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{
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"results": [
{
"id": "mp-1210041",
"created_at": "2022-09-04T14:42:01.106123Z",
"structure_string": "Nb12 Al22 Ir2\n1.0\n4.477367 -7.755026 0.000000\n4.477367 7.755026 0.000000\n0.000000 0.000000 8.224996\nNb Al Ir\n12 22 2\ndirect\n0.339926 0.000000 0.062534 Nb\n0.660074 0.000000 0.937466 Nb\n0.000000 0.339926 0.062534 Nb\n0.660074 0.000000 0.562534 Nb\n0.000000 0.339926 0.437466 Nb\n0.000000 0.660074 0.937466 Nb\n0.339926 0.000000 0.437466 Nb\n0.000000 0.660074 0.562534 Nb\n0.660074 0.660074 0.062534 Nb\n0.339926 0.339926 0.937466 Nb\n0.339926 0.339926 0.562534 Nb\n0.660074 0.660074 0.437466 Nb\n0.160849 0.490905 0.750000 Al\n0.839151 0.509095 0.250000 Al\n0.509095 0.669944 0.750000 Al\n0.490905 0.160849 0.750000 Al\n0.490905 0.330056 0.250000 Al\n0.509095 0.839151 0.250000 Al\n0.330056 0.839151 0.750000 Al\n0.669944 0.509095 0.750000 Al\n0.669944 0.160849 0.250000 Al\n0.330056 0.490905 0.250000 Al\n0.839151 0.330056 0.750000 Al\n0.160849 0.669944 0.250000 Al\n0.333333 0.666667 0.500000 Al\n0.666667 0.333333 0.500000 Al\n0.666667 0.333333 0.000000 Al\n0.333333 0.666667 0.000000 Al\n0.166029 0.000000 0.750000 Al\n0.833971 0.000000 0.250000 Al\n0.000000 0.166029 0.750000 Al\n0.000000 0.833971 0.250000 Al\n0.833971 0.833971 0.750000 Al\n0.166029 0.166029 0.250000 Al\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Al-Ir-Nb",
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"volume": 571.178226041336,
"volume_molar": 9.554765767411174,
"formula_full": "Nb12 Al22 Ir2",
"formula_reduced": "Nb6Al11Ir",
"formula_anonymous": "AB6C11",
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"updated_at": "2021-11-28T01:35:36.412000Z",
"spacegroup": 193
},
{
"id": "mp-1220700",
"created_at": "2022-09-04T14:39:28.575623Z",
"structure_string": "Nb4 Al6 Ir2\n1.0\n2.608973 -4.518873 0.000000\n2.608973 4.518873 0.000000\n0.000000 0.000000 8.010199\nNb Al Ir\n4 6 2\ndirect\n0.333333 0.666667 0.426406 Nb\n0.666667 0.333333 0.573594 Nb\n0.666667 0.333333 0.926406 Nb\n0.333333 0.666667 0.073594 Nb\n0.830299 0.169701 0.250000 Al\n0.830299 0.660598 0.250000 Al\n0.339402 0.169701 0.250000 Al\n0.169701 0.830299 0.750000 Al\n0.169701 0.339402 0.750000 Al\n0.660598 0.830299 0.750000 Al\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Nb",
"density": 8.070389791605985,
"density_atomic": 0.06353429632563001,
"volume": 188.87436697963628,
"volume_molar": 9.478566865893882,
"formula_full": "Nb4 Al6 Ir2",
"formula_reduced": "Nb2Al3Ir",
"formula_anonymous": "AB2C3",
"energy": -88.08919101,
"energy_per_atom": -7.3407659175,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.328000Z",
"spacegroup": 194
},
{
"id": "mp-1221621",
"created_at": "2022-09-04T14:45:36.120422Z",
"structure_string": "Mn1 Al1 Ir1\n1.0\n0.000000 2.956977 2.956977\n2.956977 0.000000 2.956977\n2.956977 2.956977 0.000000\nMn Al Ir\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Mn",
"density": 8.803234250501909,
"density_atomic": 0.058015951525226726,
"volume": 51.7099163442235,
"volume_molar": 10.380146497091285,
"formula_full": "Mn1 Al1 Ir1",
"formula_reduced": "MnAlIr",
"formula_anonymous": "ABC",
"energy": -22.37310837,
"energy_per_atom": -7.45770279,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -22.37310837,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.983836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.292000Z",
"spacegroup": 216
},
{
"id": "mp-1093810",
"created_at": "2022-09-04T14:42:13.506624Z",
"structure_string": "Mn1 Al2 Ir1\n1.0\n-4.981722 5.170475 7.333085\n4.981722 -5.170475 7.333085\n4.981722 5.170475 -7.333085\nMn Al Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.264403 0.264403 Al\n0.000000 0.735597 0.735597 Al\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
"Ir"
],
"chemical_system": "Al-Ir-Mn",
"density": 0.6618039416123703,
"density_atomic": 0.005294236645966718,
"volume": 755.5385728832691,
"volume_molar": 113.74899088781413,
"formula_full": "Mn1 Al2 Ir1",
"formula_reduced": "MnAl2Ir",
"formula_anonymous": "ABC2",
"energy": -15.98822876,
"energy_per_atom": -3.99705719,
"energy_above_hull": null,
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"energy_uncorrected": -15.98822876,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.509000Z",
"spacegroup": 71
},
{
"id": "mp-1221720",
"created_at": "2022-09-04T14:42:51.195521Z",
"structure_string": "Mn1 Al1 Ir2\n1.0\n2.978784 0.000000 0.000000\n0.000000 2.978784 0.000000\n0.000000 0.000000 6.157422\nMn Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.243672 Ir\n0.500000 0.500000 0.756328 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Mn",
"density": 14.173838234872289,
"density_atomic": 0.07321213087328218,
"volume": 54.63575437960307,
"volume_molar": 8.225605085068903,
"formula_full": "Mn1 Al1 Ir2",
"formula_reduced": "MnAlIr2",
"formula_anonymous": "ABC2",
"energy": -32.7715602,
"energy_per_atom": -8.19289005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.7715602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.800000Z",
"spacegroup": 123
},
{
"id": "mp-864950",
"created_at": "2022-09-04T14:42:02.477248Z",
"structure_string": "Mn1 Al1 Ir2\n1.0\n0.000000 3.031857 3.031857\n3.031857 0.000000 3.031857\n3.031857 3.031857 0.000000\nMn Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Mn",
"density": 13.893391678411858,
"density_atomic": 0.07176354019132938,
"volume": 55.73861029341036,
"volume_molar": 8.391643923842551,
"formula_full": "Mn1 Al1 Ir2",
"formula_reduced": "MnAlIr2",
"formula_anonymous": "ABC2",
"energy": -32.94709733,
"energy_per_atom": -8.2367743325,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -32.94709733,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.723000Z",
"spacegroup": 225
},
{
"id": "mp-1185681",
"created_at": "2022-09-04T14:45:37.505381Z",
"structure_string": "Mg16 Al12 Ir1\n1.0\n7.580242 -4.376455 3.094621\n-0.093931 8.481755 2.941232\n-7.392381 -4.159532 2.941232\nMg Al Ir\n16 12 1\ndirect\n0.984476 0.000001 0.999999 Mg\n0.318401 0.588926 0.000000 Mg\n0.002975 0.356067 0.000000 Mg\n0.562864 0.248048 0.000000 Mg\n0.562864 0.000000 0.248048 Mg\n0.681235 0.671012 0.272573 Mg\n0.010224 0.601562 0.328989 Mg\n0.002975 0.000001 0.356067 Mg\n0.408662 0.727427 0.398439 Mg\n0.729476 0.411075 0.411075 Mg\n0.318401 0.000000 0.588926 Mg\n0.010224 0.328989 0.601562 Mg\n0.646905 0.643933 0.643933 Mg\n0.681235 0.272573 0.671011 Mg\n0.408662 0.398439 0.727428 Mg\n0.314817 0.751952 0.751952 Mg\n0.654362 0.808053 0.000000 Al\n0.811885 0.607473 0.000001 Al\n0.183381 0.817954 0.178389 Al\n0.365429 0.360435 0.182045 Al\n0.846308 0.191947 0.191947 Al\n0.365429 0.182045 0.360435 Al\n0.204412 0.392528 0.392528 Al\n0.811885 0.000000 0.607473 Al\n0.004993 0.821610 0.639565 Al\n0.654362 0.000000 0.808053 Al\n0.183382 0.178388 0.817954 Al\n0.004992 0.639565 0.821611 Al\n0.264793 0.000001 0.000000 Ir\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Mg",
"density": 2.6313498923727776,
"density_atomic": 0.0507853779473021,
"volume": 571.0305046876309,
"volume_molar": 11.85802095683708,
"formula_full": "Mg16 Al12 Ir1",
"formula_reduced": "Mg16Al12Ir",
"formula_anonymous": "AB12C16",
"energy": -81.07834523,
"energy_per_atom": -2.795805007931034,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:07.286000Z",
"spacegroup": 160
},
{
"id": "mp-865921",
"created_at": "2022-09-04T14:41:04.296320Z",
"structure_string": "Mg1 Al1 Ir2\n1.0\n0.000000 3.056323 3.056323\n3.056323 0.000000 3.056323\n3.056323 3.056323 0.000000\nMg Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Al",
"Ir"
],
"chemical_system": "Al-Ir-Mg",
"density": 12.671539583348165,
"density_atomic": 0.07005388847484129,
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"formula_full": "Mg1 Al1 Ir2",
"formula_reduced": "MgAlIr2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:13.914000Z",
"spacegroup": 225
},
{
"id": "mp-1210911",
"created_at": "2022-09-04T14:41:00.002930Z",
"structure_string": "Lu4 Al18 Ir6\n1.0\n3.783670 -6.502162 0.000000\n3.783670 6.502162 0.000000\n0.000000 0.000000 9.411104\nLu Al Ir\n4 18 6\ndirect\n0.995909 0.669377 0.250000 Lu\n0.004091 0.330623 0.750000 Lu\n0.669377 0.995909 0.250000 Lu\n0.330623 0.004091 0.750000 Lu\n0.125830 0.125830 0.250000 Al\n0.874170 0.874170 0.750000 Al\n0.000838 0.334531 0.074024 Al\n0.999162 0.665469 0.925976 Al\n0.999162 0.665469 0.574024 Al\n0.334531 0.000838 0.425976 Al\n0.000838 0.334531 0.425976 Al\n0.665469 0.999162 0.574024 Al\n0.665469 0.999162 0.925976 Al\n0.334531 0.000838 0.074024 Al\n0.333313 0.333313 0.556116 Al\n0.666687 0.666687 0.443884 Al\n0.666687 0.666687 0.056116 Al\n0.333313 0.333313 0.943884 Al\n0.337307 0.547268 0.250000 Al\n0.662693 0.452732 0.750000 Al\n0.547268 0.337307 0.250000 Al\n0.452732 0.662693 0.750000 Al\n0.672159 0.327841 0.000000 Ir\n0.327841 0.672159 0.000000 Ir\n0.327841 0.672159 0.500000 Ir\n0.672159 0.327841 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Al",
"Ir"
],
"chemical_system": "Al-Ir-Lu",
"density": 8.387018028308269,
"density_atomic": 0.06046672204234755,
"volume": 463.06462553717313,
"volume_molar": 9.959429842719812,
"formula_full": "Lu4 Al18 Ir6",
"formula_reduced": "Lu2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
"energy": -162.07149682,
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"energy_above_hull": null,
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"energy_uncorrected": -162.07149682,
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"updated_at": "2021-11-28T01:35:12.761000Z",
"spacegroup": 63
},
{
"id": "mp-1096540",
"created_at": "2022-09-04T14:41:13.442003Z",
"structure_string": "Li1 Al1 Ir2\n1.0\n-4.799895 5.268704 7.409010\n4.799895 -5.268704 7.409010\n4.799895 5.268704 -7.409010\nLi Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.264965 0.264965 Ir\n0.000000 0.735035 0.735035 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Li",
"density": 0.9269150824914755,
"density_atomic": 0.0053370869927736805,
"volume": 749.4725128925063,
"volume_molar": 112.8357242097397,
"formula_full": "Li1 Al1 Ir2",
"formula_reduced": "LiAlIr2",
"formula_anonymous": "ABC2",
"energy": -12.99515225,
"energy_per_atom": -3.2487880625,
"energy_above_hull": null,
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"energy_uncorrected": -12.99515225,
"band_gap": 0.0748000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.942000Z",
"spacegroup": 71
},
{
"id": "mp-11512",
"created_at": "2022-09-04T14:39:33.341576Z",
"structure_string": "Li1 Al2 Ir1\n1.0\n0.000000 3.022845 3.022845\n3.022845 0.000000 3.022845\n3.022845 3.022845 0.000000\nLi Al Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Al",
"Ir"
],
"chemical_system": "Al-Ir-Li",
"density": 7.608512798638761,
"density_atomic": 0.07240730099658158,
"volume": 55.24304793778799,
"volume_molar": 8.317035267319676,
"formula_full": "Li1 Al2 Ir1",
"formula_reduced": "LiAl2Ir",
"formula_anonymous": "ABC2",
"energy": -21.18331424,
"energy_per_atom": -5.29582856,
"energy_above_hull": null,
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"energy_uncorrected": -21.18331424,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:35.654000Z",
"spacegroup": 225
},
{
"id": "mp-1211311",
"created_at": "2022-09-04T14:46:52.501696Z",
"structure_string": "La4 Al18 Ir6\n1.0\n3.867140 -6.606284 0.000000\n3.867140 6.606284 0.000000\n0.000000 0.000000 9.675291\nLa Al Ir\n4 18 6\ndirect\n0.996269 0.669537 0.250000 La\n0.003731 0.330463 0.750000 La\n0.669537 0.996269 0.250000 La\n0.330463 0.003731 0.750000 La\n0.130920 0.130920 0.250000 Al\n0.869080 0.869080 0.750000 Al\n0.004693 0.335046 0.072145 Al\n0.995307 0.664954 0.927855 Al\n0.995307 0.664954 0.572145 Al\n0.335046 0.004693 0.427855 Al\n0.004693 0.335046 0.427855 Al\n0.664954 0.995307 0.572145 Al\n0.664954 0.995307 0.927855 Al\n0.335046 0.004693 0.072145 Al\n0.334972 0.334972 0.546505 Al\n0.665028 0.665028 0.453495 Al\n0.665028 0.665028 0.046505 Al\n0.334972 0.334972 0.953495 Al\n0.338162 0.543595 0.250000 Al\n0.661838 0.456405 0.750000 Al\n0.543595 0.338162 0.250000 Al\n0.456405 0.661838 0.750000 Al\n0.670528 0.329472 0.000000 Ir\n0.329472 0.670528 0.000000 Ir\n0.329472 0.670528 0.500000 Ir\n0.670528 0.329472 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-La",
"density": 7.37159791773787,
"density_atomic": 0.056639167976918973,
"volume": 494.3575444365687,
"volume_molar": 10.632466851303471,
"formula_full": "La4 Al18 Ir6",
"formula_reduced": "La2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
"energy": -163.58724332,
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"energy_uncorrected": -163.58724332,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0123568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.462000Z",
"spacegroup": 63
}
]
}