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=-formula_anonymous&page=4371",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4369",
"results": [
{
"id": "jvasp-12918",
"created_at": "2022-09-04T14:36:42.272863Z",
"updated_at": "2022-09-04T14:36:42.272890Z",
"structure_string": "Ge5 Te8 As2\n1.0\n2.108970 -3.652843 0.000000\n2.108970 3.652843 0.000000\n0.000000 -0.000000 27.169262\nGe Te As\n5 8 2\ndirect\n0.000000 0.000000 0.000000 Ge\n0.666667 0.333333 0.260083 Ge\n0.333333 0.666667 0.129766 Ge\n0.333333 0.666667 0.739916 Ge\n0.666667 0.333333 0.870234 Ge\n0.333333 0.666667 0.323288 Te\n0.333333 0.666667 0.935318 Te\n0.666667 0.333333 0.676712 Te\n0.666667 0.333333 0.064682 Te\n-0.000000 -0.000000 0.805937 Te\n-0.000000 -0.000000 0.194063 Te\n0.333333 0.666667 0.551396 Te\n0.666667 0.333333 0.448604 Te\n-0.000000 -0.000000 0.607935 As\n-0.000000 -0.000000 0.392065 As\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ge",
"Te",
"As"
],
"chemical_system": "As-Ge-Te",
"density": 6.084442858114313,
"density_atomic": 0.035832904579558955,
"volume": 418.60965992013996,
"volume_molar": 16.806175303565418,
"formula_full": "Ge5 Te8 As2",
"formula_reduced": "Ge5(Te4As)2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 1.316098358888889,
"spacegroup": 164
},
{
"id": "jvasp-97708",
"created_at": "2022-09-04T14:35:52.790493Z",
"updated_at": "2022-09-04T14:35:52.790517Z",
"structure_string": "Pb5 I2 F8\n1.0\n4.252751 -0.018546 18.741044\n2.083956 3.707203 18.741044\n-0.031859 -0.018546 19.217482\nPb I F\n5 2 8\ndirect\n0.005651 0.005650 0.005650 Pb\n0.388516 0.388514 0.388515 Pb\n0.475067 0.475064 0.475066 Pb\n0.191250 0.191249 0.191250 Pb\n0.919262 0.919257 0.919261 Pb\n0.761858 0.761854 0.761857 I\n0.626046 0.626043 0.626045 I\n0.146708 0.146707 0.146708 F\n0.242442 0.242441 0.242442 F\n0.342340 0.342338 0.342340 F\n0.517729 0.517726 0.517728 F\n0.879075 0.879070 0.879074 F\n0.047989 0.047989 0.047989 F\n0.694067 0.694063 0.694066 F\n0.828215 0.828211 0.828214 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Pb",
"I",
"F"
],
"chemical_system": "F-I-Pb",
"density": 7.806184155078915,
"density_atomic": 0.048907682914785804,
"volume": 306.7002790979736,
"volume_molar": 12.313281679061884,
"formula_full": "Pb5 I2 F8",
"formula_reduced": "Pb5(IF4)2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 0.1125806666666666,
"spacegroup": 160
},
{
"id": "jvasp-22438",
"created_at": "2022-09-04T14:37:55.993631Z",
"updated_at": "2022-09-04T14:37:55.993651Z",
"structure_string": "Sr4 Si10 N16\n1.0\n5.749045 0.000000 0.000000\n0.000000 6.867364 0.000000\n0.000000 0.000000 9.408426\nSr Si N\n4 10 16\ndirect\n0.500000 0.117160 0.867193 Sr\n0.000000 0.882840 0.367193 Sr\n0.500000 0.128392 0.500304 Sr\n0.000000 0.871607 0.000304 Sr\n0.252074 0.667103 0.683077 Si\n0.247926 0.332896 0.183077 Si\n0.747927 0.667103 0.683077 Si\n0.000000 0.054854 0.677356 Si\n0.752074 0.332896 0.183077 Si\n0.000000 0.419804 0.461027 Si\n0.500000 0.580195 0.961027 Si\n0.000000 0.401716 0.902180 Si\n0.500000 0.598283 0.402180 Si\n0.500000 0.945145 0.177356 Si\n0.250645 0.555740 0.511230 N\n0.248284 0.913473 0.671832 N\n0.251717 0.086526 0.171832 N\n0.751717 0.913473 0.671832 N\n0.748284 0.086526 0.171832 N\n0.249356 0.444259 0.011230 N\n0.750645 0.444259 0.011230 N\n0.500000 0.572941 0.771735 N\n0.000000 0.586592 0.773592 N\n0.500000 0.413407 0.273592 N\n0.000000 0.173725 0.838629 N\n0.500000 0.826274 0.338629 N\n0.000000 0.427058 0.271735 N\n0.000000 0.189499 0.521061 N\n0.749356 0.555740 0.511230 N\n0.500000 0.810501 0.021061 N\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Si",
"N"
],
"chemical_system": "N-Si-Sr",
"density": 3.8241684946137515,
"density_atomic": 0.0807641275090703,
"volume": 371.45204096497935,
"volume_molar": 7.45645492093464,
"formula_full": "Sr4 Si10 N16",
"formula_reduced": "Sr2Si5N8",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.531234774666666,
"spacegroup": 31
},
{
"id": "jvasp-112234",
"created_at": "2022-09-04T14:38:46.442920Z",
"updated_at": "2022-09-04T14:38:46.442944Z",
"structure_string": "H32 C20 O8\n1.0\n5.188925 0.000000 -2.118330\n0.000000 14.620964 0.000000\n-0.002281 0.000000 6.246791\nH C O\n32 20 8\ndirect\n0.899783 0.502052 0.752293 H\n0.412318 0.023422 0.461877 H\n0.587683 0.523422 0.538123 H\n0.860846 0.515515 0.457548 H\n0.639477 0.207824 0.896238 H\n0.360524 0.707824 0.103762 H\n0.002342 0.308403 0.126669 H\n-0.002342 0.808403 0.873331 H\n0.433057 0.167759 0.206941 H\n0.566944 0.667759 0.793059 H\n0.108288 0.159186 0.004342 H\n0.891713 0.659186 0.995658 H\n0.205050 0.357890 0.520315 H\n0.794951 0.857890 0.479685 H\n0.181205 0.201507 0.694268 H\n0.818796 0.701507 0.305732 H\n0.139155 0.015515 0.542452 H\n0.174028 0.645072 0.580897 H\n0.825973 0.145072 0.419103 H\n0.100218 0.002052 0.247707 H\n0.295423 0.794384 0.520818 H\n0.704578 0.294384 0.479183 H\n0.313275 0.853801 0.278371 H\n0.686726 0.353802 0.721629 H\n0.496553 0.047745 0.980271 H\n0.585683 0.963546 0.200340 H\n0.414318 0.463546 0.799661 H\n0.306203 0.945406 0.945758 H\n0.693798 0.445406 0.054242 H\n0.243354 0.580199 0.255341 H\n0.756647 0.080199 0.744659 H\n0.503448 0.547745 0.019729 H\n0.331319 0.427687 0.093715 C\n0.668682 0.927687 0.906285 C\n0.793134 0.539340 0.592100 C\n0.498476 0.474146 0.987806 C\n0.398134 0.798471 0.402092 C\n0.601867 0.298471 0.597908 C\n0.501525 0.974146 0.012194 C\n0.585221 0.205264 0.707950 C\n0.206867 0.039341 0.407900 C\n0.414780 0.705263 0.292050 C\n0.796891 0.785987 0.790315 C\n0.845447 0.641390 0.633937 C\n0.203110 0.285987 0.209685 C\n0.231565 0.183545 0.176689 C\n0.768436 0.683545 0.823311 C\n0.302461 0.300921 0.473183 C\n0.697540 0.800921 0.526817 C\n0.284280 0.204544 0.576337 C\n0.715721 0.704544 0.423664 C\n0.154554 0.141391 0.366064 C\n0.737618 0.137221 0.653505 O\n0.262383 0.637221 0.346495 O\n0.183606 0.467820 0.167353 O\n0.122069 0.656503 0.713848 O\n0.354072 0.336385 0.098431 O\n0.645929 0.836385 0.901569 O\n0.816395 0.967820 0.832647 O\n0.877932 0.156503 0.286152 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.403350535302032,
"density_atomic": 0.12662096453084135,
"volume": 473.8551804775241,
"volume_molar": 4.7560376611514235,
"formula_full": "H32 C20 O8",
"formula_reduced": "H8C5O2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.580653799999999,
"spacegroup": 4
},
{
"id": "jvasp-113048",
"created_at": "2022-09-04T14:38:45.711306Z",
"updated_at": "2022-09-04T14:38:45.711326Z",
"structure_string": "Zr14 V10 N4\n1.0\n7.511112 -0.014177 -4.306427\n-2.497962 7.064285 -4.338016\n-0.007352 0.014177 8.658063\nZr V N\n14 10 4\ndirect\n0.189910 0.939909 0.249999 Zr\n0.500000 0.499999 -0.000001 Zr\n0.811135 0.690441 0.753965 Zr\n0.436475 0.057168 0.746033 Zr\n0.436475 0.690441 0.379306 Zr\n0.811135 0.057168 0.120693 Zr\n0.439080 0.689079 0.749999 Zr\n0.000000 0.500000 0.500000 Zr\n0.188865 0.309558 0.246033 Zr\n0.563525 0.942831 0.253965 Zr\n0.563525 0.309558 0.620693 Zr\n0.188865 0.942831 0.879306 Zr\n0.560920 0.310920 0.249999 Zr\n0.810090 0.060090 0.749999 Zr\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 -0.000000 V\n0.189980 0.608751 0.918770 V\n0.189980 0.271210 0.581229 V\n0.190257 0.287648 0.902607 V\n0.810020 0.391249 0.081228 V\n0.810020 0.728789 0.418770 V\n0.809743 0.712351 0.097391 V\n0.114960 0.712352 0.402607 V\n0.885040 0.287648 0.597391 V\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.499999 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"V",
"N"
],
"chemical_system": "N-V-Zr",
"density": 6.658901786784773,
"density_atomic": 0.06093765097272741,
"volume": 459.4860411099761,
"volume_molar": 9.882462917212226,
"formula_full": "Zr14 V10 N4",
"formula_reduced": "Zr7V5N2",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 5.459729928571429,
"spacegroup": 74
},
{
"id": "jvasp-119567",
"created_at": "2022-09-04T14:38:35.575851Z",
"updated_at": "2022-09-04T14:38:35.575869Z",
"structure_string": "Cu5 Sn2 Se7\n1.0\n6.951253 0.013748 0.900698\n4.597666 5.213594 0.900698\n-0.003602 -0.001630 9.050629\nCu Sn Se\n5 2 7\ndirect\n0.732141 0.267860 0.500000 Cu\n0.886968 0.405147 0.074244 Cu\n0.594853 0.113032 0.925756 Cu\n0.448915 0.978348 0.357919 Cu\n0.021652 0.551085 0.642081 Cu\n0.148945 0.702350 0.224374 Sn\n0.297650 0.851055 0.775626 Sn\n0.354223 0.349412 0.443183 Se\n0.650588 0.645777 0.556818 Se\n0.514150 0.485850 0.000000 Se\n0.048803 0.114176 0.292224 Se\n0.885824 0.951196 0.707776 Se\n0.742433 0.809541 0.138551 Se\n0.190459 0.257568 0.861449 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.618106901712123,
"density_atomic": 0.04275433291806964,
"volume": 327.4521912627727,
"volume_molar": 14.085451342534713,
"formula_full": "Cu5 Sn2 Se7",
"formula_reduced": "Cu5Sn2Se7",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 0.7255170869047619,
"spacegroup": 5
},
{
"id": "jvasp-119164",
"created_at": "2022-09-04T14:38:36.045830Z",
"updated_at": "2022-09-04T14:38:36.045856Z",
"structure_string": "Mn10 Nb14 N4\n1.0\n7.086300 -0.024917 4.035254\n-4.756530 6.717334 0.000000\n-0.000000 -0.000000 8.070509\nMn Nb N\n10 14 4\ndirect\n0.106713 0.885782 0.196644 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.584531 0.792265 0.813973 Mn\n0.584531 0.792265 0.101495 Mn\n0.893286 0.779068 0.803356 Mn\n0.500000 0.500000 -0.000000 Mn\n0.415468 0.207734 0.186027 Mn\n0.415468 0.207734 0.898505 Mn\n0.106713 0.220931 0.196644 Mn\n0.893286 0.114217 0.803356 Mn\n0.747244 0.183080 0.181157 Nb\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.747244 0.183080 0.571599 Nb\n0.747244 0.564162 0.181157 Nb\n0.747244 0.564162 0.571599 Nb\n0.142977 0.571488 0.178512 Nb\n0.252755 0.435837 0.428401 Nb\n0.252755 0.816919 0.428401 Nb\n0.252755 0.435837 0.818843 Nb\n0.252755 0.816919 0.818843 Nb\n0.857022 0.428511 0.821488 Nb\n0.623474 0.811737 0.438262 Nb\n0.376526 0.188262 0.561738 Nb\n-0.000000 0.500000 0.000000 N\n0.500000 -0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n-0.000000 0.500000 0.500000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"N"
],
"chemical_system": "Mn-N-Nb",
"density": 8.259604673035811,
"density_atomic": 0.0730673396807283,
"volume": 383.20814911761556,
"volume_molar": 8.241905051304824,
"formula_full": "Mn10 Nb14 N4",
"formula_reduced": "Mn5Nb7N2",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 6.144735607635468,
"spacegroup": 74
},
{
"id": "jvasp-98508",
"created_at": "2022-09-04T14:36:01.352156Z",
"updated_at": "2022-09-04T14:36:01.352192Z",
"structure_string": "Cu10 Si4 S14\n1.0\n6.345419 0.000000 0.000000\n-3.172709 8.175629 -0.321464\n0.000000 0.018318 9.611769\nCu Si S\n10 4 14\ndirect\n0.543466 0.758256 0.299826 Cu\n0.632207 0.607697 0.934669 Cu\n0.975490 0.607697 0.434669 Cu\n0.684139 0.039059 0.002424 Cu\n0.057751 0.464848 0.079914 Cu\n0.407098 0.464848 0.579914 Cu\n0.772000 0.898424 0.663986 Cu\n0.354920 0.039059 0.502424 Cu\n0.921984 0.187320 0.375315 Cu\n0.265337 0.187320 0.875315 Cu\n0.214790 0.758256 0.799826 Si\n0.809174 0.328704 0.726992 Si\n0.519530 0.328703 0.226992 Si\n0.126424 0.898424 0.163986 Si\n0.623585 0.544368 0.386057 S\n0.920784 0.544368 0.886057 S\n0.886703 0.112396 0.820536 S\n0.225694 0.112396 0.320536 S\n0.742896 0.823568 0.089893 S\n0.328037 0.967330 0.962140 S\n0.639293 0.967330 0.462140 S\n0.165579 0.670466 0.248218 S\n0.504887 0.670466 0.748218 S\n0.796210 0.230912 0.160918 S\n0.029936 0.407054 0.529615 S\n0.377118 0.407054 0.029615 S\n0.080672 0.823568 0.589894 S\n0.434702 0.230912 0.660918 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Si",
"S"
],
"chemical_system": "Cu-S-Si",
"density": 3.984936411674361,
"density_atomic": 0.0561488264489094,
"volume": 498.6747145192356,
"volume_molar": 10.725319015313042,
"formula_full": "Cu10 Si4 S14",
"formula_reduced": "Cu5Si2S7",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 1.5009749607142857,
"spacegroup": 1
},
{
"id": "jvasp-26948",
"created_at": "2022-09-04T14:38:36.729423Z",
"updated_at": "2022-09-04T14:38:36.729443Z",
"structure_string": "Rb7 Au5 O2\n1.0\n5.448295 0.000060 -1.623043\n-1.303863 8.149771 -4.376550\n-0.020873 -0.049407 9.884707\nRb Au O\n7 5 2\ndirect\n0.000000 0.500000 -0.000000 Rb\n0.499996 0.788627 -0.000002 Rb\n0.500004 0.211373 0.000002 Rb\n0.168092 0.391540 0.336189 Rb\n0.831908 0.608460 0.663811 Rb\n0.831913 0.055355 0.663816 Rb\n0.168087 0.944645 0.336184 Rb\n0.000000 0.000000 0.000000 Au\n0.350959 0.350941 0.701888 Au\n0.649041 0.649059 0.298112 Au\n0.688045 0.188050 0.376106 Au\n0.311955 0.811950 0.623895 Au\n0.000011 0.216538 0.000005 O\n-0.000010 0.783462 -0.000005 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Au",
"O"
],
"chemical_system": "Au-O-Rb",
"density": 6.132318777799396,
"density_atomic": 0.0320112449500223,
"volume": 437.34631445473497,
"volume_molar": 18.812579046525972,
"formula_full": "Rb7 Au5 O2",
"formula_reduced": "Rb7Au5O2",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 0.0996737650000002,
"spacegroup": 71
},
{
"id": "jvasp-96933",
"created_at": "2022-09-04T14:35:57.857119Z",
"updated_at": "2022-09-04T14:35:57.857153Z",
"structure_string": "La12 Ti4 S16 O10\n1.0\n4.021626 0.000000 0.000000\n0.000000 12.623390 -1.518235\n0.000000 -0.022854 16.444456\nLa Ti S O\n12 4 16 10\ndirect\n0.750001 0.320880 0.648066 La\n0.750001 0.269303 0.102815 La\n0.750001 0.998804 0.380405 La\n0.750001 0.384361 0.397516 La\n0.250000 0.068257 0.882619 La\n0.250000 0.001196 0.619596 La\n0.250000 0.730697 0.897185 La\n0.250000 0.679120 0.351935 La\n0.250000 0.395549 0.874030 La\n0.750001 0.931743 0.117381 La\n0.750001 0.604451 0.125970 La\n0.250000 0.615640 0.602484 La\n0.250000 0.153325 0.233534 Ti\n0.250000 0.441584 0.226562 Ti\n0.750001 0.558416 0.773439 Ti\n0.750001 0.846675 0.766467 Ti\n0.750001 0.030683 0.754283 S\n0.750001 0.912965 0.932372 S\n0.250000 0.969318 0.245718 S\n0.750001 0.775168 0.268774 S\n0.250000 0.885606 0.454928 S\n0.750001 0.804618 0.625638 S\n0.750001 0.114394 0.545073 S\n0.750001 0.235990 0.924308 S\n0.250000 0.195382 0.374362 S\n0.250000 0.391558 0.534405 S\n0.750001 0.608442 0.465595 S\n0.250000 0.224833 0.731227 S\n0.250000 0.087035 0.067628 S\n0.250000 0.764010 0.075693 S\n0.750001 0.569182 0.938537 S\n0.250000 0.430819 0.061464 S\n0.250000 0.287614 0.192439 O\n0.750001 0.414828 0.787222 O\n0.750001 0.149757 0.218211 O\n0.250000 0.585173 0.212778 O\n0.250000 0.850243 0.781790 O\n0.750001 0.544373 0.659655 O\n0.750001 0.712386 0.807561 O\n0.750001 0.432958 0.219203 O\n0.250000 0.455627 0.340345 O\n0.250000 0.567042 0.780798 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"La",
"Ti",
"S",
"O"
],
"chemical_system": "La-O-S-Ti",
"density": 5.035930509039959,
"density_atomic": 0.05031815372842857,
"volume": 834.6888128423319,
"volume_molar": 11.968127432699568,
"formula_full": "La12 Ti4 S16 O10",
"formula_reduced": "La6Ti2S8O5",
"formula_anonymous": "A2B5C6D8",
"energy_above_hull": 2.6554478174603173,
"spacegroup": 11
},
{
"id": "jvasp-96077",
"created_at": "2022-09-04T14:36:07.481732Z",
"updated_at": "2022-09-04T14:36:07.481772Z",
"structure_string": "K12 Pb4 O10\n1.0\n6.357996 -0.020753 0.664292\n0.109437 7.470440 1.471097\n-0.008186 -0.025274 12.495587\nK Pb O\n12 4 10\ndirect\n0.781015 0.701710 0.124766 K\n0.588796 0.867219 0.625940 K\n0.411204 0.132782 0.374060 K\n0.218985 0.298291 0.875234 K\n0.435440 0.609904 0.364773 K\n0.564561 0.390096 0.635228 K\n0.920242 0.407940 0.384289 K\n0.079759 0.592060 0.615711 K\n0.315826 0.950149 0.122717 K\n0.684174 0.049852 0.877283 K\n0.304481 0.484735 0.123597 K\n0.695519 0.515266 0.876403 K\n0.915370 0.873001 0.355346 Pb\n0.237098 0.788747 0.865368 Pb\n0.762903 0.211254 0.134632 Pb\n0.084631 0.127000 0.644655 Pb\n0.646288 0.946705 0.244271 O\n0.353712 0.053296 0.755729 O\n0.516236 0.243799 0.024111 O\n0.483764 0.756202 0.975889 O\n0.746163 0.673840 0.480771 O\n0.253837 0.326161 0.519229 O\n0.622256 0.385212 0.242835 O\n0.377745 0.614789 0.757165 O\n0.084016 0.693395 0.258013 O\n0.915984 0.306606 0.741987 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"Pb",
"O"
],
"chemical_system": "K-O-Pb",
"density": 4.077119194249213,
"density_atomic": 0.04378526661801967,
"volume": 593.8070499107065,
"volume_molar": 13.753806303240848,
"formula_full": "K12 Pb4 O10",
"formula_reduced": "K6Pb2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 0.5506259338461538,
"spacegroup": 2
},
{
"id": "jvasp-61613",
"created_at": "2022-09-04T14:35:59.232263Z",
"updated_at": "2022-09-04T14:35:59.232285Z",
"structure_string": "Sr10 Sn4 As12\n1.0\n4.295550 0.000000 0.000000\n0.000000 12.558507 -0.000000\n0.000000 0.000000 14.119599\nSr Sn As\n10 4 12\ndirect\n0.000000 0.121598 0.755709 Sr\n0.000000 0.878402 0.244291 Sr\n0.000000 0.378402 0.255709 Sr\n0.000000 0.621598 0.744291 Sr\n0.000000 0.368003 0.931403 Sr\n0.000000 0.631998 0.068597 Sr\n0.000000 0.131997 0.431403 Sr\n0.000000 0.868003 0.568597 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.787193 0.894883 Sn\n0.500000 0.212807 0.105117 Sn\n0.500000 0.287193 0.605117 Sn\n0.500000 0.712807 0.394883 Sn\n0.000000 0.129264 0.198197 As\n0.500000 0.075660 0.599157 As\n0.500000 0.924340 0.400843 As\n0.500000 0.424340 0.099157 As\n0.500000 0.575660 0.900843 As\n0.500000 0.168564 0.920135 As\n0.500000 0.831436 0.079865 As\n0.500000 0.331436 0.420135 As\n0.500000 0.668565 0.579865 As\n0.000000 0.370736 0.698197 As\n0.000000 0.629264 0.301803 As\n0.000000 0.870736 0.801803 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"As"
],
"chemical_system": "As-Sn-Sr",
"density": 4.9053681770994695,
"density_atomic": 0.03413455099937299,
"volume": 761.6915775595697,
"volume_molar": 17.642361137577637,
"formula_full": "Sr10 Sn4 As12",
"formula_reduced": "Sr5(SnAs3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.0518919576923074,
"spacegroup": 55
}
]
}