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=-id&page=145",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=143",
"results": [
{
"id": "mp-978796",
"created_at": "2022-09-04T14:45:23.429424Z",
"structure_string": "Sm1 Dy1 In2\n1.0\n0.000000 3.801780 3.801780\n3.801780 0.000000 3.801780\n3.801780 3.801780 0.000000\nSm Dy In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Dy\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Dy",
"In"
],
"chemical_system": "Dy-In-Sm",
"density": 8.196995509047834,
"density_atomic": 0.0363972901415921,
"volume": 109.8982914507995,
"volume_molar": 16.54557451000548,
"formula_full": "Sm1 Dy1 In2",
"formula_reduced": "SmDyIn2",
"formula_anonymous": "ABC2",
"energy": -16.71256487,
"energy_per_atom": -4.1781412175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.71256487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.851000Z",
"spacegroup": 225
},
{
"id": "mp-978795",
"created_at": "2022-09-04T14:46:59.214227Z",
"structure_string": "Sm3 Hg1\n1.0\n-2.402948 2.402948 5.048807\n2.402948 -2.402948 5.048807\n2.402948 2.402948 -5.048807\nSm Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 9.27981503210887,
"density_atomic": 0.03430224031760613,
"volume": 116.61045934503996,
"volume_molar": 17.5561150066022,
"formula_full": "Sm3 Hg1",
"formula_reduced": "Sm3Hg",
"formula_anonymous": "AB3",
"energy": -15.05217968,
"energy_per_atom": -3.76304492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.05217968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1232594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.019000Z",
"spacegroup": 139
},
{
"id": "mp-978790",
"created_at": "2022-09-04T14:39:28.057354Z",
"structure_string": "Sm3 Ag1\n1.0\n-2.360920 2.360920 5.158550\n2.360920 -2.360920 5.158550\n2.360920 2.360920 -5.158550\nSm Ag\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Ag"
],
"chemical_system": "Ag-Sm",
"density": 8.069943261145738,
"density_atomic": 0.03477841722050638,
"volume": 115.01385973486688,
"volume_molar": 17.315741316856617,
"formula_full": "Sm3 Ag1",
"formula_reduced": "Sm3Ag",
"formula_anonymous": "AB3",
"energy": -16.91742199,
"energy_per_atom": -4.2293554975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.91742199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.008000Z",
"spacegroup": 139
},
{
"id": "mp-978785",
"created_at": "2022-09-04T14:42:42.641283Z",
"structure_string": "Si16 Mo4 Pt12\n1.0\n3.520819 0.000000 0.000000\n0.000000 5.562647 0.000000\n0.000000 0.000000 24.577115\nSi Mo Pt\n16 4 12\ndirect\n0.250000 0.178830 0.519600 Si\n0.750000 0.321170 0.019600 Si\n0.250000 0.678830 0.980400 Si\n0.750000 0.821170 0.480400 Si\n0.750000 0.320070 0.645814 Si\n0.250000 0.179930 0.145814 Si\n0.750000 0.820070 0.854186 Si\n0.250000 0.679930 0.354186 Si\n0.250000 0.660113 0.609774 Si\n0.750000 0.839887 0.109774 Si\n0.250000 0.160113 0.890226 Si\n0.750000 0.339887 0.390226 Si\n0.750000 0.830861 0.726195 Si\n0.250000 0.669139 0.226195 Si\n0.750000 0.330861 0.773805 Si\n0.250000 0.169139 0.273805 Si\n0.250000 0.504428 0.710011 Mo\n0.750000 0.995572 0.210011 Mo\n0.250000 0.004428 0.789989 Mo\n0.750000 0.495572 0.289989 Mo\n0.750000 0.000873 0.574681 Pt\n0.250000 0.499127 0.074681 Pt\n0.750000 0.500873 0.925319 Pt\n0.250000 0.999127 0.425319 Pt\n0.250000 0.003461 0.670126 Pt\n0.750000 0.496539 0.170126 Pt\n0.250000 0.503461 0.829874 Pt\n0.750000 0.996539 0.329874 Pt\n0.750000 0.501565 0.548179 Pt\n0.250000 0.998435 0.048179 Pt\n0.750000 0.001565 0.951821 Pt\n0.250000 0.498435 0.451821 Pt\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Si",
"Mo",
"Pt"
],
"chemical_system": "Mo-Pt-Si",
"density": 10.950111122282854,
"density_atomic": 0.0664804386844848,
"volume": 481.3445974968898,
"volume_molar": 9.05851537559942,
"formula_full": "Si16 Mo4 Pt12",
"formula_reduced": "Si4MoPt3",
"formula_anonymous": "AB3C4",
"energy": -223.516198,
"energy_per_atom": -6.9848811875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.516198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.788000Z",
"spacegroup": 62
},
{
"id": "mp-978771",
"created_at": "2022-09-04T14:45:22.474517Z",
"structure_string": "Sm2 B4 Ru4\n1.0\n0.000000 4.539109 4.962582\n3.285455 0.000000 4.962582\n3.285455 4.539109 0.000000\nSm B Ru\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Sm\n0.684976 0.315024 0.684976 B\n0.315024 0.684976 0.315024 B\n0.934976 0.565024 0.934976 B\n0.565024 0.934976 0.565024 B\n0.612817 0.612817 0.887183 Ru\n0.637183 0.637183 0.362817 Ru\n0.362817 0.362817 0.637183 Ru\n0.887183 0.887183 0.612817 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"B",
"Ru"
],
"chemical_system": "B-Ru-Sm",
"density": 8.394377849959573,
"density_atomic": 0.0675610162227194,
"volume": 148.01435145727135,
"volume_molar": 8.913632589757992,
"formula_full": "Sm2 B4 Ru4",
"formula_reduced": "Sm(BRu)2",
"formula_anonymous": "AB2C2",
"energy": -78.51573668,
"energy_per_atom": -7.851573668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.51573668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010925,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.621000Z",
"spacegroup": 70
},
{
"id": "mp-978744",
"created_at": "2022-09-04T14:47:10.956314Z",
"structure_string": "Sm2 Bi6\n1.0\n3.437540 -5.953994 0.000000\n3.437540 5.953994 0.000000\n0.000000 0.000000 6.074734\nSm Bi\n2 6\ndirect\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.750000 Sm\n0.827419 0.172581 0.750000 Bi\n0.345162 0.172581 0.750000 Bi\n0.827419 0.654838 0.750000 Bi\n0.172581 0.827419 0.250000 Bi\n0.654838 0.827419 0.250000 Bi\n0.172581 0.345162 0.250000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Bi"
],
"chemical_system": "Bi-Sm",
"density": 10.381378290341921,
"density_atomic": 0.03217188979965662,
"volume": 248.6642858041055,
"volume_molar": 18.718641638714914,
"formula_full": "Sm2 Bi6",
"formula_reduced": "SmBi3",
"formula_anonymous": "AB3",
"energy": -35.98311684,
"energy_per_atom": -4.497889605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.98311684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0230087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.341000Z",
"spacegroup": 194
},
{
"id": "mp-978695",
"created_at": "2022-09-04T14:47:37.900400Z",
"structure_string": "Sm2 Fe2 P2\n1.0\n3.823916 0.000000 0.000000\n0.000000 3.823916 0.000000\n0.000000 0.000000 7.427396\nSm Fe P\n2 2 2\ndirect\n0.500000 0.000000 0.688663 Sm\n0.000000 0.500000 0.311337 Sm\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.159386 P\n0.000000 0.500000 0.840614 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"P"
],
"chemical_system": "Fe-P-Sm",
"density": 7.252731908882948,
"density_atomic": 0.05524563678884171,
"volume": 108.60586190603664,
"volume_molar": 10.900663129321243,
"formula_full": "Sm2 Fe2 P2",
"formula_reduced": "SmFeP",
"formula_anonymous": "ABC",
"energy": -42.92569799,
"energy_per_atom": -7.154282998333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.92569799,
"band_gap": 0.0985000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014358,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.561000Z",
"spacegroup": 129
},
{
"id": "mp-978679",
"created_at": "2022-09-04T14:47:02.832330Z",
"structure_string": "Sm1 I1\n1.0\n1.944792 -3.368478 0.000000\n1.944792 3.368478 0.000000\n0.000000 0.000000 4.710818\nSm I\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"I"
],
"chemical_system": "I-Sm",
"density": 7.459506933129514,
"density_atomic": 0.032403863911611895,
"volume": 61.721034425258836,
"volume_molar": 18.58463785808572,
"formula_full": "Sm1 I1",
"formula_reduced": "SmI",
"formula_anonymous": "AB",
"energy": -8.39615083,
"energy_per_atom": -4.198075415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01715083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.315000Z",
"spacegroup": 187
},
{
"id": "mp-978678",
"created_at": "2022-09-04T14:46:59.372083Z",
"structure_string": "Sm2 B4 Os4\n1.0\n0.000000 4.535303 4.974645\n3.333913 0.000000 4.974645\n3.333913 4.535303 0.000000\nSm B Os\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Sm\n0.687824 0.312176 0.687824 B\n0.312176 0.687824 0.312176 B\n0.937824 0.562176 0.937824 B\n0.562176 0.937824 0.562176 B\n0.612598 0.612598 0.887402 Os\n0.637402 0.637402 0.362598 Os\n0.362598 0.362598 0.637402 Os\n0.887402 0.887402 0.612598 Os\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"B",
"Os"
],
"chemical_system": "B-Os-Sm",
"density": 12.195879436469033,
"density_atomic": 0.0664733154645982,
"volume": 150.43630560786028,
"volume_molar": 9.05948607784912,
"formula_full": "Sm2 B4 Os4",
"formula_reduced": "Sm(BOs)2",
"formula_anonymous": "AB2C2",
"energy": -85.57933742,
"energy_per_atom": -8.557933742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.57933742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.978000Z",
"spacegroup": 70
},
{
"id": "mp-978662",
"created_at": "2022-09-04T14:46:23.439373Z",
"structure_string": "Sc6 Al16 Ir7\n1.0\n0.000000 6.188230 6.188230\n6.188230 0.000000 6.188230\n6.188230 6.188230 0.000000\nSc Al Ir\n6 16 7\ndirect\n0.206192 0.793808 0.793808 Sc\n0.793808 0.206192 0.206192 Sc\n0.793808 0.206192 0.793808 Sc\n0.793808 0.793808 0.206192 Sc\n0.206192 0.793808 0.206192 Sc\n0.206192 0.206192 0.793808 Sc\n0.834876 0.834876 0.834876 Al\n0.834876 0.834876 0.495373 Al\n0.495373 0.834876 0.834876 Al\n0.834876 0.495373 0.834876 Al\n0.165124 0.165124 0.165124 Al\n0.165124 0.165124 0.504627 Al\n0.165124 0.504627 0.165124 Al\n0.504627 0.165124 0.165124 Al\n0.619969 0.619969 0.619969 Al\n0.619969 0.619969 0.140092 Al\n0.140092 0.619969 0.619969 Al\n0.619969 0.140092 0.619969 Al\n0.380031 0.380031 0.380031 Al\n0.380031 0.380031 0.859908 Al\n0.380031 0.859908 0.380031 Al\n0.859908 0.380031 0.380031 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Sc",
"density": 7.171812454549012,
"density_atomic": 0.061188338636530004,
"volume": 473.9465173628155,
"volume_molar": 9.841974621622962,
"formula_full": "Sc6 Al16 Ir7",
"formula_reduced": "Sc6Al16Ir7",
"formula_anonymous": "A6B7C16",
"energy": -185.05049095,
"energy_per_atom": -6.381051412068966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.05049095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0191515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.722000Z",
"spacegroup": 225
},
{
"id": "mp-978652",
"created_at": "2022-09-04T14:45:25.840091Z",
"structure_string": "Si2 Hg6\n1.0\n3.499025 -6.060489 0.000000\n3.499025 6.060489 0.000000\n0.000000 0.000000 4.508998\nSi Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.176257 0.352513 0.250000 Hg\n0.647487 0.823743 0.250000 Hg\n0.176257 0.823743 0.250000 Hg\n0.823743 0.647487 0.750000 Hg\n0.352513 0.176257 0.750000 Hg\n0.823743 0.176257 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Hg"
],
"chemical_system": "Hg-Si",
"density": 10.93843695564398,
"density_atomic": 0.0418335996520079,
"volume": 191.23384233123295,
"volume_molar": 14.395463957429143,
"formula_full": "Si2 Hg6",
"formula_reduced": "SiHg3",
"formula_anonymous": "AB3",
"energy": -9.25544139,
"energy_per_atom": -1.15693017375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.39744139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.743000Z",
"spacegroup": 194
},
{
"id": "mp-978640",
"created_at": "2022-09-04T14:39:27.197274Z",
"structure_string": "Sm1 Mo6 S8\n1.0\n4.647625 -4.565920 0.000000\n4.647625 4.565920 0.000000\n0.161972 0.000000 6.513203\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.561846 0.224093 0.419945 Mo\n0.224093 0.419945 0.561846 Mo\n0.580055 0.438154 0.775907 Mo\n0.419945 0.561846 0.224093 Mo\n0.775907 0.580055 0.438154 Mo\n0.438154 0.775907 0.580055 Mo\n0.372337 0.127222 0.752258 S\n0.241188 0.241188 0.241188 S\n0.872778 0.247742 0.627663 S\n0.752258 0.372337 0.127222 S\n0.247742 0.627663 0.872778 S\n0.127222 0.752258 0.372337 S\n0.758812 0.758812 0.758812 S\n0.627663 0.872778 0.247742 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sm",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sm",
"density": 5.902099273454099,
"density_atomic": 0.05426343374666773,
"volume": 276.42924460011966,
"volume_molar": 11.097972141082604,
"formula_full": "Sm1 Mo6 S8",
"formula_reduced": "Sm(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy": -120.51856536,
"energy_per_atom": -8.034571024,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.49456536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.016000Z",
"spacegroup": 148
}
]
}