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=-density_atomic&page=10273",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10271",
"results": [
{
"id": "mp-1206042",
"created_at": "2022-09-04T14:42:45.726441Z",
"structure_string": "Lu6 Mn1 Sb2\n1.0\n3.993915 -6.917663 0.000000\n3.993915 6.917663 0.000000\n0.000000 0.000000 4.174481\nLu Mn Sb\n6 1 2\ndirect\n0.235146 0.000000 0.500000 Lu\n0.000000 0.235146 0.500000 Lu\n0.764854 0.764854 0.500000 Lu\n0.605113 0.000000 0.000000 Lu\n0.000000 0.605113 0.000000 Lu\n0.394887 0.394887 0.000000 Lu\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"Sb"
],
"chemical_system": "Lu-Mn-Sb",
"density": 9.705816109373032,
"density_atomic": 0.03901681425215493,
"volume": 230.6697810291603,
"volume_molar": 15.434732115955342,
"formula_full": "Lu6 Mn1 Sb2",
"formula_reduced": "Lu6MnSb2",
"formula_anonymous": "AB2C6",
"energy": -49.74426634000001,
"energy_per_atom": -5.527140704444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.36026634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0634959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.927000Z",
"spacegroup": 189
},
{
"id": "mp-1224518",
"created_at": "2022-09-04T14:45:27.772020Z",
"structure_string": "K1 Gd1 Nb6 Cl18\n1.0\n9.050634 -4.721233 0.000000\n9.050634 4.721233 0.000000\n6.587818 0.000000 7.797734\nK Gd Nb Cl\n1 1 6 18\ndirect\n0.722131 0.722131 0.722131 K\n0.998577 0.998577 0.998577 Gd\n0.350680 0.584601 0.703452 Nb\n0.584601 0.703452 0.350680 Nb\n0.703452 0.350680 0.584601 Nb\n0.649701 0.414350 0.297981 Nb\n0.414350 0.297981 0.649701 Nb\n0.297981 0.649701 0.414350 Nb\n0.842210 0.311220 0.026553 Cl\n0.311220 0.026553 0.842210 Cl\n0.026553 0.842210 0.311220 Cl\n0.158309 0.692094 0.970081 Cl\n0.692094 0.970081 0.158309 Cl\n0.970081 0.158309 0.692094 Cl\n0.563751 0.424453 0.839420 Cl\n0.424453 0.839420 0.563751 Cl\n0.839420 0.563751 0.424453 Cl\n0.437093 0.574711 0.161140 Cl\n0.574711 0.161140 0.437093 Cl\n0.161140 0.437093 0.574711 Cl\n0.227193 0.359061 0.915757 Cl\n0.359061 0.915757 0.227193 Cl\n0.915757 0.227193 0.359061 Cl\n0.773633 0.640982 0.083366 Cl\n0.640982 0.083366 0.773633 Cl\n0.083366 0.773632 0.640982 Cl\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"Gd",
"Nb",
"Cl"
],
"chemical_system": "Cl-Gd-K-Nb",
"density": 3.468462033642266,
"density_atomic": 0.03901579846588889,
"volume": 666.3967167743994,
"volume_molar": 15.435133963143409,
"formula_full": "K1 Gd1 Nb6 Cl18",
"formula_reduced": "KGd(NbCl3)6",
"formula_anonymous": "ABC6D18",
"energy": -158.6909613,
"energy_per_atom": -6.1034985115384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.6389613,
"band_gap": 0.3860000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.624000Z",
"spacegroup": 146
},
{
"id": "mp-1212342",
"created_at": "2022-09-04T14:42:17.119587Z",
"structure_string": "Ho16 Mg4 Co4\n1.0\n0.000000 6.750248 6.750248\n6.750248 0.000000 6.750248\n6.750248 6.750248 0.000000\nHo Mg Co\n16 4 4\ndirect\n0.345024 0.345024 0.345024 Ho\n0.345024 0.345024 0.964929 Ho\n0.345024 0.964929 0.345024 Ho\n0.964929 0.345024 0.345024 Ho\n0.813987 0.186013 0.186013 Ho\n0.186013 0.813987 0.813987 Ho\n0.186013 0.813987 0.186013 Ho\n0.813987 0.186013 0.813987 Ho\n0.186013 0.186013 0.813987 Ho\n0.813987 0.813987 0.186013 Ho\n0.936795 0.563205 0.563205 Ho\n0.563205 0.936795 0.936795 Ho\n0.563205 0.936795 0.563205 Ho\n0.936795 0.563205 0.936795 Ho\n0.563205 0.563205 0.936795 Ho\n0.936795 0.936795 0.563205 Ho\n0.579038 0.579038 0.579038 Mg\n0.579038 0.579038 0.262885 Mg\n0.579038 0.262885 0.579038 Mg\n0.262885 0.579038 0.579038 Mg\n0.141028 0.141028 0.141028 Co\n0.141028 0.141028 0.576916 Co\n0.141028 0.576916 0.141028 Co\n0.576916 0.141028 0.141028 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Co"
],
"chemical_system": "Co-Ho-Mg",
"density": 8.02204386252064,
"density_atomic": 0.03901414192720667,
"volume": 615.1615494909425,
"volume_molar": 15.435789338225677,
"formula_full": "Ho16 Mg4 Co4",
"formula_reduced": "Ho4MgCo",
"formula_anonymous": "ABC4",
"energy": -111.85513607,
"energy_per_atom": -4.660630669583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.85513607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026227,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.265000Z",
"spacegroup": 216
},
{
"id": "mp-1860",
"created_at": "2022-09-04T14:42:29.346168Z",
"structure_string": "La4 Si4\n1.0\n4.007043 0.000000 0.000000\n0.000000 6.052135 0.000000\n0.000000 0.000000 8.455463\nLa Si\n4 4\ndirect\n0.250000 0.386800 0.679726 La\n0.750000 0.613200 0.320274 La\n0.750000 0.886800 0.820274 La\n0.250000 0.113200 0.179726 La\n0.250000 0.883249 0.533326 Si\n0.750000 0.116751 0.466674 Si\n0.750000 0.383249 0.966674 Si\n0.250000 0.616751 0.033326 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Si"
],
"chemical_system": "La-Si",
"density": 5.409187962658933,
"density_atomic": 0.039013955448832835,
"volume": 205.05482994391775,
"volume_molar": 15.435863118001695,
"formula_full": "La4 Si4",
"formula_reduced": "LaSi",
"formula_anonymous": "AB",
"energy": -47.06844676,
"energy_per_atom": -5.883555845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.35244676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0640243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.312000Z",
"spacegroup": 62
},
{
"id": "mp-1096832",
"created_at": "2022-09-04T14:47:28.201009Z",
"structure_string": "Al8 Zn2 S14\n1.0\n6.170175 0.000000 0.000000\n0.000000 6.543228 0.000000\n0.000000 0.000000 15.237119\nAl Zn S\n8 2 14\ndirect\n0.577138 0.152686 0.874645 Al\n0.577138 0.152686 0.125355 Al\n0.077138 0.847314 0.625355 Al\n0.077138 0.847314 0.374645 Al\n0.576292 0.673923 0.755371 Al\n0.576292 0.673923 0.244629 Al\n0.076292 0.326077 0.744629 Al\n0.076292 0.326077 0.255371 Al\n0.611086 0.746324 0.500000 Zn\n0.111086 0.253676 0.000000 Zn\n0.446069 0.816057 0.629041 S\n0.446069 0.816057 0.370959 S\n0.946069 0.183943 0.870959 S\n0.946069 0.183943 0.129041 S\n0.462464 0.834516 0.873204 S\n0.462464 0.834516 0.126796 S\n0.962464 0.165484 0.626796 S\n0.962464 0.165484 0.373204 S\n0.450347 0.341445 0.757199 S\n0.450347 0.341445 0.242801 S\n0.950347 0.658555 0.742801 S\n0.950347 0.658555 0.257199 S\n0.971094 0.678627 0.500000 S\n0.471094 0.321373 0.000000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Zn",
"S"
],
"chemical_system": "Al-S-Zn",
"density": 2.147537361677574,
"density_atomic": 0.03901385333186316,
"volume": 615.1660999965585,
"volume_molar": 15.43590352066463,
"formula_full": "Al8 Zn2 S14",
"formula_reduced": "Al4ZnS7",
"formula_anonymous": "AB4C7",
"energy": -120.86549621,
"energy_per_atom": -5.0360623420833335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.82349621,
"band_gap": 3.0068,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.704000Z",
"spacegroup": 31
},
{
"id": "mp-21468",
"created_at": "2022-09-04T14:47:57.467826Z",
"structure_string": "Pu1 In1\n1.0\n3.216110 0.000000 0.000000\n0.000000 3.216110 0.000000\n0.000000 0.000000 4.956277\nPu In\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"In"
],
"chemical_system": "In-Pu",
"density": 11.62267139430341,
"density_atomic": 0.03901329541322276,
"volume": 51.26457477678599,
"volume_molar": 15.43612426536754,
"formula_full": "Pu1 In1",
"formula_reduced": "PuIn",
"formula_anonymous": "AB",
"energy": -17.44073977,
"energy_per_atom": -8.720369885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.44073977,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6739956,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.184000Z",
"spacegroup": 123
},
{
"id": "mp-1028182",
"created_at": "2022-09-04T14:47:40.102352Z",
"structure_string": "K1 Ca1 Mg14\n1.0\n6.634805 0.009587 0.000000\n-3.309100 5.731529 0.000000\n0.000000 0.000000 10.776013\nK Ca Mg\n1 1 14\ndirect\n0.167734 0.833866 0.125000 K\n0.172005 0.336002 0.125000 Ca\n0.165723 0.332861 0.625000 Mg\n0.166208 0.833103 0.625000 Mg\n0.664249 0.330337 0.125000 Mg\n0.667487 0.334039 0.625000 Mg\n0.664249 0.833911 0.125000 Mg\n0.667487 0.833447 0.625000 Mg\n0.341407 0.175033 0.392609 Mg\n0.341407 0.175033 0.857391 Mg\n0.341407 0.666375 0.392609 Mg\n0.341407 0.666375 0.857391 Mg\n0.828009 0.164005 0.378081 Mg\n0.828009 0.164005 0.871919 Mg\n0.821606 0.660804 0.384052 Mg\n0.821606 0.660804 0.865948 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Ca",
"Mg"
],
"chemical_system": "Ca-K-Mg",
"density": 1.698269241645652,
"density_atomic": 0.03901225563359269,
"volume": 410.12752890460183,
"volume_molar": 15.436535678840507,
"formula_full": "K1 Ca1 Mg14",
"formula_reduced": "KCaMg14",
"formula_anonymous": "ABC14",
"energy": -23.89167217,
"energy_per_atom": -1.493229510625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.89167217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.062000Z",
"spacegroup": 38
},
{
"id": "mp-1213529",
"created_at": "2022-09-04T14:39:39.198782Z",
"structure_string": "Ni3 Sn1 H12 O6 F6\n1.0\n-5.497869 -8.651055 0.182596\n-2.667201 7.233098 -0.000922\n0.098892 0.209847 -11.425027\nNi Sn H O F\n3 1 12 6 6\ndirect\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Sn\n0.733982 0.176399 0.912675 H\n0.266018 0.823601 0.087325 H\n0.877886 0.162792 0.579033 H\n0.122114 0.837208 0.420967 H\n0.573745 0.675415 0.721505 H\n0.426255 0.324585 0.278495 H\n0.906781 0.051840 0.691212 H\n0.093219 0.948160 0.308788 H\n0.666794 0.799293 0.835158 H\n0.333206 0.200707 0.164842 H\n0.872614 0.208447 0.841285 H\n0.127386 0.791553 0.158715 H\n0.885045 0.045777 0.598902 O\n0.114955 0.954223 0.401098 O\n0.557103 0.714809 0.797120 O\n0.442897 0.285191 0.202880 O\n0.831213 0.290074 0.870720 O\n0.168787 0.709926 0.129280 O\n0.953478 0.247716 0.070187 F\n0.046522 0.752284 0.929813 F\n0.926889 0.067805 0.807464 F\n0.073111 0.932195 0.192536 F\n0.729481 0.727403 0.001164 F\n0.270519 0.272597 0.998836 F\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ni",
"Sn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Ni-O-Sn",
"density": 1.1958451052210017,
"density_atomic": 0.03901221477802585,
"volume": 717.7239272191072,
"volume_molar": 15.436551844762352,
"formula_full": "Ni3 Sn1 H12 O6 F6",
"formula_reduced": "Ni3SnH12(OF)6",
"formula_anonymous": "AB3C6D6E12",
"energy": -140.18931375,
"energy_per_atom": -5.006761205357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.67231375,
"band_gap": 0.7037000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.365000Z",
"spacegroup": 2
},
{
"id": "mp-1112861",
"created_at": "2022-09-04T14:42:26.570241Z",
"structure_string": "K2 Li1 Ta1 Cl6\n1.0\n0.000000 5.041896 5.041896\n5.041896 0.000000 5.041896\n5.041896 5.041896 0.000000\nK Li Ta Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.754406 0.245594 0.245594 Cl\n0.245594 0.245594 0.754406 Cl\n0.245594 0.754406 0.754406 Cl\n0.245594 0.754406 0.245594 Cl\n0.754406 0.245594 0.754406 Cl\n0.754406 0.754406 0.245594 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ta",
"Cl"
],
"chemical_system": "Cl-K-Li-Ta",
"density": 3.1016640084058262,
"density_atomic": 0.03901111423689037,
"volume": 256.33720532246747,
"volume_molar": 15.436987324769204,
"formula_full": "K2 Li1 Ta1 Cl6",
"formula_reduced": "K2LiTaCl6",
"formula_anonymous": "ABC2D6",
"energy": -46.04598341,
"energy_per_atom": -4.604598341,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.36198340999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.99861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.876000Z",
"spacegroup": 225
},
{
"id": "mp-1016200",
"created_at": "2022-09-04T14:47:21.504156Z",
"structure_string": "Mg2 Ge2 As4\n1.0\n-3.010508 3.010508 5.656759\n3.010508 -3.010508 5.656759\n3.010508 3.010508 -5.656759\nMg Ge As\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.875000 0.398416 0.023416 As\n0.601584 0.625000 0.476584 As\n0.375000 0.851584 0.976584 As\n0.148416 0.125000 0.523416 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"As"
],
"chemical_system": "As-Ge-Mg",
"density": 3.9966511699982687,
"density_atomic": 0.039010610592671434,
"volume": 205.0724117992372,
"volume_molar": 15.43718662309614,
"formula_full": "Mg2 Ge2 As4",
"formula_reduced": "MgGeAs2",
"formula_anonymous": "ABC2",
"energy": -33.23072993,
"energy_per_atom": -4.15384124125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.23072993,
"band_gap": 0.9363,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.584000Z",
"spacegroup": 122
},
{
"id": "mp-29912",
"created_at": "2022-09-04T14:46:18.112402Z",
"structure_string": "Sb16 Mo8 Se8\n1.0\n6.577051 0.000000 0.000000\n0.000000 6.669606 0.000000\n0.000000 1.403663 18.699973\nSb Mo Se\n16 8 8\ndirect\n0.401914 0.199469 0.274074 Sb\n0.901914 0.800531 0.225926 Sb\n0.598086 0.800531 0.725926 Sb\n0.098086 0.199469 0.774074 Sb\n0.848905 0.200373 0.273675 Sb\n0.348905 0.799627 0.226325 Sb\n0.151095 0.799627 0.726325 Sb\n0.651095 0.200373 0.773675 Sb\n0.375422 0.074273 0.426188 Sb\n0.875422 0.925727 0.073812 Sb\n0.624578 0.925727 0.573812 Sb\n0.124578 0.074273 0.926188 Sb\n0.874560 0.074376 0.425893 Sb\n0.374560 0.925624 0.074107 Sb\n0.125440 0.925624 0.574107 Sb\n0.625440 0.074376 0.925893 Sb\n0.875632 0.674206 0.494842 Mo\n0.375632 0.325794 0.005158 Mo\n0.124368 0.325794 0.505158 Mo\n0.624368 0.674206 0.994842 Mo\n0.625112 0.325637 0.505320 Mo\n0.125112 0.674363 0.994680 Mo\n0.374888 0.674363 0.494680 Mo\n0.874888 0.325637 0.005320 Mo\n0.874779 0.412469 0.599496 Se\n0.374779 0.587531 0.900504 Se\n0.125221 0.587531 0.400504 Se\n0.625221 0.412469 0.099496 Se\n0.625549 0.587874 0.400673 Se\n0.125549 0.412126 0.099327 Se\n0.374451 0.412126 0.599327 Se\n0.874451 0.587874 0.900673 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"Se"
],
"chemical_system": "Mo-Sb-Se",
"density": 6.776089778134391,
"density_atomic": 0.03901014909461723,
"volume": 820.2993513914943,
"volume_molar": 15.437369248175875,
"formula_full": "Sb16 Mo8 Se8",
"formula_reduced": "Sb2MoSe",
"formula_anonymous": "ABC2",
"energy": -196.30853776,
"energy_per_atom": -6.134641805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.46053776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.2e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.333000Z",
"spacegroup": 14
},
{
"id": "mp-510374",
"created_at": "2022-09-04T14:40:12.686041Z",
"structure_string": "Gd1 As1\n1.0\n0.000000 2.948543 2.948543\n2.948543 0.000000 2.948543\n2.948543 2.948543 0.000000\nGd As\n1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"As"
],
"chemical_system": "As-Gd",
"density": 7.51979149854793,
"density_atomic": 0.039010148446887195,
"volume": 51.26871031324131,
"volume_molar": 15.437369504500143,
"formula_full": "Gd1 As1",
"formula_reduced": "GdAs",
"formula_anonymous": "AB",
"energy": -21.80053485,
"energy_per_atom": -10.900267425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.80053485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9972229,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.701000Z",
"spacegroup": 225
}
]
}