_full": "Y1 Mg2 Mn3 S8",
"formula_reduced": "YMg2Mn3S8",
"formula_anonymous": "AB2C3D8",
"energy": -88.19939773,
"energy_per_atom": -6.299956980714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.17539773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0005051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.840000Z",
"spacegroup": 166
},
{
"id": "mp-1247272",
"created_at": "2022-09-04T14:41:15.561051Z",
"structure_string": "Y3 Mg2 Mn1 S8\n1.0\n6.765733 0.010133 3.901894\n2.256724 6.270941 3.915556\n-0.006685 0.012205 7.815358\nY Mg Mn S\n3 2 1 8\ndirect\n0.500013 0.500022 0.499963 Y\n0.500004 0.499991 0.999989 Y\n0.999999 0.500000 0.499983 Y\n0.875290 0.874145 0.875395 Mg\n0.124721 0.125843 0.124586 Mg\n0.499947 0.999995 0.500172 Mn\n0.731416 0.766687 0.731227 S\n0.267176 0.235168 0.730776 S\n0.254475 0.736371 0.254237 S\n0.730678 0.235106 0.267325 S\n0.745526 0.263626 0.745723 S\n0.269321 0.764897 0.732650 S\n0.268596 0.233298 0.268775 S\n0.732841 0.764846 0.269202 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Y",
"density": 3.1410486821897963,
"density_atomic": 0.042250767148812526,
"volume": 331.3549302120417,
"volume_molar": 14.253328794692086,
"formula_full": "Y3 Mg2 Mn1 S8",
"formula_reduced": "Y3Mg2MnS8",
"formula_anonymous": "AB2C3D8",
"energy": -90.68676258,
"energy_per_atom": -6.4776258985714295,
"energy_above_hull": null,
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"energy_uncorrected": -86.66276258,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.027000Z",
"spacegroup": 166
},
{
"id": "mp-1215805",
"created_at": "2022-09-04T14:41:52.163351Z",
"structure_string": "Yb4 Mg1 Mn1 S8\n1.0\n0.000000 5.535259 5.535259\n5.535259 0.000000 5.535259\n5.535259 5.535259 0.000000\nYb Mg Mn S\n4 1 1 8\ndirect\n0.638316 0.120561 0.120561 Yb\n0.120561 0.638316 0.120561 Yb\n0.120561 0.120561 0.638316 Yb\n0.120561 0.120561 0.120561 Yb\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mn\n0.367151 0.877616 0.877616 S\n0.877616 0.367151 0.877616 S\n0.877616 0.877616 0.367151 S\n0.877616 0.877616 0.877616 S\n0.831676 0.389441 0.389441 S\n0.389441 0.831676 0.389441 S\n0.389441 0.389441 0.831676 S\n0.389441 0.389441 0.389441 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Yb",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Yb",
"density": 5.032292358997814,
"density_atomic": 0.04127472608473541,
"volume": 339.1906216714447,
"volume_molar": 14.590383344123904,
"formula_full": "Yb4 Mg1 Mn1 S8",
"formula_reduced": "Yb4MgMnS8",
"formula_anonymous": "ABC4D8",
"energy": -71.77359479,
"energy_per_atom": -5.126685342142857,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.534000Z",
"spacegroup": 216
},
{
"id": "mp-1221974",
"created_at": "2022-09-04T14:43:07.366313Z",
"structure_string": "Mg2 Mn2 Te8\n1.0\n7.020931 0.000000 0.000000\n0.000000 7.018815 0.000000\n0.000000 0.007226 7.034494\nMg Mn Te\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.881081 0.618510 0.890498 Te\n0.381081 0.881490 0.109502 Te\n0.111733 0.111931 0.620767 Te\n0.611733 0.388069 0.379233 Te\n0.118919 0.381490 0.109502 Te\n0.618919 0.118510 0.890498 Te\n0.888267 0.888069 0.379233 Te\n0.388267 0.611931 0.620767 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 5.64906939006306,
"density_atomic": 0.034617036185060235,
"volume": 346.65012729133844,
"volume_molar": 17.396465508502978,
"formula_full": "Mg2 Mn2 Te8",
"formula_reduced": "MgMnTe4",
"formula_anonymous": "ABC4",
"energy": -53.9378012,
"energy_per_atom": -4.494816766666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -50.56180119999999,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.8250061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.056000Z",
"spacegroup": 14
},
{
"id": "mp-1221936",
"created_at": "2022-09-04T14:48:27.803226Z",
"structure_string": "Mg1 Mn1 Te2\n1.0\n4.552757 0.000000 0.000000\n0.000000 4.552757 0.000000\n0.000000 0.000000 6.411514\nMg Mn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.259046 Te\n0.500000 0.000000 0.740954 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 4.1788976056156,
"density_atomic": 0.03009888827120434,
"volume": 132.89527387052388,
"volume_molar": 20.00785113967612,
"formula_full": "Mg1 Mn1 Te2",
"formula_reduced": "MgMnTe2",
"formula_anonymous": "ABC2",
"energy": -19.81648555,
"energy_per_atom": -4.9541213875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -18.97248555,
"band_gap": 0.9141,
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"is_magnetic": true,
"total_magnetization": 4.9994844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.213000Z",
"spacegroup": 115
},
{
"id": "mp-1221976",
"created_at": "2022-09-04T14:39:31.795745Z",
"structure_string": "Mg1 Mn3 Te4\n1.0\n4.544809 0.000000 0.000000\n0.000000 4.544809 0.000000\n0.000000 0.000000 12.784993\nMg Mn Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.749751 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.250249 Mn\n0.000000 0.500000 0.625234 Te\n0.500000 0.000000 0.374766 Te\n0.000000 0.500000 0.129810 Te\n0.500000 0.000000 0.870190 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 4.398624908300679,
"density_atomic": 0.030294111519774635,
"volume": 264.0777233152377,
"volume_molar": 19.878915267308688,
"formula_full": "Mg1 Mn3 Te4",
"formula_reduced": "MgMn3Te4",
"formula_anonymous": "AB3C4",
"energy": -45.49484936,
"energy_per_atom": -5.68685617,
"energy_above_hull": null,
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"energy_uncorrected": -43.80684936,
"band_gap": 0.3522000000000003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.838000Z",
"spacegroup": 115
},
{
"id": "mp-1222145",
"created_at": "2022-09-04T14:43:35.192851Z",
"structure_string": "Mg3 Mn1 Te4\n1.0\n4.583638 0.000000 0.000000\n0.000000 4.583638 0.000000\n0.000000 0.000000 12.902188\nMg Mn Te\n3 1 4\ndirect\n0.000000 0.000000 0.751243 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.248757 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.374798 Te\n0.500000 0.000000 0.120192 Te\n0.000000 0.500000 0.879808 Te\n0.500000 0.000000 0.625202 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 3.909831170726224,
"density_atomic": 0.029512499909606547,
"volume": 271.0715806693129,
"volume_molar": 20.405390185328717,
"formula_full": "Mg3 Mn1 Te4",
"formula_reduced": "Mg3MnTe4",
"formula_anonymous": "AB3C4",
"energy": -33.64234323,
"energy_per_atom": -4.20529290375,
"energy_above_hull": null,
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"energy_uncorrected": -31.95434323,
"band_gap": 1.1158,
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"is_magnetic": true,
"total_magnetization": 5.0200098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.289000Z",
"spacegroup": 115
}
]
}