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_anonymous&page=11477",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=11475",
"results": [
{
"id": "mp-696298",
"created_at": "2022-09-04T14:41:02.311621Z",
"structure_string": "B4 H8 C4 O4\n1.0\n2.255588 5.589212 0.000000\n-2.255588 5.589212 0.000000\n0.000000 2.659057 11.496225\nB H C O\n4 8 4 4\ndirect\n0.339670 0.515705 0.999863 B\n0.484295 0.660330 0.500137 B\n0.660330 0.484295 0.000137 B\n0.515705 0.339670 0.499863 B\n0.869546 0.258722 0.061783 H\n0.741278 0.130454 0.438217 H\n0.130454 0.741278 0.938217 H\n0.258722 0.869546 0.561783 H\n0.264440 0.430496 0.488108 H\n0.569504 0.735560 0.011892 H\n0.735560 0.569504 0.511892 H\n0.430496 0.264440 0.988108 H\n0.189850 0.587121 0.121680 C\n0.412879 0.810150 0.378320 C\n0.810150 0.412879 0.878320 C\n0.587121 0.189850 0.621680 C\n0.083397 0.637802 0.217121 O\n0.362198 0.916603 0.282879 O\n0.916603 0.362198 0.782879 O\n0.637802 0.083397 0.717121 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 0.935765645966765,
"density_atomic": 0.06899766388615942,
"volume": 289.8648863387373,
"volume_molar": 8.728035734566383,
"formula_full": "B4 H8 C4 O4",
"formula_reduced": "BH2CO",
"formula_anonymous": "ABCD2",
"energy": -119.91738391,
"energy_per_atom": -5.9958691955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.73738391,
"band_gap": 4.0087,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002092,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.302000Z",
"spacegroup": 15
},
{
"id": "mp-1219572",
"created_at": "2022-09-04T14:41:05.189337Z",
"structure_string": "Rb1 Li1 Mn1 S2\n1.0\n-1.967377 1.967377 6.495512\n1.967377 -1.967377 6.495512\n1.967377 1.967377 -6.495512\nRb Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Mn\n0.662458 0.662458 0.000000 S\n0.337542 0.337542 0.000000 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-Rb-S",
"density": 3.4919125552309307,
"density_atomic": 0.04971889224203019,
"volume": 100.56539425014014,
"volume_molar": 12.11237919518477,
"formula_full": "Rb1 Li1 Mn1 S2",
"formula_reduced": "RbLiMnS2",
"formula_anonymous": "ABCD2",
"energy": -25.88558806,
"energy_per_atom": -5.177117612,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.87958806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9812575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.038000Z",
"spacegroup": 119
},
{
"id": "mp-849636",
"created_at": "2022-09-04T14:41:57.616888Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.095767 4.014918 0.000000\n-4.095767 4.014918 0.000000\n0.000000 0.010062 8.175969\nSr Ta N O\n4 4 4 8\ndirect\n0.001516 0.998484 0.500000 Sr\n0.509564 0.490436 0.500000 Sr\n0.499663 0.500337 0.000000 Sr\n0.993828 0.006172 0.000000 Sr\n0.489362 0.006000 0.243132 Ta\n0.507566 0.990147 0.755224 Ta\n0.994000 0.510638 0.756868 Ta\n0.009853 0.492434 0.244776 Ta\n0.770320 0.770966 0.745870 N\n0.476845 0.974845 0.000187 N\n0.025155 0.523155 0.999813 N\n0.229034 0.229680 0.254130 N\n0.776738 0.777330 0.258991 O\n0.969740 0.474607 0.499624 O\n0.272772 0.724551 0.717334 O\n0.726623 0.276093 0.231518 O\n0.275449 0.727228 0.282666 O\n0.723907 0.273377 0.768482 O\n0.525393 0.030260 0.500376 O\n0.222670 0.223262 0.741009 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.770516795279141,
"density_atomic": 0.07437874421428554,
"volume": 268.8940262607809,
"volume_molar": 8.096588378327795,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.04559562,
"energy_per_atom": -9.102279781,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.10559562,
"band_gap": 0.6684999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.717000Z",
"spacegroup": 5
},
{
"id": "mp-23138",
"created_at": "2022-09-04T14:41:54.260148Z",
"structure_string": "Sb2 Pb2 Cl2 O4\n1.0\n2.837509 -6.287420 0.000000\n2.837509 6.287420 0.000000\n0.000000 0.000000 5.505813\nSb Pb Cl O\n2 2 2 4\ndirect\n0.077984 0.922016 0.250000 Sb\n0.922016 0.077984 0.750000 Sb\n0.381326 0.618674 0.250000 Pb\n0.618674 0.381326 0.750000 Pb\n0.252995 0.747005 0.750000 Cl\n0.747005 0.252995 0.250000 Cl\n0.227656 0.227656 0.500000 O\n0.772344 0.772344 0.000000 O\n0.772344 0.772344 0.500000 O\n0.227656 0.227656 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sb",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Sb",
"density": 6.701383844347716,
"density_atomic": 0.050902466590800624,
"volume": 196.45413414616837,
"volume_molar": 11.830744487121482,
"formula_full": "Sb2 Pb2 Cl2 O4",
"formula_reduced": "SbPbClO2",
"formula_anonymous": "ABCD2",
"energy": -56.28151793,
"energy_per_atom": -5.628151793,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.30551793,
"band_gap": 1.9127,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.437000Z",
"spacegroup": 63
},
{
"id": "mp-567478",
"created_at": "2022-09-04T14:41:53.797243Z",
"structure_string": "Mn4 Sb4 Se8 Br4\n1.0\n3.983781 0.000000 0.000000\n0.000000 10.102985 0.000000\n0.000000 0.000000 13.014893\nMn Sb Se Br\n4 4 8 4\ndirect\n0.750000 0.992654 0.262844 Mn\n0.750000 0.492654 0.237156 Mn\n0.250000 0.507346 0.762844 Mn\n0.250000 0.007346 0.737156 Mn\n0.250000 0.314679 0.462061 Sb\n0.750000 0.185321 0.962061 Sb\n0.250000 0.814679 0.037939 Sb\n0.750000 0.685321 0.537939 Sb\n0.250000 0.054024 0.119319 Se\n0.750000 0.751666 0.176524 Se\n0.750000 0.251666 0.323476 Se\n0.250000 0.748334 0.676524 Se\n0.750000 0.445976 0.619319 Se\n0.250000 0.248334 0.823476 Se\n0.250000 0.554024 0.380681 Se\n0.750000 0.945976 0.880681 Se\n0.250000 0.930946 0.387286 Br\n0.750000 0.569054 0.887286 Br\n0.250000 0.430946 0.112714 Br\n0.750000 0.069054 0.612714 Br\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-Mn-Sb-Se",
"density": 5.256188778031776,
"density_atomic": 0.03818073016282949,
"volume": 523.8244505724729,
"volume_molar": 15.772722874385472,
"formula_full": "Mn4 Sb4 Se8 Br4",
"formula_reduced": "MnSbSe2Br",
"formula_anonymous": "ABCD2",
"energy": -102.65575858000004,
"energy_per_atom": -5.132787929000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.74375858000002,
"band_gap": 0.6252000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0036049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.175000Z",
"spacegroup": 62
},
{
"id": "mp-1226656",
"created_at": "2022-09-04T14:41:58.528516Z",
"structure_string": "Ce1 Cu2 Si1 Ge1\n1.0\n-2.064214 2.064214 4.992713\n2.064214 -2.064214 4.992713\n2.064214 2.064214 -4.992713\nCe Cu Si Ge\n1 2 1 1\ndirect\n0.001858 0.001858 0.000000 Ce\n0.745686 0.245686 0.500000 Cu\n0.245686 0.745686 0.500000 Cu\n0.624862 0.624862 0.000000 Si\n0.381908 0.381908 0.000000 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Cu",
"Si",
"Ge"
],
"chemical_system": "Ce-Cu-Ge-Si",
"density": 7.17980084019873,
"density_atomic": 0.05875758975927045,
"volume": 85.09538972726715,
"volume_molar": 10.249128299293215,
"formula_full": "Ce1 Cu2 Si1 Ge1",
"formula_reduced": "CeCu2SiGe",
"formula_anonymous": "ABCD2",
"energy": -26.85973212,
"energy_per_atom": -5.371946424,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.85973212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2246532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.406000Z",
"spacegroup": 107
},
{
"id": "mp-23084",
"created_at": "2022-09-04T14:40:32.123135Z",
"structure_string": "Bi2 Pb2 Cl2 O4\n1.0\n2.857823 -6.341799 0.000000\n2.857823 6.341799 0.000000\n0.000000 0.000000 5.654331\nBi Pb Cl O\n2 2 2 4\ndirect\n0.912429 0.087571 0.750000 Bi\n0.087571 0.912429 0.250000 Bi\n0.606771 0.393229 0.750000 Pb\n0.393229 0.606771 0.250000 Pb\n0.253934 0.746066 0.750000 Cl\n0.746066 0.253934 0.250000 Cl\n0.237727 0.237727 0.500000 O\n0.762273 0.762273 0.000000 O\n0.762273 0.762273 0.500000 O\n0.237727 0.237727 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Pb",
"density": 7.836737092505119,
"density_atomic": 0.04879114116728393,
"volume": 204.95523902001557,
"volume_molar": 12.342692988779783,
"formula_full": "Bi2 Pb2 Cl2 O4",
"formula_reduced": "BiPbClO2",
"formula_anonymous": "ABCD2",
"energy": -55.49306991,
"energy_per_atom": -5.549306991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.51706990999999,
"band_gap": 2.0737,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001118,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.092000Z",
"spacegroup": 63
},
{
"id": "mp-6384",
"created_at": "2022-09-04T14:40:29.065224Z",
"structure_string": "Rb2 S2 O4 F2\n1.0\n6.030025 0.000000 0.000000\n0.000000 4.885633 0.000000\n0.000000 2.261246 7.046331\nRb S O F\n2 2 4 2\ndirect\n0.750000 0.843156 0.284770 Rb\n0.250000 0.156844 0.715230 Rb\n0.750000 0.600997 0.816097 S\n0.250000 0.399003 0.183903 S\n0.546997 0.665225 0.698260 O\n0.046997 0.334775 0.301740 O\n0.453003 0.334775 0.301740 O\n0.953003 0.665225 0.698260 O\n0.250000 0.791989 0.123303 F\n0.750000 0.208011 0.876697 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"S",
"O",
"F"
],
"chemical_system": "F-O-Rb-S",
"density": 2.696207601648129,
"density_atomic": 0.0481722583297209,
"volume": 207.5883578376953,
"volume_molar": 12.501263110358504,
"formula_full": "Rb2 S2 O4 F2",
"formula_reduced": "RbSO2F",
"formula_anonymous": "ABCD2",
"energy": -55.72555411,
"energy_per_atom": -5.572555411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.05355411,
"band_gap": 4.1099,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001403,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.671000Z",
"spacegroup": 11
},
{
"id": "mp-1205785",
"created_at": "2022-09-04T14:40:35.481010Z",
"structure_string": "Lu2 Mn4 Si2 C2\n1.0\n3.636529 0.000000 0.000000\n-1.818265 5.278577 0.000000\n0.000000 0.000000 6.957671\nLu Mn Si C\n2 4 2 2\ndirect\n0.457096 0.914191 0.250000 Lu\n0.542904 0.085809 0.750000 Lu\n0.167821 0.335641 0.060550 Mn\n0.832179 0.664359 0.939450 Mn\n0.832179 0.664359 0.560550 Mn\n0.167821 0.335641 0.439450 Mn\n0.736344 0.472688 0.250000 Si\n0.263656 0.527312 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Lu",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Lu-Mn-Si",
"density": 8.080040080658828,
"density_atomic": 0.07487419992975422,
"volume": 133.55735365962963,
"volume_molar": 8.043011832713907,
"formula_full": "Lu2 Mn4 Si2 C2",
"formula_reduced": "LuMn2SiC",
"formula_anonymous": "ABCD2",
"energy": -80.10712173,
"energy_per_atom": -8.010712173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.24912173000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0896845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.661000Z",
"spacegroup": 63
},
{
"id": "mp-1216599",
"created_at": "2022-09-04T14:40:28.515864Z",
"structure_string": "U1 Cu1 Si2 Ni1\n1.0\n-1.976296 1.976296 4.865144\n1.976296 -1.976296 4.865144\n1.976296 1.976296 -4.865144\nU Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.750000 0.500000 Cu\n0.620304 0.620304 0.000000 Si\n0.379696 0.379696 0.000000 Si\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
"nelements": 4,
"elements": [
"U",
"Cu",
"Si",
"Ni"
],
"chemical_system": "Cu-Ni-Si-U",
"density": 9.097899642974372,
"density_atomic": 0.06578249335933159,
"volume": 76.00806452695402,
"volume_molar": 9.154625269529598,
"formula_full": "U1 Cu1 Si2 Ni1",
"formula_reduced": "UCuSi2Ni",
"formula_anonymous": "ABCD2",
"energy": -34.159277,
"energy_per_atom": -6.8318554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.301277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4735608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.100000Z",
"spacegroup": 119
},
{
"id": "mp-1019891",
"created_at": "2022-09-04T14:40:35.154700Z",
"structure_string": "K12 P12 S12 O24\n1.0\n8.190494 0.000000 0.000000\n0.000000 11.344333 0.000000\n0.000000 0.000000 13.869956\nK P S O\n12 12 12 24\ndirect\n0.324397 0.918313 0.173947 K\n0.675603 0.081687 0.673947 K\n0.824397 0.581687 0.673947 K\n0.175603 0.418313 0.173947 K\n0.315039 0.921968 0.830030 K\n0.684961 0.078032 0.330030 K\n0.815039 0.578032 0.330030 K\n0.184961 0.421968 0.830030 K\n0.187863 0.005203 0.502934 K\n0.812137 0.994797 0.002934 K\n0.687863 0.494797 0.002934 K\n0.312137 0.505203 0.502934 K\n0.481748 0.792791 0.394796 P\n0.518252 0.207209 0.894796 P\n0.981748 0.707209 0.894796 P\n0.018252 0.292791 0.394796 P\n0.293939 0.663026 0.002402 P\n0.706061 0.336974 0.502402 P\n0.793939 0.836974 0.502402 P\n0.206061 0.163026 0.002402 P\n0.483805 0.790918 0.611196 P\n0.516195 0.209082 0.111196 P\n0.983805 0.709082 0.111196 P\n0.016195 0.290918 0.611196 P\n0.497690 0.753211 0.000228 S\n0.502310 0.246789 0.500228 S\n0.997690 0.746789 0.500228 S\n0.002310 0.253211 0.000228 S\n0.431602 0.661484 0.699109 S\n0.568398 0.338516 0.199109 S\n0.931602 0.838516 0.199109 S\n0.068398 0.161484 0.699109 S\n0.426769 0.664957 0.305984 S\n0.573231 0.335043 0.805984 S\n0.926769 0.835043 0.805984 S\n0.073231 0.164957 0.305984 S\n0.417593 0.755162 0.502935 O\n0.582407 0.244838 0.002935 O\n0.917593 0.744838 0.002935 O\n0.082407 0.255162 0.502935 O\n0.071755 0.416672 0.371740 O\n0.928245 0.583328 0.871740 O\n0.571755 0.083328 0.871740 O\n0.428245 0.916672 0.371740 O\n0.429351 0.914353 0.635189 O\n0.570649 0.085647 0.135189 O\n0.929351 0.585647 0.135189 O\n0.070649 0.414353 0.635189 O\n0.198726 0.030771 0.003394 O\n0.801274 0.969229 0.503394 O\n0.698726 0.469229 0.503394 O\n0.301274 0.530771 0.003394 O\n0.319449 0.209044 0.911606 O\n0.680551 0.790956 0.411606 O\n0.819449 0.290956 0.411606 O\n0.180551 0.709044 0.911606 O\n0.317354 0.210172 0.093810 O\n0.682646 0.789828 0.593810 O\n0.817354 0.289828 0.593810 O\n0.182646 0.710172 0.093810 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"P",
"S",
"O"
],
"chemical_system": "K-O-P-S",
"density": 2.074011221986787,
"density_atomic": 0.04655722688441182,
"volume": 1288.7365510184425,
"volume_molar": 12.934921521316637,
"formula_full": "K12 P12 S12 O24",
"formula_reduced": "KPSO2",
"formula_anonymous": "ABCD2",
"energy": -372.95850875,
"energy_per_atom": -6.215975145833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -350.43450875,
"band_gap": 4.0731,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0045953,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.885000Z",
"spacegroup": 33
},
{
"id": "mp-1225155",
"created_at": "2022-09-04T14:40:22.719166Z",
"structure_string": "Eu1 Si1 Ni2 Ge1\n1.0\n-2.038936 2.038936 4.971984\n2.038936 -2.038936 4.971984\n2.038936 2.038936 -4.971984\nEu Si Ni Ge\n1 1 2 1\ndirect\n0.998990 0.998990 0.000000 Eu\n0.363577 0.363577 0.000000 Si\n0.754544 0.254544 0.500000 Ni\n0.254544 0.754544 0.500000 Ni\n0.628344 0.628344 0.000000 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Eu",
"Si",
"Ni",
"Ge"
],
"chemical_system": "Eu-Ge-Ni-Si",
"density": 7.43264634886291,
"density_atomic": 0.060474613677802075,
"volume": 82.67932105592449,
"volume_molar": 9.958130186800183,
"formula_full": "Eu1 Si1 Ni2 Ge1",
"formula_reduced": "EuSiNi2Ge",
"formula_anonymous": "ABCD2",
"energy": -35.0106393,
"energy_per_atom": -7.00212786,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.0106393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0122518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.181000Z",
"spacegroup": 107
}
]
}