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=nsites&page=1732",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=1730",
"results": [
{
"id": "mp-1217985",
"created_at": "2022-09-04T14:39:27.982485Z",
"structure_string": "Ta2 Mn1 V3\n1.0\n4.271671 -2.515926 0.000000\n4.271671 2.515926 0.000000\n2.789843 0.000000 4.098028\nTa Mn V\n2 1 3\ndirect\n0.625348 0.625348 0.625348 Ta\n0.374652 0.374652 0.374652 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"V"
],
"chemical_system": "Mn-Ta-V",
"density": 10.73897803530949,
"density_atomic": 0.06811624105386944,
"volume": 88.08471969636324,
"volume_molar": 8.840976346944064,
"formula_full": "Ta2 Mn1 V3",
"formula_reduced": "Ta2MnV3",
"formula_anonymous": "AB2C3",
"energy": -61.50526314999999,
"energy_per_atom": -10.250877191666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.50526314999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.816000Z",
"spacegroup": 166
},
{
"id": "mp-1215210",
"created_at": "2022-09-04T14:39:29.184549Z",
"structure_string": "Zr1 Si1 W4\n1.0\n0.000000 3.771221 3.771221\n3.771221 0.000000 3.771221\n3.771221 3.771221 0.000000\nZr Si W\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Si\n0.374391 0.374391 0.374391 W\n0.374391 0.876826 0.374391 W\n0.876826 0.374391 0.374391 W\n0.374391 0.374391 0.876826 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"W"
],
"chemical_system": "Si-W-Zr",
"density": 13.230350722290876,
"density_atomic": 0.05593392607177674,
"volume": 107.26942343186407,
"volume_molar": 10.766526119178796,
"formula_full": "Zr1 Si1 W4",
"formula_reduced": "ZrSiW4",
"formula_anonymous": "ABC4",
"energy": -64.00951847,
"energy_per_atom": -10.668253078333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.00951847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.342000Z",
"spacegroup": 216
},
{
"id": "mp-1206486",
"created_at": "2022-09-04T14:39:27.784044Z",
"structure_string": "Sr1 In5\n1.0\n3.204271 -5.549959 0.000000\n3.204271 5.549959 0.000000\n0.000000 0.000000 5.171793\nSr In\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.000000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"In"
],
"chemical_system": "In-Sr",
"density": 5.973469514755592,
"density_atomic": 0.03261828377010345,
"volume": 183.94591334996443,
"volume_molar": 18.46246970700415,
"formula_full": "Sr1 In5",
"formula_reduced": "SrIn5",
"formula_anonymous": "AB5",
"energy": -16.29317012,
"energy_per_atom": -2.715528353333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.29317012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141782,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.116000Z",
"spacegroup": 191
},
{
"id": "mp-5646",
"created_at": "2022-09-04T14:39:34.847004Z",
"structure_string": "Nd2 Sn2 Au2\n1.0\n2.395642 -4.149374 0.000000\n2.395642 4.149374 0.000000\n0.000000 0.000000 7.686213\nNd Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.244139 Nd\n0.000000 0.000000 0.744139 Nd\n0.666667 0.333333 0.968887 Sn\n0.333333 0.666667 0.468887 Sn\n0.333333 0.666667 0.060974 Au\n0.666667 0.333333 0.560974 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Au"
],
"chemical_system": "Au-Nd-Sn",
"density": 9.995698006646483,
"density_atomic": 0.03926488587457673,
"volume": 152.80828827990777,
"volume_molar": 15.337217021937715,
"formula_full": "Nd2 Sn2 Au2",
"formula_reduced": "NdSnAu",
"formula_anonymous": "ABC",
"energy": -29.107377810000003,
"energy_per_atom": -4.851229635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.107377810000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.795000Z",
"spacegroup": 186
},
{
"id": "mp-1720",
"created_at": "2022-09-04T14:39:32.013225Z",
"structure_string": "Sm2 Ru4\n1.0\n0.000000 3.816843 3.816843\n3.816843 0.000000 3.816843\n3.816843 3.816843 0.000000\nSm Ru\n2 4\ndirect\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Sm\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Ru"
],
"chemical_system": "Ru-Sm",
"density": 10.52677474709732,
"density_atomic": 0.05395210152999232,
"volume": 111.20975513186565,
"volume_molar": 11.162013321487123,
"formula_full": "Sm2 Ru4",
"formula_reduced": "SmRu2",
"formula_anonymous": "AB2",
"energy": -47.72984446,
"energy_per_atom": -7.954974076666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.72984446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.157000Z",
"spacegroup": 227
},
{
"id": "mp-1094623",
"created_at": "2022-09-04T14:39:25.846319Z",
"structure_string": "Mg4 Ga2\n1.0\n1.558986 -2.700244 0.000000\n1.558986 2.700244 0.000000\n0.000000 0.000000 14.989432\nMg Ga\n4 2\ndirect\n0.333333 0.666667 0.083914 Mg\n0.666667 0.333333 0.260339 Mg\n0.333333 0.666667 0.739661 Mg\n0.666667 0.333333 0.916086 Mg\n0.333333 0.666667 0.423513 Ga\n0.666667 0.333333 0.576487 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.11404275667186,
"density_atomic": 0.04754346755296598,
"volume": 126.20030277168316,
"volume_molar": 12.666599787428234,
"formula_full": "Mg4 Ga2",
"formula_reduced": "Mg2Ga",
"formula_anonymous": "AB2",
"energy": -12.496011200000002,
"energy_per_atom": -2.0826685333333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.496011200000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.007000Z",
"spacegroup": 164
},
{
"id": "mp-1094179",
"created_at": "2022-09-04T14:39:35.032133Z",
"structure_string": "La2 Mg4\n1.0\n3.035580 -5.053110 0.000000\n3.035580 5.053110 0.000000\n0.000000 0.000000 5.538973\nLa Mg\n2 4\ndirect\n0.680891 0.680891 0.750000 La\n0.319109 0.319109 0.250000 La\n0.989284 0.325661 0.750000 Mg\n0.325661 0.989284 0.750000 Mg\n0.674339 0.010716 0.250000 Mg\n0.010716 0.674339 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 3.664852640746882,
"density_atomic": 0.035309500290609266,
"volume": 169.92593921233512,
"volume_molar": 17.055298745198094,
"formula_full": "La2 Mg4",
"formula_reduced": "LaMg2",
"formula_anonymous": "AB2",
"energy": -16.27328708,
"energy_per_atom": -2.712214513333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.27328708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.461000Z",
"spacegroup": 63
},
{
"id": "mp-1094393",
"created_at": "2022-09-04T14:39:35.110728Z",
"structure_string": "Y4 Mg2\n1.0\n3.021742 -5.233811 0.000000\n3.021742 5.233811 0.000000\n0.000000 0.000000 5.636683\nY Mg\n4 2\ndirect\n0.656181 0.000000 0.000000 Y\n0.343819 0.343819 0.000000 Y\n0.000000 0.656181 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.764889796494924,
"density_atomic": 0.03365287921514955,
"volume": 178.2908369189099,
"volume_molar": 17.894875269064666,
"formula_full": "Y4 Mg2",
"formula_reduced": "Y2Mg",
"formula_anonymous": "AB2",
"energy": -28.722171600000003,
"energy_per_atom": -4.7870286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.722171600000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0354456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.956000Z",
"spacegroup": 189
},
{
"id": "mp-1077377",
"created_at": "2022-09-04T14:39:25.850336Z",
"structure_string": "Yb2 Cu2 Pb2\n1.0\n2.358097 -4.084345 0.000000\n2.358097 4.084345 0.000000\n0.000000 0.000000 7.178349\nYb Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Pb"
],
"chemical_system": "Cu-Pb-Yb",
"density": 10.658940568004493,
"density_atomic": 0.04339229300283018,
"volume": 138.27340259729215,
"volume_molar": 13.878364896750716,
"formula_full": "Yb2 Cu2 Pb2",
"formula_reduced": "YbCuPb",
"formula_anonymous": "ABC",
"energy": -20.66962104,
"energy_per_atom": -3.44493684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.66962104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005765,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.006000Z",
"spacegroup": 194
},
{
"id": "mp-21351",
"created_at": "2022-09-04T14:39:33.387430Z",
"structure_string": "Dy4 In2\n1.0\n2.700779 -4.677886 0.000000\n2.700779 4.677886 0.000000\n0.000000 0.000000 6.728364\nDy In\n4 2\ndirect\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.750000 In\n0.333333 0.666667 0.250000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"In"
],
"chemical_system": "Dy-In",
"density": 8.5915977656626,
"density_atomic": 0.035291741890510514,
"volume": 170.01144399770533,
"volume_molar": 17.063880776083973,
"formula_full": "Dy4 In2",
"formula_reduced": "Dy2In",
"formula_anonymous": "AB2",
"energy": -26.01787359,
"energy_per_atom": -4.336312265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.01787359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8750431,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.113000Z",
"spacegroup": 194
},
{
"id": "mp-1222896",
"created_at": "2022-09-04T14:39:28.942424Z",
"structure_string": "La1 Ni3 Rh2\n1.0\n2.662863 -4.377590 0.000000\n2.662863 4.377590 0.000000\n0.000000 0.000000 4.048843\nLa Ni Rh\n1 3 2\ndirect\n0.500000 0.500000 0.000000 La\n0.156726 0.843274 0.000000 Ni\n0.843274 0.156726 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ni",
"Rh"
],
"chemical_system": "La-Ni-Rh",
"density": 9.161623849889553,
"density_atomic": 0.06356329632438831,
"volume": 94.39409764685044,
"volume_molar": 9.474242382375301,
"formula_full": "La1 Ni3 Rh2",
"formula_reduced": "LaNi3Rh2",
"formula_anonymous": "AB2C3",
"energy": -39.06939012,
"energy_per_atom": -6.51156502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.06939012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1139026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.805000Z",
"spacegroup": 65
},
{
"id": "mp-23891",
"created_at": "2022-09-04T14:39:26.072535Z",
"structure_string": "Na2 H2 O2\n1.0\n1.715912 -5.778878 0.000000\n1.715912 5.778878 0.000000\n0.000000 0.000000 3.419557\nNa H O\n2 2 2\ndirect\n0.337125 0.662875 0.250000 Na\n0.662875 0.337125 0.750000 Na\n0.051211 0.948789 0.250000 H\n0.948789 0.051211 0.750000 H\n0.864632 0.135368 0.750000 O\n0.135368 0.864632 0.250000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 1.958706287001338,
"density_atomic": 0.08847343108713274,
"volume": 67.81696975322367,
"volume_molar": 6.806722296176258,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy": -28.63235106,
"energy_per_atom": -4.77205851,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.25835106,
"band_gap": 2.802,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.710000Z",
"spacegroup": 63
}
]
}