HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1249",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1247",
"results": [
{
"id": "jvasp-24319",
"created_at": "2022-09-04T14:38:29.022330Z",
"updated_at": "2022-09-04T14:38:29.022356Z",
"structure_string": "Ba2 Sr8 U6 O28\n1.0\n8.096613 -0.002404 -0.000000\n-0.011234 8.096605 -0.000000\n-0.000000 -0.000000 11.043347\nBa Sr U O\n2 8 6 28\ndirect\n0.500000 0.500001 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.729145 0.770856 0.250000 Sr\n0.250907 0.749094 0.275540 Sr\n0.249094 0.750907 0.775540 Sr\n0.750906 0.249094 0.224460 Sr\n0.749093 0.250907 0.724460 Sr\n0.770855 0.729146 0.750000 Sr\n0.229145 0.270855 0.250000 Sr\n0.270855 0.229145 0.750000 Sr\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.500001 0.500000 U\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.936445 0.063555 0.833867 O\n0.686106 0.032944 0.375038 O\n0.532943 0.186107 0.875038 O\n0.993277 0.753308 0.926996 O\n0.532892 0.807213 0.881892 O\n0.753307 0.993278 0.073004 O\n0.246693 0.006723 0.926996 O\n0.506723 0.746694 0.426996 O\n0.006723 0.246693 0.073004 O\n0.436445 0.563555 0.666133 O\n0.563555 0.436446 0.333867 O\n0.493277 0.253307 0.573004 O\n0.467057 0.813894 0.124962 O\n0.032944 0.686107 0.624962 O\n0.692788 0.967110 0.618108 O\n0.746693 0.506724 0.573004 O\n0.186106 0.532944 0.124962 O\n0.313894 0.967057 0.624962 O\n0.032892 0.307213 0.618108 O\n0.192788 0.467109 0.881892 O\n0.307212 0.032892 0.381892 O\n0.063555 0.936446 0.166133 O\n0.253307 0.493278 0.426996 O\n0.467109 0.192788 0.118108 O\n0.807212 0.532892 0.118108 O\n0.967109 0.692789 0.381892 O\n0.967056 0.313894 0.375038 O\n0.813894 0.467057 0.875038 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"U",
"O"
],
"chemical_system": "Ba-O-Sr-U",
"density": 6.541190848391161,
"density_atomic": 0.06077791577351211,
"volume": 723.9471679806406,
"volume_molar": 9.908435791779052,
"formula_full": "Ba2 Sr8 U6 O28",
"formula_reduced": "BaSr4U3O14",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 2.682874009545454,
"spacegroup": 64
},
{
"id": "jvasp-26783",
"created_at": "2022-09-04T14:38:29.845681Z",
"updated_at": "2022-09-04T14:38:29.845707Z",
"structure_string": "Th4 P4 O18\n1.0\n5.893823 0.002406 -0.000000\n-1.461280 5.709800 -0.000000\n0.000000 0.000000 12.983574\nTh P O\n4 4 18\ndirect\n0.291986 0.708014 0.572148 Th\n0.708014 0.291986 0.427852 Th\n0.208014 0.791986 0.072148 Th\n0.791986 0.208015 0.927852 Th\n0.389342 0.610658 0.858639 P\n0.110658 0.889342 0.358640 P\n0.610658 0.389343 0.141360 P\n0.889342 0.110658 0.641360 P\n0.149645 0.515451 0.915397 O\n0.853756 0.146245 0.756038 O\n0.500000 0.500000 0.500000 O\n0.551739 0.448261 0.876054 O\n0.515451 0.149646 0.084602 O\n0.353756 0.646244 0.743961 O\n0.350354 0.984549 0.415398 O\n0.948261 0.051740 0.376054 O\n0.649645 0.015452 0.584602 O\n0.850354 0.484549 0.084602 O\n0.448261 0.551739 0.123945 O\n0.015451 0.649646 0.415398 O\n0.484549 0.850355 0.915397 O\n0.146244 0.853756 0.243962 O\n0.984548 0.350355 0.584602 O\n0.051739 0.948261 0.623945 O\n0.646244 0.353756 0.256038 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Th",
"P",
"O"
],
"chemical_system": "O-P-Th",
"density": 5.092231135687772,
"density_atomic": 0.05949983132073218,
"volume": 436.97602871927023,
"volume_molar": 10.121273668050954,
"formula_full": "Th4 P4 O18",
"formula_reduced": "Th2P2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.0058033615384616,
"spacegroup": 64
},
{
"id": "jvasp-25204",
"created_at": "2022-09-04T14:38:30.096638Z",
"updated_at": "2022-09-04T14:38:30.096658Z",
"structure_string": "F4\n1.0\n3.051819 0.121860 0.009089\n-1.343337 2.742971 -0.009089\n-0.005312 0.003167 6.472947\nF\n4\ndirect\n0.900678 0.401117 0.598548 F\n0.401117 0.900678 0.901453 F\n0.099322 0.598883 0.401453 F\n0.598883 0.099322 0.098548 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.284188058737723,
"density_atomic": 0.07240451669529466,
"volume": 55.24517229820757,
"volume_molar": 8.317355097256467,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy_above_hull": 0.0019202824999999,
"spacegroup": 64
},
{
"id": "jvasp-54605",
"created_at": "2022-09-04T14:38:30.275625Z",
"updated_at": "2022-09-04T14:38:30.275642Z",
"structure_string": "Ba4 Zn2 Ag4 Se4 O4\n1.0\n0.000000 6.108202 0.019273\n6.108661 0.000000 0.000000\n0.000000 -3.022982 -10.060621\nBa Zn Ag Se O\n4 2 4 4 4\ndirect\n0.911723 0.500002 0.823446 Ba\n0.411723 -0.000002 0.823445 Ba\n0.588277 0.000002 0.176555 Ba\n0.088278 0.499998 0.176555 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.497019 0.250008 0.500006 Ag\n0.002982 0.750007 0.499994 Ag\n0.502981 0.749992 0.499994 Ag\n0.997019 0.249992 0.500006 Ag\n0.662530 0.499996 0.325046 Se\n0.162530 0.000004 0.325046 Se\n0.837470 -0.000004 0.674954 Se\n0.337470 0.500004 0.674954 Se\n0.717055 0.283032 0.000001 O\n0.217056 0.216968 0.000001 O\n0.782944 0.783032 -0.000000 O\n0.282944 0.716968 -0.000001 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Zn",
"Ag",
"Se",
"O"
],
"chemical_system": "Ag-Ba-O-Se-Zn",
"density": 6.6036123999956535,
"density_atomic": 0.047995469427859434,
"volume": 375.0353984359975,
"volume_molar": 12.547310885357003,
"formula_full": "Ba4 Zn2 Ag4 Se4 O4",
"formula_reduced": "Ba2ZnAg2(SeO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 0.486910065925926,
"spacegroup": 64
},
{
"id": "jvasp-29480",
"created_at": "2022-09-04T14:38:30.355137Z",
"updated_at": "2022-09-04T14:38:30.355150Z",
"structure_string": "Nb4 P8 S32\n1.0\n9.430791 -0.000000 -0.000000\n-0.000000 10.116862 -5.801337\n0.000000 0.018080 11.753517\nNb P S\n4 8 32\ndirect\n0.500000 0.570703 0.141406 Nb\n0.500000 0.429297 0.858594 Nb\n0.000000 0.070703 0.141406 Nb\n0.000000 0.929297 0.858594 Nb\n0.516828 0.124967 0.622485 P\n0.983172 0.624967 0.622485 P\n0.016828 0.997516 0.622485 P\n0.483172 0.497517 0.622485 P\n0.516828 0.502483 0.377515 P\n0.016828 0.375032 0.377515 P\n0.483172 0.875032 0.377515 P\n0.983172 0.002483 0.377515 P\n0.880319 0.077171 0.774260 S\n0.829077 0.091502 0.332913 S\n0.778502 0.013741 -0.000000 S\n0.370951 0.643774 -0.000000 S\n0.577850 0.364139 0.435225 S\n0.619681 0.802912 0.225740 S\n0.170923 0.241410 0.332913 S\n0.880319 0.302912 0.225740 S\n0.922150 0.864139 0.435225 S\n0.870951 0.856226 -0.000000 S\n0.670923 0.258590 0.667087 S\n0.129049 0.143774 -0.000000 S\n0.329077 0.408498 0.667087 S\n0.221498 0.986259 -0.000000 S\n0.380319 0.197088 0.774260 S\n0.119681 0.922829 0.225740 S\n0.278502 0.486259 -0.000000 S\n0.077850 0.135861 0.564775 S\n0.577850 0.928914 0.564775 S\n0.629049 0.356226 -0.000000 S\n0.077850 0.571086 0.435225 S\n0.422150 0.071086 0.435225 S\n0.721498 0.513741 -0.000000 S\n0.170923 0.908498 0.667087 S\n0.829077 0.758590 0.667087 S\n0.329077 0.741410 0.332912 S\n0.670923 0.591502 0.332912 S\n0.380319 0.422829 0.225740 S\n0.619681 0.577171 0.774260 S\n0.422150 0.635861 0.564775 S\n0.119681 0.697088 0.774260 S\n0.922150 0.428914 0.564775 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Nb",
"P",
"S"
],
"chemical_system": "Nb-P-S",
"density": 2.434451478317852,
"density_atomic": 0.039201977257593,
"volume": 1122.3923658462322,
"volume_molar": 15.361829125171424,
"formula_full": "Nb4 P8 S32",
"formula_reduced": "Nb(PS4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 2.886027309090909,
"spacegroup": 64
},
{
"id": "jvasp-49291",
"created_at": "2022-09-04T14:38:32.568388Z",
"updated_at": "2022-09-04T14:38:32.568412Z",
"structure_string": "Si16 Os8\n1.0\n6.582039 -0.019600 -0.000000\n-1.466181 6.416693 0.000000\n-0.000000 0.000000 8.326468\nSi Os\n16 8\ndirect\n0.924000 0.177888 0.725570 Si\n0.850688 0.595411 0.057271 Si\n0.649312 0.904588 0.557272 Si\n0.095411 0.350687 0.442729 Si\n0.404589 0.149312 0.942729 Si\n0.350688 0.095411 0.442729 Si\n0.904589 0.649312 0.557272 Si\n0.595411 0.850687 0.057271 Si\n0.149312 0.404589 0.942729 Si\n0.322112 0.576000 0.225570 Si\n0.424000 0.677888 0.774430 Si\n0.076000 0.822111 0.274430 Si\n0.822112 0.076000 0.274430 Si\n0.677889 0.424000 0.774430 Si\n0.576000 0.322111 0.225570 Si\n0.177888 0.924000 0.725570 Si\n0.283474 0.716526 0.500000 Os\n0.809835 0.809835 0.816990 Os\n0.690165 0.690165 0.316990 Os\n0.309835 0.309835 0.683010 Os\n0.190165 0.190165 0.183010 Os\n0.716526 0.283474 0.500000 Os\n0.783474 0.216526 0.000000 Os\n0.216526 0.783473 0.000000 Os\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"Os"
],
"chemical_system": "Os-Si",
"density": 9.31417986412515,
"density_atomic": 0.06829270444328953,
"volume": 351.42846070665826,
"volume_molar": 8.818131906023437,
"formula_full": "Si16 Os8",
"formula_reduced": "Si2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 3.507610733333334,
"spacegroup": 64
},
{
"id": "jvasp-55455",
"created_at": "2022-09-04T14:38:33.943318Z",
"updated_at": "2022-09-04T14:38:33.943346Z",
"structure_string": "V4 Zn6 O16\n1.0\n6.131918 -0.000000 -0.000000\n-3.065958 5.834006 0.000000\n-0.000000 -0.000000 8.317473\nV Zn O\n4 6 16\ndirect\n0.378177 0.756355 0.879390 V\n0.621824 0.243646 0.120610 V\n0.121823 0.243646 0.379390 V\n0.878177 0.756355 0.620610 V\n0.000000 0.000000 0.000000 Zn\n0.887397 0.274793 0.750000 Zn\n0.612604 0.725208 0.250000 Zn\n0.112603 0.725208 0.250000 Zn\n0.387397 0.274793 0.750000 Zn\n0.500000 0.000000 0.500000 Zn\n-0.000057 -0.000113 0.245295 O\n0.000057 0.000113 0.754705 O\n0.750586 0.501171 0.729211 O\n0.889504 0.236742 0.498762 O\n0.250586 0.501171 0.770789 O\n0.499943 -0.000113 0.254705 O\n0.500057 0.000113 0.745295 O\n0.152761 0.763258 0.998762 O\n0.389504 0.236742 0.001238 O\n0.347239 0.236742 0.498762 O\n0.110497 0.763258 0.501238 O\n0.847239 0.236742 0.001238 O\n0.610497 0.763258 0.998762 O\n0.652762 0.763258 0.501238 O\n0.749415 0.498829 0.229211 O\n0.249415 0.498829 0.270789 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.755994213637185,
"density_atomic": 0.08738134761935873,
"volume": 297.54633807272484,
"volume_molar": 6.891792040371138,
"formula_full": "V4 Zn6 O16",
"formula_reduced": "V2Zn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.038277507692308,
"spacegroup": 64
},
{
"id": "jvasp-56745",
"created_at": "2022-09-04T14:38:33.971503Z",
"updated_at": "2022-09-04T14:38:33.971523Z",
"structure_string": "Na8 P4 Se12\n1.0\n7.984350 0.000000 0.000000\n0.000000 8.816386 -1.056415\n0.000000 -0.018465 8.879434\nNa P Se\n8 4 12\ndirect\n0.250000 0.278081 0.221919 Na\n0.750000 0.221919 0.278081 Na\n0.152724 0.815200 0.184801 Na\n0.847276 0.184801 0.815199 Na\n0.250000 0.778082 0.721919 Na\n0.347276 0.315200 0.684801 Na\n0.652724 0.684801 0.315200 Na\n0.750000 0.721920 0.778081 Na\n0.552533 0.920402 0.079599 P\n0.947467 0.420402 0.579599 P\n0.447467 0.079599 0.920401 P\n0.052533 0.579599 0.420401 P\n0.462361 0.000292 0.311319 Se\n0.537639 -0.000292 0.688680 Se\n0.537639 0.311320 0.000292 Se\n0.172369 0.055494 0.944506 Se\n0.962361 0.811320 0.500292 Se\n0.962361 0.499708 0.188681 Se\n0.462361 0.688681 -0.000292 Se\n0.672369 0.444507 0.555494 Se\n0.327632 0.555494 0.444507 Se\n0.037639 0.188681 0.499708 Se\n0.037639 0.500293 0.811320 Se\n0.827632 0.944507 0.055494 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"P",
"Se"
],
"chemical_system": "Na-P-Se",
"density": 3.335806853941689,
"density_atomic": 0.038406437545740045,
"volume": 624.895239799767,
"volume_molar": 15.680029559700632,
"formula_full": "Na8 P4 Se12",
"formula_reduced": "Na2PSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9391456,
"spacegroup": 64
},
{
"id": "jvasp-29653",
"created_at": "2022-09-04T14:38:34.203815Z",
"updated_at": "2022-09-04T14:38:34.203841Z",
"structure_string": "Cu4 P16 Se16 I4\n1.0\n9.513112 -0.127664 -0.000000\n-2.050875 9.290291 0.000000\n-0.000000 0.000000 12.503787\nCu P Se I\n4 16 16 4\ndirect\n0.904991 0.095009 0.500000 Cu\n0.595009 0.404991 0.000000 Cu\n0.404991 0.595009 0.000000 Cu\n0.095008 0.904991 0.500000 Cu\n0.755783 0.540382 0.259888 P\n0.255784 0.040382 0.240113 P\n0.540382 0.755784 0.259888 P\n0.244216 0.459617 0.740113 P\n0.716152 0.353295 0.145840 P\n0.459617 0.244217 0.740113 P\n0.959617 0.744217 0.759888 P\n0.146705 0.783848 0.645840 P\n0.646706 0.283848 0.854160 P\n0.744216 0.959618 0.759888 P\n0.783848 0.146706 0.645840 P\n0.040382 0.255784 0.240113 P\n0.216152 0.853294 0.354160 P\n0.853294 0.216153 0.354160 P\n0.353294 0.716152 0.145840 P\n0.283847 0.646706 0.854160 P\n0.850752 0.446571 0.407281 Se\n0.553429 0.149248 0.592719 Se\n0.350752 0.946571 0.092719 Se\n0.016576 0.016576 0.190972 Se\n0.149248 0.553429 0.592719 Se\n0.946570 0.350752 0.092719 Se\n0.446570 0.850752 0.407281 Se\n0.983423 0.983424 0.809028 Se\n0.516576 0.516576 0.309028 Se\n0.349444 0.849445 0.750000 Se\n0.053429 0.649248 0.907281 Se\n0.649248 0.053430 0.907281 Se\n0.483423 0.483424 0.690972 Se\n0.650555 0.150556 0.250000 Se\n0.849444 0.349445 0.750000 Se\n0.150555 0.650555 0.250000 Se\n0.310623 0.310623 0.015165 I\n0.810623 0.810623 0.484835 I\n0.189377 0.189377 0.515166 I\n0.689377 0.689377 0.984835 I\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Cu",
"P",
"Se",
"I"
],
"chemical_system": "Cu-I-P-Se",
"density": 3.7990281545980915,
"density_atomic": 0.036304043258098155,
"volume": 1101.8056505614538,
"volume_molar": 16.58807179461112,
"formula_full": "Cu4 P16 Se16 I4",
"formula_reduced": "CuP4Se4I",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.9925072191666668,
"spacegroup": 64
},
{
"id": "jvasp-40964",
"created_at": "2022-09-04T14:38:36.214125Z",
"updated_at": "2022-09-04T14:38:36.214151Z",
"structure_string": "K12 Tl12\n1.0\n7.755454 7.609455 -0.000000\n-7.755454 7.609455 -0.000000\n0.000000 0.000000 8.029953\nK Tl\n12 12\ndirect\n0.968334 0.468336 0.249999 K\n0.202142 0.202142 0.927687 K\n0.797857 0.797857 0.072313 K\n0.702141 0.702141 0.572311 K\n0.822366 0.177634 0.000000 K\n0.677632 0.322366 0.499999 K\n0.297858 0.297858 0.427688 K\n0.322366 0.677632 0.499999 K\n0.468336 0.968334 0.249999 K\n0.031664 0.531664 0.750000 K\n0.531664 0.031664 0.750000 K\n0.177634 0.822366 0.000000 K\n0.724423 0.490288 0.924282 Tl\n0.775577 0.009713 0.424281 Tl\n0.490288 0.724423 0.924282 Tl\n0.009713 0.775577 0.424281 Tl\n0.275577 0.509713 0.075719 Tl\n0.544410 0.544410 0.218996 Tl\n0.955589 0.955589 0.718994 Tl\n0.455589 0.455589 0.781005 Tl\n0.044410 0.044410 0.281005 Tl\n0.990286 0.224425 0.575717 Tl\n0.224425 0.990286 0.575717 Tl\n0.509713 0.275577 0.075719 Tl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"K",
"Tl"
],
"chemical_system": "K-Tl",
"density": 5.119089376526703,
"density_atomic": 0.025322551518568878,
"volume": 947.7717907850218,
"volume_molar": 23.7817297186028,
"formula_full": "K12 Tl12",
"formula_reduced": "KTl",
"formula_anonymous": "AB",
"energy_above_hull": 0.2012975,
"spacegroup": 64
},
{
"id": "jvasp-59047",
"created_at": "2022-09-04T14:38:36.299997Z",
"updated_at": "2022-09-04T14:38:36.300014Z",
"structure_string": "K8 Sn4 Te12\n1.0\n8.091680 0.000000 -3.015519\n-0.000000 8.679865 0.000000\n-0.002391 0.000000 12.357730\nK Sn Te\n8 4 12\ndirect\n0.077757 0.000000 0.155515 K\n0.422243 0.500000 0.844485 K\n0.922243 0.000000 0.844485 K\n0.577757 0.500000 0.155515 K\n0.234601 0.000000 0.469201 K\n0.734601 0.500000 0.469201 K\n0.265400 0.500000 0.530799 K\n0.765400 0.000000 0.530799 K\n0.585332 0.000000 0.170666 Sn\n0.914668 0.500000 0.829334 Sn\n0.414668 0.000000 0.829334 Sn\n0.085332 0.500000 0.170666 Sn\n0.671527 0.828220 -0.000000 Te\n0.341765 0.309915 0.302903 Te\n0.538863 0.190085 0.697097 Te\n0.158235 0.809915 0.697097 Te\n0.961137 0.690085 0.302903 Te\n0.658235 0.690085 0.697097 Te\n0.461137 0.809915 0.302903 Te\n0.841765 0.190085 0.302903 Te\n0.038863 0.309915 0.697097 Te\n0.828473 0.328220 -0.000000 Te\n0.328473 0.171781 -0.000000 Te\n0.171527 0.671781 -0.000000 Te\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Sn",
"Te"
],
"chemical_system": "K-Sn-Te",
"density": 4.436681750407352,
"density_atomic": 0.02765363239008445,
"volume": 867.8787531943,
"volume_molar": 21.777033393122395,
"formula_full": "K8 Sn4 Te12",
"formula_reduced": "K2SnTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1159835000000001,
"spacegroup": 64
},
{
"id": "jvasp-26919",
"created_at": "2022-09-04T14:38:36.328192Z",
"updated_at": "2022-09-04T14:38:36.328212Z",
"structure_string": "K8 Na4 In4 Sb8\n1.0\n7.022898 -0.000000 -0.000000\n0.000000 10.708398 -1.663289\n-0.000000 0.012551 10.836798\nK Na In Sb\n8 4 4 8\ndirect\n0.750000 0.422939 0.077061 K\n0.250000 0.077061 0.422939 K\n0.250000 0.577061 0.922939 K\n0.750000 0.922939 0.577061 K\n0.778034 0.326856 0.673144 K\n0.278034 0.173144 0.826856 K\n0.221966 0.673144 0.326856 K\n0.721966 0.826856 0.173144 K\n0.000000 0.618830 0.618830 Na\n0.500000 0.881170 0.881170 Na\n0.000000 0.381170 0.381170 Na\n0.500000 0.118830 0.118830 Na\n0.000000 0.132396 0.132396 In\n0.500000 0.367604 0.367604 In\n0.000000 0.867604 0.867604 In\n0.500000 0.632396 0.632396 In\n0.208833 0.892928 0.107072 Sb\n0.750000 0.642186 0.857814 Sb\n0.250000 0.857814 0.642186 Sb\n0.250000 0.357813 0.142187 Sb\n0.750000 0.142187 0.357813 Sb\n0.791167 0.107072 0.892928 Sb\n0.291167 0.392928 0.607072 Sb\n0.708833 0.607072 0.392928 Sb\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Na",
"In",
"Sb"
],
"chemical_system": "In-K-Na-Sb",
"density": 3.744533088632897,
"density_atomic": 0.029443625002978688,
"volume": 815.1170244007666,
"volume_molar": 20.453122736724048,
"formula_full": "K8 Na4 In4 Sb8",
"formula_reduced": "K2NaInSb2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
}
]
}