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=635",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=633",
"results": [
{
"id": "jvasp-23042",
"created_at": "2022-09-04T14:38:29.495159Z",
"updated_at": "2022-09-04T14:38:29.495178Z",
"structure_string": "Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Se"
],
"chemical_system": "Ge-Se-Sr",
"density": 4.892640024798266,
"density_atomic": 0.037071171272681475,
"volume": 971.1050059680515,
"volume_molar": 16.244808440778463,
"formula_full": "Sr8 Ge8 Se20",
"formula_reduced": "Sr2Ge2Se5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.8515323725925925,
"spacegroup": 14
},
{
"id": "jvasp-21190",
"created_at": "2022-09-04T14:38:29.348818Z",
"updated_at": "2022-09-04T14:38:29.348844Z",
"structure_string": "Mo2 Ir2 O12\n1.0\n0.000000 5.177998 0.003223\n5.274585 0.000000 0.000000\n0.000000 -5.181357 -7.439101\nMo Ir O\n2 2 12\ndirect\n0.000000 0.500000 0.000000 Mo\n-0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.673923 0.486613 0.750086 O\n0.838554 0.202695 0.038592 O\n0.262102 0.202214 0.461889 O\n0.737898 0.702214 0.038111 O\n0.161447 0.702696 0.461408 O\n0.326077 0.986614 0.749915 O\n0.673923 0.013387 0.250086 O\n0.838553 0.297305 0.538592 O\n0.262102 0.297787 0.961889 O\n0.161446 0.797305 0.961408 O\n0.737898 0.797787 0.538111 O\n0.326077 0.513388 0.249915 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mo",
"Ir",
"O"
],
"chemical_system": "Ir-Mo-O",
"density": 6.282051134144582,
"density_atomic": 0.07878393621800048,
"volume": 203.08708561764314,
"volume_molar": 7.643868850797616,
"formula_full": "Mo2 Ir2 O12",
"formula_reduced": "MoIrO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.4874335,
"spacegroup": 14
},
{
"id": "jvasp-22945",
"created_at": "2022-09-04T14:38:29.707472Z",
"updated_at": "2022-09-04T14:38:29.707491Z",
"structure_string": "Ho4 Pt4 F28\n1.0\n0.000000 8.762197 0.014637\n5.412551 0.000000 0.000000\n0.000000 -5.483954 -10.594268\nHo Pt F\n4 4 28\ndirect\n0.813459 0.762626 0.236519 Ho\n0.186541 0.262626 0.263481 Ho\n0.186541 0.237373 0.763481 Ho\n0.813460 0.737373 0.736519 Ho\n0.271030 0.758992 0.041895 Pt\n0.728970 0.258992 0.458105 Pt\n0.728971 0.241008 0.958105 Pt\n0.271030 0.741008 0.541895 Pt\n0.019404 0.751484 0.450057 F\n0.716907 0.954959 0.365085 F\n0.283093 0.454959 0.134915 F\n0.283094 0.045041 0.634915 F\n0.716907 0.545041 0.865085 F\n0.745400 0.440216 0.321788 F\n0.254600 0.559784 0.678212 F\n0.254600 0.940215 0.178211 F\n0.980596 0.251484 0.049942 F\n0.965145 0.401108 0.769222 F\n0.034856 0.901107 0.730778 F\n0.745401 0.059784 0.821788 F\n0.980596 0.248516 0.549942 F\n0.477954 0.286560 0.362551 F\n0.522046 0.713440 0.637449 F\n0.477954 0.213440 0.862551 F\n0.034856 0.598892 0.230777 F\n0.522046 0.786560 0.137449 F\n0.266933 0.072592 0.957527 F\n0.733068 0.572592 0.542473 F\n0.733068 0.927407 0.042473 F\n0.266932 0.427408 0.457527 F\n0.704237 0.070609 0.589212 F\n0.295764 0.570609 0.910788 F\n0.295764 0.929391 0.410788 F\n0.704236 0.429391 0.089212 F\n0.019405 0.748516 0.950058 F\n0.965145 0.098892 0.269222 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ho",
"Pt",
"F"
],
"chemical_system": "F-Ho-Pt",
"density": 6.523016850739369,
"density_atomic": 0.07171206440918951,
"volume": 502.0075812430076,
"volume_molar": 8.397667546757022,
"formula_full": "Ho4 Pt4 F28",
"formula_reduced": "HoPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0917854382407407,
"spacegroup": 14
},
{
"id": "jvasp-59228",
"created_at": "2022-09-04T14:38:30.008052Z",
"updated_at": "2022-09-04T14:38:30.008067Z",
"structure_string": "V4 Te4 O16\n1.0\n0.000000 5.057316 0.020561\n4.947520 0.000000 0.000000\n0.000000 -3.600228 -12.241323\nV Te O\n4 4 16\ndirect\n0.389727 0.726845 0.932686 V\n0.610273 0.226845 0.567314 V\n0.610273 0.273155 0.067314 V\n0.389728 0.773155 0.432686 V\n0.175150 0.709428 0.666134 Te\n0.824850 0.209428 0.833866 Te\n0.824851 0.290572 0.333866 Te\n0.175150 0.790572 0.166134 Te\n0.743481 0.555147 0.017613 O\n0.256519 0.055147 0.482387 O\n0.366735 0.553031 0.567637 O\n0.633265 0.053031 0.932362 O\n0.633266 0.446969 0.432362 O\n0.366735 0.946969 0.067638 O\n0.439135 0.920077 0.298974 O\n0.060267 0.608285 0.336998 O\n0.560865 0.079923 0.701026 O\n0.439135 0.579923 0.798974 O\n0.743481 0.944853 0.517613 O\n0.939734 0.108286 0.163002 O\n0.939733 0.391714 0.663002 O\n0.060267 0.891714 0.836998 O\n0.560866 0.420077 0.201026 O\n0.256519 0.444853 0.982387 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Te",
"O"
],
"chemical_system": "O-Te-V",
"density": 5.265922275179163,
"density_atomic": 0.07845034103773142,
"volume": 305.92601233507673,
"volume_molar": 7.676372951780534,
"formula_full": "V4 Te4 O16",
"formula_reduced": "VTeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4512909944444448,
"spacegroup": 14
},
{
"id": "jvasp-25188",
"created_at": "2022-09-04T14:38:30.028413Z",
"updated_at": "2022-09-04T14:38:30.028441Z",
"structure_string": "Se32\n1.0\n9.076645 0.000000 -0.133577\n0.000000 9.021531 0.000000\n-0.013633 0.000000 11.704397\nSe\n32\ndirect\n0.323834 0.478126 0.230963 Se\n0.369018 0.102007 0.370604 Se\n0.130983 0.602007 0.129396 Se\n0.417404 0.981959 0.725042 Se\n0.082596 0.481959 0.774958 Se\n0.582597 0.018041 0.274958 Se\n0.917404 0.518041 0.225042 Se\n0.338977 0.768535 0.829668 Se\n0.161023 0.268535 0.670332 Se\n0.661023 0.231465 0.170332 Se\n0.838978 0.731465 0.329668 Se\n0.411321 0.811278 0.021884 Se\n0.088680 0.311278 0.478116 Se\n0.588680 0.188722 0.978116 Se\n0.911321 0.688722 0.521884 Se\n0.634772 0.680256 0.057340 Se\n0.865229 0.180256 0.442659 Se\n0.365229 0.319744 0.942660 Se\n0.134772 0.819744 0.557341 Se\n0.822960 0.865845 0.040307 Se\n0.677041 0.365845 0.459692 Se\n0.177041 0.134155 0.959693 Se\n0.322960 0.634155 0.540308 Se\n0.933277 0.846122 0.857904 Se\n0.566724 0.346122 0.642096 Se\n0.066724 0.153878 0.142096 Se\n0.433277 0.653878 0.357904 Se\n0.823835 0.021874 0.730963 Se\n0.676167 0.521874 0.769037 Se\n0.176166 0.978126 0.269037 Se\n0.869018 0.397993 0.870604 Se\n0.630983 0.897993 0.629396 Se\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.377831280943901,
"density_atomic": 0.03338895162928836,
"volume": 958.4008613175507,
"volume_molar": 18.03632778549853,
"formula_full": "Se32",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.0541533666666667,
"spacegroup": 14
},
{
"id": "jvasp-25908",
"created_at": "2022-09-04T14:38:30.257124Z",
"updated_at": "2022-09-04T14:38:30.257155Z",
"structure_string": "Na6 Sb6 As4 O28\n1.0\n0.000000 6.528426 0.017275\n7.349502 0.000000 0.000000\n0.000000 -3.762415 -12.083091\nNa Sb As O\n6 6 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.538157 0.713288 0.433280 Na\n0.461844 0.286712 0.566719 Na\n0.538157 0.786712 0.933280 Na\n0.000000 0.500000 0.500000 Na\n0.461844 0.213288 0.066719 Na\n0.022871 0.240793 0.252497 Sb\n0.022871 0.259206 0.752497 Sb\n0.977130 0.759206 0.747503 Sb\n0.977130 0.740793 0.247503 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.582486 0.235649 0.338006 As\n0.582487 0.264351 0.838006 As\n0.417515 0.764351 0.661993 As\n0.417514 0.735649 0.161993 As\n0.074724 0.005753 0.803215 O\n0.038589 0.705526 0.907319 O\n0.925278 0.505753 0.696784 O\n0.961412 0.294473 0.092680 O\n0.294986 0.719813 0.763344 O\n0.105026 0.310345 0.916125 O\n0.705015 0.219813 0.736655 O\n0.608229 0.404138 0.429631 O\n0.894975 0.689655 0.083875 O\n0.074723 0.494247 0.303215 O\n0.961413 0.205526 0.592680 O\n0.682260 0.470468 0.904301 O\n0.391772 0.904138 0.070369 O\n0.038589 0.794473 0.407319 O\n0.671673 0.686809 0.248402 O\n0.328328 0.313190 0.751597 O\n0.894975 0.810344 0.583875 O\n0.391772 0.595862 0.570369 O\n0.682259 0.029532 0.404301 O\n0.317742 0.970468 0.595698 O\n0.105026 0.189655 0.416125 O\n0.671674 0.813190 0.748402 O\n0.608229 0.095862 0.929631 O\n0.705015 0.280186 0.236655 O\n0.317742 0.529532 0.095698 O\n0.925277 0.994246 0.196784 O\n0.294986 0.780186 0.263344 O\n0.328327 0.186810 0.251597 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Na",
"Sb",
"As",
"O"
],
"chemical_system": "As-Na-O-Sb",
"density": 4.632860216683636,
"density_atomic": 0.07595672206334864,
"volume": 579.2772358357379,
"volume_molar": 7.928384211969386,
"formula_full": "Na6 Sb6 As4 O28",
"formula_reduced": "Na3Sb3(AsO7)2",
"formula_anonymous": "A2B3C3D14",
"energy_above_hull": 2.3011667181818183,
"spacegroup": 14
},
{
"id": "jvasp-25189",
"created_at": "2022-09-04T14:38:30.311813Z",
"updated_at": "2022-09-04T14:38:30.311844Z",
"structure_string": "Se32\n1.0\n8.115828 0.000000 0.000000\n0.000000 9.225852 -0.374265\n0.000000 0.196291 13.008826\nSe\n32\ndirect\n0.691912 0.558107 0.413960 Se\n0.022795 0.336392 0.213480 Se\n0.522795 0.663607 0.286520 Se\n0.256997 0.633253 0.837896 Se\n0.756997 0.366747 0.662104 Se\n0.743003 0.366747 0.162104 Se\n0.243003 0.633253 0.337896 Se\n0.345974 0.860926 0.905361 Se\n0.845974 0.139074 0.594640 Se\n0.654026 0.139074 0.094640 Se\n0.154026 0.860926 0.405361 Se\n0.334965 0.842894 0.089013 Se\n0.834965 0.157105 0.410987 Se\n0.665035 0.157105 0.910988 Se\n0.165035 0.842894 0.589013 Se\n0.084506 0.954786 0.144296 Se\n0.584506 0.045214 0.355704 Se\n0.915494 0.045214 0.855704 Se\n0.415494 0.954786 0.644296 Se\n0.898201 0.760367 0.169389 Se\n0.398201 0.239633 0.330612 Se\n0.101799 0.239633 0.830612 Se\n0.601799 0.760367 0.669389 Se\n0.722810 0.754827 0.021796 Se\n0.222809 0.245173 0.478204 Se\n0.277191 0.245173 0.978205 Se\n0.777191 0.754827 0.521796 Se\n0.808088 0.558107 0.913960 Se\n0.308088 0.441892 0.586040 Se\n0.191912 0.441892 0.086040 Se\n0.477205 0.336392 0.713480 Se\n0.977205 0.663607 0.786521 Se\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.3048996752078335,
"density_atomic": 0.03283271505919311,
"volume": 974.6376424340225,
"volume_molar": 18.341890852288227,
"formula_full": "Se32",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.0557833666666667,
"spacegroup": 14
},
{
"id": "jvasp-24949",
"created_at": "2022-09-04T14:38:30.345690Z",
"updated_at": "2022-09-04T14:38:30.345717Z",
"structure_string": "Li2 Mn2 F8\n1.0\n0.000000 5.422858 0.016871\n4.649257 0.000000 0.000000\n0.000000 -2.289176 -5.273113\nLi Mn F\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.849701 0.216636 0.639595 F\n0.328398 0.186123 0.141621 F\n0.150298 0.783364 0.360405 F\n0.150298 0.716637 0.860405 F\n0.849702 0.283364 0.139595 F\n0.671601 0.813878 0.858379 F\n0.328398 0.313878 0.641620 F\n0.671602 0.686123 0.358379 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.448778706782374,
"density_atomic": 0.09038353721869669,
"volume": 132.7675411835695,
"volume_molar": 6.662873511387938,
"formula_full": "Li2 Mn2 F8",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3428780618965517,
"spacegroup": 14
},
{
"id": "jvasp-12821",
"created_at": "2022-09-04T14:38:30.323782Z",
"updated_at": "2022-09-04T14:38:30.323815Z",
"structure_string": "K12 B4 S12\n1.0\n6.231085 0.000000 0.000000\n0.000000 9.143032 -4.037513\n0.000000 -0.130724 12.588965\nK B S\n12 4 12\ndirect\n0.958169 0.891094 0.649758 K\n0.041830 0.108906 0.350243 K\n0.541830 0.891094 0.149757 K\n0.682254 0.220626 0.605419 K\n0.182255 0.779374 0.894582 K\n0.317745 0.779374 0.394582 K\n0.817744 0.220626 0.105419 K\n0.789677 0.541069 0.912486 K\n0.289677 0.458931 0.587515 K\n0.210323 0.458931 0.087515 K\n0.710322 0.541069 0.412485 K\n0.458169 0.108906 0.850243 K\n0.855539 0.731399 0.241756 B\n0.644459 0.731399 0.741756 B\n0.144460 0.268601 0.758245 B\n0.355540 0.268601 0.258245 B\n0.689467 0.850644 0.896314 S\n0.559540 0.215395 0.339975 S\n0.059541 0.784604 0.160026 S\n0.189467 0.149357 0.603687 S\n0.310533 0.149356 0.103686 S\n0.810532 0.850644 0.396314 S\n0.813580 0.569703 0.667533 S\n0.313580 0.430297 0.832468 S\n0.186420 0.430297 0.332468 S\n0.686419 0.569703 0.167533 S\n0.440459 0.784605 0.660026 S\n0.940459 0.215396 0.839975 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"B",
"S"
],
"chemical_system": "B-K-S",
"density": 2.0868546976671585,
"density_atomic": 0.03922023013529287,
"volume": 713.9172795114175,
"volume_molar": 15.354679815050075,
"formula_full": "K12 B4 S12",
"formula_reduced": "K3BS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.0339937976190476,
"spacegroup": 14
},
{
"id": "jvasp-12812",
"created_at": "2022-09-04T14:38:30.354562Z",
"updated_at": "2022-09-04T14:38:30.354591Z",
"structure_string": "Rb12 Tl4 O12\n1.0\n0.000000 7.852954 -0.045493\n7.132241 0.000000 0.000000\n0.000000 -0.747258 -11.539419\nRb Tl O\n12 4 12\ndirect\n0.944034 0.871129 0.344168 Rb\n0.944034 0.628870 0.844168 Rb\n0.360750 0.187183 0.425439 Rb\n0.629598 0.295916 0.689284 Rb\n0.370401 0.795916 0.810716 Rb\n0.370401 0.704084 0.310715 Rb\n0.629598 0.204084 0.189284 Rb\n0.360750 0.312817 0.925439 Rb\n0.639249 0.812817 0.574561 Rb\n0.639249 0.687183 0.074561 Rb\n0.055965 0.371129 0.155832 Rb\n0.055965 0.128870 0.655832 Rb\n0.165605 0.903970 0.070644 Tl\n0.834394 0.096030 0.929356 Tl\n0.165605 0.596030 0.570644 Tl\n0.834394 0.403970 0.429356 Tl\n0.691235 0.930829 0.803141 O\n0.890186 0.966363 0.107051 O\n0.109814 0.466363 0.392948 O\n0.737937 0.371288 0.962146 O\n0.262062 0.871288 0.537854 O\n0.262062 0.628712 0.037854 O\n0.737937 0.128712 0.462146 O\n0.691236 0.569171 0.303141 O\n0.109813 0.033637 0.892948 O\n0.308764 0.069171 0.196859 O\n0.308763 0.430829 0.696859 O\n0.890186 0.533637 0.607051 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"O"
],
"chemical_system": "O-Rb-Tl",
"density": 5.2268183093103815,
"density_atomic": 0.04330640496119872,
"volume": 646.5556313225997,
"volume_molar": 13.905889360697712,
"formula_full": "Rb12 Tl4 O12",
"formula_reduced": "Rb3TlO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4915138571428574,
"spacegroup": 14
},
{
"id": "jvasp-42526",
"created_at": "2022-09-04T14:38:30.706142Z",
"updated_at": "2022-09-04T14:38:30.706168Z",
"structure_string": "Na12 Mn4 O12\n1.0\n0.000000 5.777126 0.034066\n12.391761 0.000000 0.000000\n0.000000 -3.278803 -5.360747\nNa Mn O\n12 4 12\ndirect\n0.427805 0.777237 0.138151 Na\n0.467307 0.515138 0.245592 Na\n0.532693 0.015138 0.254407 Na\n0.572196 0.277237 0.361848 Na\n0.948416 0.399415 0.289965 Na\n0.051585 0.899415 0.210035 Na\n0.948416 0.100585 0.789965 Na\n0.051585 0.600585 0.710035 Na\n0.427805 0.722763 0.638151 Na\n0.467308 0.984862 0.745593 Na\n0.532694 0.484862 0.754407 Na\n0.572196 0.222763 0.861849 Na\n0.098630 0.339870 0.828381 Mn\n0.901371 0.839870 0.671619 Mn\n0.098630 0.160130 0.328380 Mn\n0.901371 0.660130 0.171619 Mn\n0.531145 0.629860 0.990905 O\n0.814708 0.066797 0.119253 O\n0.059529 0.264121 0.072937 O\n0.531144 0.870140 0.490905 O\n0.940472 0.764121 0.427063 O\n0.814709 0.433203 0.619253 O\n0.185292 0.566797 0.380747 O\n0.059529 0.235879 0.572937 O\n0.468857 0.129860 0.509095 O\n0.940472 0.735879 0.927063 O\n0.185293 0.933203 0.880747 O\n0.468856 0.370140 0.009095 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.9860562007768485,
"density_atomic": 0.07322460110936779,
"volume": 382.385148922551,
"volume_molar": 8.224204254804159,
"formula_full": "Na12 Mn4 O12",
"formula_reduced": "Na3MnO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.2859321059113302,
"spacegroup": 14
},
{
"id": "jvasp-20948",
"created_at": "2022-09-04T14:38:30.572590Z",
"updated_at": "2022-09-04T14:38:30.572620Z",
"structure_string": "K8 Ta4 F28\n1.0\n0.000000 5.802316 -0.012428\n12.705844 0.000000 0.000000\n0.000000 -0.026461 -8.506803\nK Ta F\n8 4 28\ndirect\n0.764805 0.218004 0.943747 K\n0.235196 0.718004 0.556253 K\n0.235195 0.781996 0.056253 K\n0.764805 0.281996 0.443747 K\n0.235892 0.060283 0.679836 K\n0.764109 0.560283 0.820164 K\n0.764109 0.939717 0.320164 K\n0.235892 0.439717 0.179836 K\n0.275701 0.127541 0.219601 Ta\n0.724300 0.627541 0.280399 Ta\n0.275701 0.372458 0.719601 Ta\n0.724300 0.872458 0.780399 Ta\n0.535451 0.742139 0.793910 F\n0.043741 0.256514 0.696652 F\n0.464550 0.257861 0.206089 F\n0.535451 0.757861 0.293911 F\n0.464550 0.242139 0.706089 F\n0.530916 0.609753 0.089314 F\n0.957321 0.606789 0.110351 F\n0.957321 0.893211 0.610350 F\n0.042680 0.393211 0.889649 F\n0.469084 0.109753 0.410686 F\n0.956259 0.756514 0.803348 F\n0.042680 0.106789 0.389650 F\n0.956259 0.743485 0.303348 F\n0.189423 0.121612 -0.002989 F\n0.213823 0.975229 0.212500 F\n0.786178 0.475229 0.287501 F\n0.786178 0.024771 0.787500 F\n0.213823 0.524771 0.712499 F\n0.530916 0.890247 0.589314 F\n0.810578 0.621612 0.502989 F\n0.810578 0.878388 0.002989 F\n0.189423 0.378388 0.497011 F\n0.569281 0.076369 0.128053 F\n0.430719 0.576369 0.371948 F\n0.430719 0.923631 0.871947 F\n0.569281 0.423631 0.628052 F\n0.043741 0.243486 0.196652 F\n0.469085 0.390247 0.910686 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Ta",
"F"
],
"chemical_system": "F-K-Ta",
"density": 4.153064255816369,
"density_atomic": 0.06378019257589548,
"volume": 627.1539546137595,
"volume_molar": 9.442023482186778,
"formula_full": "K8 Ta4 F28",
"formula_reduced": "K2TaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1225187177500006,
"spacegroup": 14
}
]
}