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=614",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=612",
"results": [
{
"id": "jvasp-33678",
"created_at": "2022-09-04T14:37:50.810845Z",
"updated_at": "2022-09-04T14:37:50.810870Z",
"structure_string": "Mg2 C4 O8\n1.0\n5.761566 0.000000 0.034482\n0.000000 4.994395 0.000000\n-2.296900 0.000000 4.916701\nMg C O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.088524 0.876659 0.544873 C\n0.411477 0.376659 0.955127 C\n0.588524 0.623342 0.044873 C\n0.911477 0.123342 0.455127 C\n0.128158 0.778251 0.772451 O\n0.179904 0.790639 0.381848 O\n0.371842 0.278251 0.727549 O\n0.320096 0.290639 0.118152 O\n0.679905 0.709362 0.881847 O\n0.628159 0.721750 0.272451 O\n0.820096 0.209362 0.618152 O\n0.871842 0.221750 0.227549 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-O",
"density": 2.629310536118949,
"density_atomic": 0.0986775284802171,
"volume": 141.87627330782533,
"volume_molar": 6.102849202599678,
"formula_full": "Mg2 C4 O8",
"formula_reduced": "Mg(CO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1462547214285714,
"spacegroup": 14
},
{
"id": "jvasp-22440",
"created_at": "2022-09-04T14:37:49.735078Z",
"updated_at": "2022-09-04T14:37:49.735097Z",
"structure_string": "Sr4 Be4 F16\n1.0\n0.000000 5.383236 0.025358\n8.236757 0.000000 0.000000\n0.000000 -5.218972 -6.854755\nSr Be F\n4 4 16\ndirect\n0.031446 0.308031 0.331052 Sr\n0.968555 0.808031 0.168948 Sr\n0.968555 0.691969 0.668948 Sr\n0.031447 0.191969 0.831053 Sr\n0.431377 0.953590 0.683628 Be\n0.568625 0.453590 0.816373 Be\n0.568625 0.046410 0.316373 Be\n0.431376 0.546411 0.183628 Be\n0.299625 0.542718 0.303760 F\n0.700376 0.042718 0.196240 F\n0.760672 0.317421 0.970913 F\n0.239330 0.817421 0.529088 F\n0.239330 0.682579 0.029087 F\n0.760671 0.182579 0.470913 F\n0.410357 0.123469 0.597951 F\n0.208163 0.411965 0.678512 F\n0.589644 0.876531 0.402050 F\n0.410357 0.376531 0.097950 F\n0.299625 0.957283 0.803760 F\n0.791839 0.911965 0.821489 F\n0.791838 0.588035 0.321489 F\n0.208163 0.088035 0.178511 F\n0.589645 0.623470 0.902050 F\n0.700377 0.457282 0.696241 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Be",
"F"
],
"chemical_system": "Be-F-Sr",
"density": 3.786025583010057,
"density_atomic": 0.07924648462696658,
"volume": 302.85255065854494,
"volume_molar": 7.599252873294951,
"formula_full": "Sr4 Be4 F16",
"formula_reduced": "SrBeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-57080",
"created_at": "2022-09-04T14:37:49.952326Z",
"updated_at": "2022-09-04T14:37:49.952346Z",
"structure_string": "K8 Na4 Tl4 O12\n1.0\n0.000000 6.327860 0.054475\n6.983885 0.000000 0.000000\n0.000000 -1.175811 -12.038392\nK Na Tl O\n8 4 4 12\ndirect\n0.573843 0.165865 0.141121 K\n0.929194 0.643202 0.860046 K\n0.070806 0.143201 0.639953 K\n0.573843 0.334135 0.641121 K\n0.426157 0.665865 0.358878 K\n0.070806 0.356799 0.139953 K\n0.426157 0.834136 0.858878 K\n0.929194 0.856799 0.360046 K\n0.361628 0.125156 0.412402 Na\n0.638371 0.874845 0.587597 Na\n0.638371 0.625156 0.087597 Na\n0.361629 0.374845 0.912402 Na\n0.857068 0.368565 0.406354 Tl\n0.857068 0.131435 0.906354 Tl\n0.142932 0.868565 0.093646 Tl\n0.142932 0.631436 0.593645 Tl\n0.242631 0.492061 0.746075 O\n0.722755 0.115726 0.468401 O\n0.722755 0.384275 0.968401 O\n0.277245 0.615726 0.031599 O\n0.794207 0.900111 0.035865 O\n0.205793 0.099890 0.964134 O\n0.205793 0.400110 0.464134 O\n0.242631 0.007939 0.246075 O\n0.757369 0.507939 0.253925 O\n0.757369 0.992062 0.753924 O\n0.277245 0.884275 0.531599 O\n0.794207 0.599890 0.535865 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Na",
"Tl",
"O"
],
"chemical_system": "K-Na-O-Tl",
"density": 4.41799052469031,
"density_atomic": 0.05267456179087671,
"volume": 531.5658839491215,
"volume_molar": 11.432730629840838,
"formula_full": "K8 Na4 Tl4 O12",
"formula_reduced": "K2NaTlO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.4701640142857142,
"spacegroup": 14
},
{
"id": "jvasp-24260",
"created_at": "2022-09-04T14:37:49.957577Z",
"updated_at": "2022-09-04T14:37:49.957608Z",
"structure_string": "Na4 V4 F16\n1.0\n0.000000 7.660290 0.111015\n5.467316 0.000000 0.000000\n0.000000 -1.792113 -7.823710\nNa V F\n4 4 16\ndirect\n0.901157 0.243946 0.605338 Na\n0.598843 0.743947 0.394663 Na\n0.098843 0.756054 0.394663 Na\n0.401157 0.256054 0.605337 Na\n0.706266 0.748766 0.825456 V\n0.793734 0.248766 0.174545 V\n0.293734 0.251234 0.174545 V\n0.206266 0.751235 0.825456 V\n0.846827 0.495584 0.349996 F\n0.653174 -0.004416 0.650005 F\n0.170258 0.993788 0.645467 F\n0.329742 0.493788 0.354534 F\n0.829742 0.006212 0.354534 F\n0.670259 0.506213 0.645467 F\n0.262088 0.004370 0.997745 F\n0.455933 0.723882 0.824309 F\n0.737912 0.995631 0.002255 F\n0.762088 0.495630 0.997746 F\n0.346827 0.004416 0.349996 F\n0.044068 0.223881 0.175691 F\n0.544068 0.276119 0.175692 F\n0.955933 0.776119 0.824309 F\n0.237912 0.504370 0.002255 F\n0.153174 0.504416 0.650004 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"V",
"F"
],
"chemical_system": "F-Na-V",
"density": 3.0492621755456137,
"density_atomic": 0.07348914651202536,
"volume": 326.5788369997299,
"volume_molar": 8.19459885687279,
"formula_full": "Na4 V4 F16",
"formula_reduced": "NaVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0825957216666666,
"spacegroup": 14
},
{
"id": "jvasp-14144",
"created_at": "2022-09-04T14:37:50.199381Z",
"updated_at": "2022-09-04T14:37:50.199401Z",
"structure_string": "Lu4 P4 S16\n1.0\n0.000000 8.128957 0.322207\n6.447472 0.000000 0.000000\n0.000000 -6.359142 -10.784139\nLu P S\n4 4 16\ndirect\n0.561474 0.326006 0.166631 Lu\n0.438526 0.826006 0.333369 Lu\n0.438527 0.673993 0.833369 Lu\n0.561474 0.173993 0.666631 Lu\n0.702379 0.225664 0.967320 P\n0.297622 0.725664 0.532680 P\n0.297622 0.774335 0.032680 P\n0.702379 0.274336 0.467320 P\n0.244287 0.553923 0.130335 S\n0.755713 0.053923 0.369665 S\n0.735561 0.953418 0.892282 S\n0.264439 0.453418 0.607718 S\n0.264439 0.046582 0.107717 S\n0.735561 0.546582 0.392282 S\n0.876121 0.245388 0.157884 S\n0.411798 0.266997 0.910615 S\n0.123880 0.754612 0.842115 S\n0.876121 0.254612 0.657884 S\n0.244287 0.946077 0.630335 S\n0.588203 0.766997 0.589385 S\n0.588203 0.733002 0.089385 S\n0.411798 0.233003 0.410615 S\n0.123879 0.745388 0.342115 S\n0.755713 0.446077 0.869665 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"P",
"S"
],
"chemical_system": "Lu-P-S",
"density": 4.021406721906529,
"density_atomic": 0.04347831620006959,
"volume": 551.9992975248105,
"volume_molar": 13.8509061213147,
"formula_full": "Lu4 P4 S16",
"formula_reduced": "LuPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0181602083333336,
"spacegroup": 14
},
{
"id": "jvasp-12795",
"created_at": "2022-09-04T14:37:50.417920Z",
"updated_at": "2022-09-04T14:37:50.417944Z",
"structure_string": "Na12 Ga4 Se12\n1.0\n7.224569 0.000000 0.000000\n0.000000 7.478247 -0.096382\n0.000000 -0.033924 13.203503\nNa Ga Se\n12 4 12\ndirect\n0.470548 0.725617 0.785130 Na\n0.970548 0.774385 0.714870 Na\n0.529452 0.274384 0.214870 Na\n0.029452 0.225616 0.285130 Na\n0.499690 0.331557 0.607059 Na\n0.999690 0.168444 0.892940 Na\n0.500310 0.668444 0.392941 Na\n0.000310 0.831557 0.107060 Na\n0.499526 0.216192 0.899127 Na\n0.999526 0.283809 0.600872 Na\n0.500474 0.783809 0.100873 Na\n0.000474 0.716192 0.399127 Na\n0.642978 0.086250 0.416015 Ga\n0.142978 0.413750 0.083985 Ga\n0.357022 0.913751 0.583985 Ga\n0.857022 0.586251 0.916015 Ga\n0.703105 0.921940 0.572214 Se\n0.203105 0.578061 0.927786 Se\n0.296895 0.078061 0.427786 Se\n0.796895 0.421940 0.072214 Se\n0.255300 0.074674 0.731426 Se\n0.755300 0.425327 0.768574 Se\n0.744700 0.925327 0.268574 Se\n0.244700 0.574674 0.231426 Se\n0.740560 0.884254 0.926685 Se\n0.240560 0.615748 0.573315 Se\n0.259440 0.115747 0.073315 Se\n0.759440 0.384253 0.426685 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Ga",
"Se"
],
"chemical_system": "Ga-Na-Se",
"density": 3.4971649416826596,
"density_atomic": 0.039252877209467206,
"volume": 713.3235062128597,
"volume_molar": 15.341909149394914,
"formula_full": "Na12 Ga4 Se12",
"formula_reduced": "Na3GaSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.1173099178571429,
"spacegroup": 14
},
{
"id": "jvasp-29383",
"created_at": "2022-09-04T14:37:50.656182Z",
"updated_at": "2022-09-04T14:37:50.656196Z",
"structure_string": "Tl8 Se12 O36\n1.0\n4.558729 0.000000 -0.523856\n0.000000 11.417444 0.000000\n0.000350 0.000000 16.904100\nTl Se O\n8 12 36\ndirect\n0.816133 0.061114 0.705298 Tl\n0.683868 0.561113 0.794701 Tl\n0.266280 0.849913 0.875224 Tl\n0.766280 0.650086 0.375224 Tl\n0.183867 0.938886 0.294702 Tl\n0.233720 0.349914 0.624775 Tl\n0.316133 0.438886 0.205298 Tl\n0.733720 0.150086 0.124775 Tl\n0.275893 0.105595 0.540547 Se\n0.307880 0.821681 0.686426 Se\n0.783641 0.559080 0.587298 Se\n0.807880 0.678318 0.186426 Se\n0.283640 0.940920 0.087299 Se\n0.216360 0.440920 0.412701 Se\n0.724107 0.894405 0.459452 Se\n0.775893 0.394405 0.040547 Se\n0.692120 0.178318 0.313574 Se\n0.716360 0.059080 0.912701 Se\n0.192120 0.321682 0.813574 Se\n0.224107 0.605595 0.959452 Se\n0.029729 0.025925 0.587717 O\n0.790075 0.629853 0.678166 O\n0.686253 0.566147 0.248247 O\n0.288003 0.586465 0.388464 O\n0.892367 0.388373 0.843709 O\n0.970271 0.974075 0.412283 O\n0.290075 0.870146 0.178166 O\n0.711997 0.413535 0.611536 O\n0.654993 0.964845 0.080907 O\n0.788003 0.913534 0.888464 O\n0.529730 0.474075 0.087717 O\n0.571451 0.259748 0.226730 O\n0.845008 0.464845 0.419093 O\n0.813747 0.066147 0.251752 O\n0.313747 0.433852 0.751753 O\n0.071451 0.240252 0.726730 O\n0.928549 0.759747 0.273270 O\n0.400884 0.736398 0.984203 O\n0.107633 0.611626 0.156291 O\n0.709925 0.129853 0.821834 O\n0.997565 0.330749 0.122627 O\n0.502435 0.830749 0.377372 O\n0.470271 0.525925 0.912283 O\n0.607633 0.888373 0.656290 O\n0.345008 0.035154 0.919093 O\n0.392367 0.111627 0.343709 O\n0.428549 0.740252 0.773270 O\n0.002435 0.669251 0.877372 O\n0.209925 0.370147 0.321834 O\n0.211997 0.086465 0.111536 O\n0.154992 0.535154 0.580907 O\n0.497565 0.169251 0.622627 O\n0.186253 0.933852 0.748247 O\n0.099116 0.236398 0.515796 O\n0.900884 0.763602 0.484203 O\n0.599117 0.263602 0.015796 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Tl",
"Se",
"O"
],
"chemical_system": "O-Se-Tl",
"density": 5.961192360300317,
"density_atomic": 0.06364763554003966,
"volume": 879.8441532799964,
"volume_molar": 9.461688103419919,
"formula_full": "Tl8 Se12 O36",
"formula_reduced": "Tl2(SeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.113054771428572,
"spacegroup": 14
},
{
"id": "jvasp-20818",
"created_at": "2022-09-04T14:37:50.881282Z",
"updated_at": "2022-09-04T14:37:50.881307Z",
"structure_string": "Y4 Si8 Mo6\n1.0\n0.000000 6.787069 0.008369\n6.949542 0.000000 0.000000\n0.000000 -2.240814 -6.514411\nY Si Mo\n4 8 6\ndirect\n0.938819 0.169882 0.809422 Y\n0.438819 0.330118 0.809422 Y\n0.061182 0.830118 0.190578 Y\n0.561182 0.669882 0.190578 Y\n0.867304 0.454574 0.090474 Si\n0.632696 0.954574 0.909526 Si\n0.371341 0.632400 0.505016 Si\n0.128659 0.132401 0.494984 Si\n0.871341 0.867599 0.505016 Si\n0.628659 0.367599 0.494984 Si\n0.132696 0.545425 0.909526 Si\n0.367304 0.045426 0.090474 Si\n0.000000 0.500000 0.500000 Mo\n0.250987 0.837919 0.750048 Mo\n0.249014 0.337919 0.249952 Mo\n0.749014 0.162081 0.249952 Mo\n0.750987 0.662081 0.750047 Mo\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Y",
"density": 6.249680456088226,
"density_atomic": 0.058606143985671995,
"volume": 307.1350335623622,
"volume_molar": 10.275613357999275,
"formula_full": "Y4 Si8 Mo6",
"formula_reduced": "Y2Si4Mo3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.7049303333333325,
"spacegroup": 14
},
{
"id": "jvasp-25020",
"created_at": "2022-09-04T14:37:50.913912Z",
"updated_at": "2022-09-04T14:37:50.913928Z",
"structure_string": "I8 Cl8 O8 F8\n1.0\n0.000000 7.517596 0.058837\n7.042502 0.000000 0.000000\n0.000000 -1.070086 -12.730549\nI Cl O F\n8 8 8 8\ndirect\n0.309561 0.397783 0.414282 I\n0.643915 0.457845 0.218162 I\n0.356085 0.542155 0.781838 I\n0.143914 0.042155 0.218162 I\n0.190438 0.897783 0.585718 I\n0.856086 0.957845 0.781838 I\n0.690439 0.602217 0.585718 I\n0.809562 0.102217 0.414282 I\n0.715755 0.874902 0.936022 Cl\n0.539182 0.761188 0.155010 Cl\n0.460818 0.238812 0.844990 Cl\n0.039182 0.738812 0.155010 Cl\n0.784246 0.374902 0.063978 Cl\n0.284245 0.125097 0.063978 Cl\n0.960818 0.261188 0.844990 Cl\n0.215754 0.625097 0.936022 Cl\n0.770598 0.649015 0.722430 O\n0.270598 0.850985 0.722430 O\n0.039757 0.025655 0.395251 O\n0.460242 0.525654 0.604749 O\n0.229402 0.350985 0.277570 O\n0.539758 0.474345 0.395251 O\n0.960243 0.974345 0.604749 O\n0.729402 0.149015 0.277569 O\n0.417317 0.132681 0.424200 F\n0.582683 0.867319 0.575800 F\n0.082683 0.632680 0.575800 F\n0.741372 0.833034 0.392074 F\n0.258628 0.166966 0.607926 F\n0.917317 0.367319 0.424200 F\n0.758628 0.333034 0.607926 F\n0.241372 0.666966 0.392074 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"I",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-I-O",
"density": 3.892427481407194,
"density_atomic": 0.04750974386272852,
"volume": 673.5460433644656,
"volume_molar": 12.675590879630862,
"formula_full": "I8 Cl8 O8 F8",
"formula_reduced": "IClOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.3395135312499999,
"spacegroup": 14
},
{
"id": "jvasp-5734",
"created_at": "2022-09-04T14:37:51.670913Z",
"updated_at": "2022-09-04T14:37:51.670939Z",
"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.662098 -0.089719\n6.538849 0.000000 0.000000\n0.000000 -2.126545 -9.525955\nSn Cl\n4 16\ndirect\n0.247231 0.081001 0.872667 Sn\n0.752770 0.581001 0.627334 Sn\n0.752770 0.919000 0.127334 Sn\n0.247230 0.418999 0.372667 Sn\n0.563760 0.087245 0.191176 Cl\n0.436241 0.587245 0.308825 Cl\n0.313369 0.415013 0.934532 Cl\n0.686632 0.915013 0.565469 Cl\n0.686631 0.584987 0.065469 Cl\n0.313369 0.084987 0.434531 Cl\n0.056351 0.077773 0.682969 Cl\n0.943650 0.922227 0.317032 Cl\n0.563760 0.412755 0.691176 Cl\n0.056351 0.422227 0.182969 Cl\n0.187109 0.587898 0.561034 Cl\n0.812892 0.087898 0.938967 Cl\n0.812892 0.412102 0.438967 Cl\n0.187109 0.912102 0.061034 Cl\n0.943650 0.577774 0.817032 Cl\n0.436241 0.912755 0.808825 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn",
"density": 2.869279804420745,
"density_atomic": 0.03316266355244148,
"volume": 603.0878662195869,
"volume_molar": 18.159400105112006,
"formula_full": "Sn4 Cl16",
"formula_reduced": "SnCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.101237627,
"spacegroup": 14
},
{
"id": "jvasp-30296",
"created_at": "2022-09-04T14:37:51.604048Z",
"updated_at": "2022-09-04T14:37:51.604078Z",
"structure_string": "Zn2 H12 Se4 O16\n1.0\n-7.132204 -0.156367 0.000000\n-2.939864 7.233296 0.000000\n0.000000 0.000000 -6.853746\nZn H Se O\n2 12 4 16\ndirect\n0.499999 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.879165 0.917749 0.344035 H\n0.762023 0.740301 0.522716 H\n0.737976 0.759699 0.022716 H\n0.736650 0.369851 0.787228 H\n0.620833 0.582251 0.844035 H\n0.763349 0.130149 0.287228 H\n0.236650 0.869851 0.712773 H\n0.379166 0.417749 0.155965 H\n0.263349 0.630149 0.212772 H\n0.262023 0.240301 0.977284 H\n0.237976 0.259699 0.477284 H\n0.120834 0.082251 0.655965 H\n0.051690 0.609896 0.733427 Se\n0.551690 0.109896 0.766574 Se\n0.948309 0.390104 0.266574 Se\n0.448309 0.890104 0.233427 Se\n0.192563 -0.000298 0.763414 O\n0.104226 0.243653 0.458742 O\n0.395774 0.256347 0.958742 O\n0.307437 0.500298 0.263414 O\n0.261555 0.655122 0.678004 O\n0.462103 0.245694 0.567502 O\n0.238443 0.844879 0.178004 O\n0.537896 0.754306 0.432499 O\n0.738444 0.344878 0.321997 O\n0.692562 0.499702 0.736586 O\n0.604225 0.743653 0.041259 O\n0.895773 0.756347 0.541259 O\n0.807437 0.000297 0.236586 O\n0.962102 0.745694 0.932499 O\n0.761555 0.155122 0.821997 O\n0.037897 0.254306 0.067502 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"Se",
"O"
],
"chemical_system": "H-O-Se-Zn",
"density": 3.327045107672464,
"density_atomic": 0.09530993749349352,
"volume": 356.730902297791,
"volume_molar": 6.318481491409132,
"formula_full": "Zn2 H12 Se4 O16",
"formula_reduced": "ZnH6(SeO4)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.587557360784313,
"spacegroup": 14
},
{
"id": "jvasp-50694",
"created_at": "2022-09-04T14:37:51.681067Z",
"updated_at": "2022-09-04T14:37:51.681087Z",
"structure_string": "Li4 Cu2 F8\n1.0\n0.000000 2.960398 0.304805\n9.342982 0.000000 0.000000\n0.000000 -1.797382 -5.196993\nLi Cu F\n4 2 8\ndirect\n0.748569 0.651323 0.965011 Li\n0.251433 0.151323 0.534989 Li\n0.748569 0.848677 0.465011 Li\n0.251433 0.348677 0.034989 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.019784 0.676653 0.687012 F\n0.019783 0.823346 0.187013 F\n0.573092 0.437578 0.802026 F\n0.426910 0.937578 0.697975 F\n0.573091 0.062422 0.302026 F\n0.426910 0.562422 0.197975 F\n-0.019783 0.176654 0.812987 F\n-0.019783 0.323346 0.312987 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.675570516412966,
"density_atomic": 0.10099204302951939,
"volume": 138.62478250794354,
"volume_molar": 5.962985379194441,
"formula_full": "Li4 Cu2 F8",
"formula_reduced": "Li2CuF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0505314689285713,
"spacegroup": 14
}
]
}