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=-formula_full&page=12121",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=12119",
"results": [
{
"id": "mp-32811",
"created_at": "2022-09-04T14:43:57.413141Z",
"structure_string": "Ag4 Te2\n1.0\n2.539697 -3.779850 0.000000\n2.539697 3.779850 0.000000\n0.000000 0.000000 7.666760\nAg Te\n4 2\ndirect\n0.142578 0.857422 0.358007 Ag\n0.357422 0.642578 0.858007 Ag\n0.642578 0.357422 0.141993 Ag\n0.857422 0.142578 0.641993 Ag\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"Te"
],
"chemical_system": "Ag-Te",
"density": 7.746412268964627,
"density_atomic": 0.040761758804033474,
"volume": 147.1967887559917,
"volume_molar": 14.773996355142788,
"formula_full": "Ag4 Te2",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
"energy": -18.603697370000003,
"energy_per_atom": -3.1006162283333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.75969737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.648000Z",
"spacegroup": 64
},
{
"id": "mp-570431",
"created_at": "2022-09-04T14:39:20.731221Z",
"structure_string": "Ag4 Te12 I4\n1.0\n5.147745 0.000000 0.000000\n0.000000 8.806155 0.000000\n0.000000 0.000000 16.469045\nAg Te I\n4 12 4\ndirect\n0.300637 0.750000 0.250000 Ag\n0.300637 0.750000 0.750000 Ag\n0.699363 0.250000 0.250000 Ag\n0.699363 0.250000 0.750000 Ag\n0.372979 0.717869 0.000000 Te\n0.630910 0.858865 0.127067 Te\n0.372979 0.782131 0.500000 Te\n0.369090 0.141135 0.872933 Te\n0.627021 0.217869 0.500000 Te\n0.630910 0.641135 0.372933 Te\n0.369090 0.358865 0.372933 Te\n0.627021 0.282131 0.000000 Te\n0.369090 0.141135 0.127067 Te\n0.630910 0.858865 0.872933 Te\n0.369090 0.358865 0.627067 Te\n0.630910 0.641135 0.627067 Te\n0.000000 0.000000 0.677980 I\n0.000000 0.500000 0.822020 I\n0.000000 0.500000 0.177980 I\n0.000000 0.000000 0.322020 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Te",
"I"
],
"chemical_system": "Ag-I-Te",
"density": 5.494464735067228,
"density_atomic": 0.026789106492411344,
"volume": 746.5721189941695,
"volume_molar": 22.479811940371793,
"formula_full": "Ag4 Te12 I4",
"formula_reduced": "AgTe3I",
"formula_anonymous": "ABC3",
"energy": -58.55084526,
"energy_per_atom": -2.9275422630000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.03484526,
"band_gap": 1.0025,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001905,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.834000Z",
"spacegroup": 53
},
{
"id": "mp-1229187",
"created_at": "2022-09-04T14:41:16.963650Z",
"structure_string": "Ag4 Sn2 Hg3 Se9\n1.0\n7.576297 0.000000 0.000000\n-3.768231 6.586390 0.000000\n-0.109041 -0.084085 10.697330\nAg Sn Hg Se\n4 2 3 9\ndirect\n0.681979 0.675704 0.901998 Ag\n0.688002 0.344199 0.238597 Ag\n0.011201 0.678788 0.579496 Ag\n0.678598 0.010596 0.579300 Ag\n0.008078 0.006358 0.241896 Sn\n0.346731 0.346685 0.587764 Sn\n0.365925 0.020526 0.913743 Hg\n0.005868 0.357028 0.914209 Hg\n0.345759 0.701088 0.230014 Hg\n0.673636 0.673161 0.653406 Se\n0.343980 0.338128 0.332032 Se\n0.010467 0.009227 0.998709 Se\n0.356935 0.678421 0.985237 Se\n0.694039 0.018015 0.328441 Se\n0.017523 0.345615 0.655278 Se\n0.345754 0.017422 0.654849 Se\n0.679938 0.356663 0.994934 Se\n0.009587 0.686376 0.328100 Se\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"Hg",
"Se"
],
"chemical_system": "Ag-Hg-Se-Sn",
"density": 6.163396721994734,
"density_atomic": 0.03372039687135303,
"volume": 533.8015465438308,
"volume_molar": 17.859044728848005,
"formula_full": "Ag4 Sn2 Hg3 Se9",
"formula_reduced": "Ag4Sn2(HgSe3)3",
"formula_anonymous": "A2B3C4D9",
"energy": -59.95013782,
"energy_per_atom": -3.330563212222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.70213782,
"band_gap": 0.4034999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.425000Z",
"spacegroup": 1
},
{
"id": "mp-10963",
"created_at": "2022-09-04T14:42:48.397188Z",
"structure_string": "Ag4 Sn2 Hg2 Se8\n1.0\n7.171528 0.000000 0.000000\n0.000000 7.574920 0.000000\n0.000000 0.000000 8.624670\nAg Sn Hg Se\n4 2 2 8\ndirect\n0.491689 0.825600 0.747180 Ag\n0.991689 0.174400 0.247180 Ag\n0.991689 0.174400 0.752820 Ag\n0.491689 0.825600 0.252820 Ag\n0.478853 0.332482 0.500000 Sn\n0.978853 0.667518 0.000000 Sn\n0.976489 0.650300 0.500000 Hg\n0.476489 0.349700 0.000000 Hg\n0.359523 0.654809 0.500000 Se\n0.859523 0.345191 0.000000 Se\n0.841795 0.318536 0.500000 Se\n0.341795 0.681464 0.000000 Se\n0.862482 0.839004 0.756576 Se\n0.862482 0.839004 0.243424 Se\n0.362482 0.160996 0.256576 Se\n0.362482 0.160996 0.743424 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"Hg",
"Se"
],
"chemical_system": "Ag-Hg-Se-Sn",
"density": 6.031333391455092,
"density_atomic": 0.03414976714961909,
"volume": 468.5244244828903,
"volume_molar": 17.634500210837224,
"formula_full": "Ag4 Sn2 Hg2 Se8",
"formula_reduced": "Ag2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy": -55.57571741,
"energy_per_atom": -3.473482338125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.79971741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003126,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.058000Z",
"spacegroup": 31
},
{
"id": "mp-1214926",
"created_at": "2022-09-04T14:41:15.226456Z",
"structure_string": "Ag4 Sn2 Hg2 S8\n1.0\n0.000000 0.000000 -6.883656\n0.000000 -7.254870 0.000000\n-8.227038 0.000000 0.000000\nAg Sn Hg S\n4 2 2 8\ndirect\n0.515127 0.827005 0.753109 Ag\n0.015127 0.172995 0.746891 Ag\n0.015127 0.172995 0.253109 Ag\n0.515127 0.827005 0.246891 Ag\n0.998355 0.668664 0.000000 Sn\n0.498355 0.331336 0.500000 Sn\n0.512052 0.350309 0.000000 Hg\n0.012052 0.649691 0.500000 Hg\n0.886427 0.348844 0.000000 S\n0.386427 0.651156 0.500000 S\n0.885421 0.834991 0.758177 S\n0.385421 0.165009 0.741823 S\n0.385421 0.165009 0.258177 S\n0.885421 0.834991 0.241823 S\n0.354570 0.674539 0.000000 S\n0.854570 0.325461 0.500000 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"Hg",
"S"
],
"chemical_system": "Ag-Hg-S-Sn",
"density": 5.361600318849351,
"density_atomic": 0.038942845859111945,
"volume": 410.8585196337488,
"volume_molar": 15.46404898549787,
"formula_full": "Ag4 Sn2 Hg2 S8",
"formula_reduced": "Ag2SnHgS4",
"formula_anonymous": "ABC2D4",
"energy": -60.62188311,
"energy_per_atom": -3.788867694375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.59788311,
"band_gap": 0.0156999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.822000Z",
"spacegroup": 31
},
{
"id": "mp-663172",
"created_at": "2022-09-04T14:48:25.037437Z",
"structure_string": "Ag4 Se2 O8\n1.0\n0.000000 5.718265 6.409323\n3.001171 0.000000 6.409323\n3.001171 5.718265 0.000000\nAg Se O\n4 2 8\ndirect\n0.177686 0.578888 0.178327 Ag\n0.576993 0.180302 0.567028 Ag\n0.833020 0.420785 0.814807 Ag\n0.426061 0.820970 0.420442 Ag\n0.879368 0.865700 0.875669 Se\n0.127527 0.128907 0.117833 Se\n0.711142 0.187036 0.863553 O\n0.729547 0.862708 0.200105 O\n0.879139 0.721871 0.696616 O\n0.191518 0.713457 0.732533 O\n0.293766 0.806686 0.139335 O\n0.272809 0.123242 0.797601 O\n0.801831 0.291126 0.275581 O\n0.131934 0.263988 0.302408 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"Se",
"O"
],
"chemical_system": "Ag-O-Se",
"density": 5.415094399271529,
"density_atomic": 0.06364010130824377,
"volume": 219.9870790932647,
"volume_molar": 9.462808254863523,
"formula_full": "Ag4 Se2 O8",
"formula_reduced": "Ag2SeO4",
"formula_anonymous": "AB2C4",
"energy": -69.49089511,
"energy_per_atom": -4.963635365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.99489511,
"band_gap": 0.4815,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.429000Z",
"spacegroup": 2
},
{
"id": "mp-11641",
"created_at": "2022-09-04T14:46:25.388508Z",
"structure_string": "Ag4 Se2 O8\n1.0\n0.000000 5.718265 6.409323\n3.001171 0.000000 6.409323\n3.001171 5.718265 0.000000\nAg Se O\n4 2 8\ndirect\n0.198392 0.801608 0.198392 Ag\n0.801608 0.198392 0.801608 Ag\n0.051608 0.448392 0.051608 Ag\n0.448392 0.051608 0.448392 Ag\n0.500000 0.500000 0.500000 Se\n0.750000 0.750000 0.750000 Se\n0.355323 0.494256 0.821876 O\n0.328544 0.821876 0.494256 O\n0.821876 0.328544 0.355323 O\n0.494256 0.355323 0.328544 O\n0.894677 0.755744 0.428124 O\n0.921456 0.428124 0.755744 O\n0.755744 0.894677 0.921456 O\n0.428124 0.921456 0.894677 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"Se",
"O"
],
"chemical_system": "Ag-O-Se",
"density": 5.415094399271529,
"density_atomic": 0.06364010130824377,
"volume": 219.9870790932647,
"volume_molar": 9.462808254863523,
"formula_full": "Ag4 Se2 O8",
"formula_reduced": "Ag2SeO4",
"formula_anonymous": "AB2C4",
"energy": -69.70883449,
"energy_per_atom": -4.979202463571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.21283449,
"band_gap": 0.4263999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.76e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.042000Z",
"spacegroup": 70
},
{
"id": "mp-32758",
"created_at": "2022-09-04T14:41:02.923147Z",
"structure_string": "Ag4 Se2\n1.0\n2.479695 -3.636743 0.000000\n2.479695 3.636743 0.000000\n0.000000 0.000000 7.220818\nAg Se\n4 2\ndirect\n0.850619 0.149381 0.359787 Ag\n0.649381 0.350619 0.859787 Ag\n0.350619 0.649381 0.140213 Ag\n0.149381 0.850619 0.640213 Ag\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.514959619881475,
"density_atomic": 0.04607061163856962,
"volume": 130.23486744805643,
"volume_molar": 13.07154506053563,
"formula_full": "Ag4 Se2",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -19.45732027,
"energy_per_atom": -3.242886711666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.51332027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.215000Z",
"spacegroup": 64
},
{
"id": "mp-569052",
"created_at": "2022-09-04T14:42:11.232568Z",
"structure_string": "Ag4 Se12 I4\n1.0\n5.101597 0.000000 0.000000\n0.000000 8.251258 0.000000\n0.000000 0.000000 15.050090\nAg Se I\n4 12 4\ndirect\n0.697708 0.250000 0.750000 Ag\n0.302292 0.750000 0.250000 Ag\n0.302292 0.750000 0.750000 Ag\n0.697708 0.250000 0.250000 Ag\n0.385662 0.369795 0.621132 Se\n0.614338 0.869795 0.878868 Se\n0.600801 0.261043 0.000000 Se\n0.614338 0.869795 0.121132 Se\n0.399199 0.738957 0.000000 Se\n0.614338 0.630205 0.621132 Se\n0.385662 0.369795 0.378868 Se\n0.600801 0.238957 0.500000 Se\n0.399199 0.761043 0.500000 Se\n0.614338 0.630205 0.378868 Se\n0.385662 0.130205 0.121132 Se\n0.385662 0.130205 0.878868 Se\n0.000000 0.500000 0.165775 I\n0.000000 0.000000 0.334225 I\n0.000000 0.000000 0.665775 I\n0.000000 0.500000 0.834225 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Se",
"I"
],
"chemical_system": "Ag-I-Se",
"density": 4.944996330259913,
"density_atomic": 0.03156927317807804,
"volume": 633.5274140517166,
"volume_molar": 19.075956313691197,
"formula_full": "Ag4 Se12 I4",
"formula_reduced": "AgSe3I",
"formula_anonymous": "ABC3",
"energy": -62.83898554,
"energy_per_atom": -3.141949277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.322985540000005,
"band_gap": 1.3964,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.896000Z",
"spacegroup": 53
},
{
"id": "mp-1247876",
"created_at": "2022-09-04T14:39:23.487548Z",
"structure_string": "Ag4 Sb4 Te8\n1.0\n6.136512 0.000000 0.000000\n0.000000 6.136512 0.000000\n0.000000 0.000000 12.108707\nAg Sb Te\n4 4 8\ndirect\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.250000 Ag\n0.500000 0.500000 0.250000 Sb\n0.500000 0.500000 0.750000 Sb\n0.500000 -0.000000 0.250000 Sb\n0.000000 0.500000 0.750000 Sb\n0.000000 0.000000 -0.000000 Te\n0.500000 0.000000 0.997703 Te\n0.500000 0.000000 0.502297 Te\n0.000000 0.000000 0.250000 Te\n-0.000000 0.000000 0.500000 Te\n-0.000000 0.500000 0.002297 Te\n-0.000000 0.500000 0.497703 Te\n0.000000 0.000000 0.750000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 7.062460230207261,
"density_atomic": 0.0350896500103814,
"volume": 455.97490984567656,
"volume_molar": 17.162156813243588,
"formula_full": "Ag4 Sb4 Te8",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -55.59535853,
"energy_per_atom": -3.474709908125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.21935853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.441000Z",
"spacegroup": 131
},
{
"id": "mp-1182950",
"created_at": "2022-09-04T14:42:27.194541Z",
"structure_string": "Ag4 Sb4 S8\n1.0\n2.898245 7.454511 0.000000\n-2.898245 7.454511 0.000000\n0.000000 3.064414 13.573310\nAg Sb S\n4 4 8\ndirect\n0.988110 0.999243 0.003604 Ag\n0.500081 0.488446 0.503195 Ag\n0.488446 0.500081 0.003195 Ag\n0.999243 0.988110 0.503604 Ag\n0.620087 0.776471 0.859750 Sb\n0.219885 0.363173 0.658378 Sb\n0.776471 0.620087 0.359750 Sb\n0.363173 0.219885 0.158378 Sb\n0.598965 0.778291 0.198707 S\n0.802235 0.288215 0.364175 S\n0.691053 0.203228 0.143134 S\n0.203228 0.691053 0.643134 S\n0.214778 0.396141 0.319055 S\n0.396141 0.214778 0.819055 S\n0.778291 0.598965 0.698707 S\n0.288215 0.802235 0.864175 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb",
"density": 3.326818196548525,
"density_atomic": 0.027280351621800623,
"volume": 586.5027042838361,
"volume_molar": 22.075011508236976,
"formula_full": "Ag4 Sb4 S8",
"formula_reduced": "AgSbS2",
"formula_anonymous": "ABC2",
"energy": -66.69336408,
"energy_per_atom": -4.168335255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.66936408,
"band_gap": 1.7447999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017232,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.458000Z",
"spacegroup": 9
},
{
"id": "mp-627601",
"created_at": "2022-09-04T14:47:20.717647Z",
"structure_string": "Ag4 Sb4 S8\n1.0\n2.897240 6.858994 0.000000\n-2.897240 6.858994 0.000000\n0.000000 1.484151 13.497694\nAg Sb S\n4 4 8\ndirect\n0.994312 0.999375 0.008508 Ag\n0.494795 0.487181 0.500030 Ag\n0.487181 0.494795 0.000030 Ag\n0.999375 0.994312 0.508508 Ag\n0.661879 0.765143 0.863740 Sb\n0.228253 0.323104 0.652826 Sb\n0.765143 0.661879 0.363740 Sb\n0.323104 0.228253 0.152826 Sb\n0.528740 0.800227 0.212273 S\n0.815693 0.294473 0.370614 S\n0.675989 0.201440 0.139509 S\n0.201440 0.675989 0.639509 S\n0.188313 0.469481 0.302500 S\n0.469481 0.188313 0.802500 S\n0.800227 0.528740 0.712273 S\n0.294473 0.815693 0.870614 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb",
"density": 3.6371785214890067,
"density_atomic": 0.0298253475589446,
"volume": 536.4564476031264,
"volume_molar": 20.191351494222452,
"formula_full": "Ag4 Sb4 S8",
"formula_reduced": "AgSbS2",
"formula_anonymous": "ABC2",
"energy": -66.46499383999999,
"energy_per_atom": -4.1540621149999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.44099384,
"band_gap": 1.6033000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.670000Z",
"spacegroup": 9
}
]
}