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=-nsites&page=200",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=198",
"results": [
{
"id": "jvasp-99132",
"created_at": "2022-09-04T14:36:17.014748Z",
"updated_at": "2022-09-04T14:36:17.014774Z",
"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Bi",
"S"
],
"chemical_system": "Bi-Rb-S-Si",
"density": 4.021775350007169,
"density_atomic": 0.037608751164552374,
"volume": 744.5075715885781,
"volume_molar": 16.012604974972124,
"formula_full": "Rb4 Si4 Bi4 S16",
"formula_reduced": "RbSiBiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6137032714285713,
"spacegroup": 14
},
{
"id": "jvasp-95318",
"created_at": "2022-09-04T14:36:32.756625Z",
"updated_at": "2022-09-04T14:36:32.756644Z",
"structure_string": "K4 As4 O4 F16\n1.0\n5.043691 0.000000 -0.152915\n0.000000 5.744298 0.000000\n0.100669 0.000000 13.611186\nK As O F\n4 4 4 16\ndirect\n-0.008861 0.868515 0.652381 K\n0.508861 0.368514 0.847619 K\n0.008861 0.131486 0.347619 K\n0.491139 0.631486 0.152381 K\n0.570899 0.377666 0.581548 As\n0.429101 0.622334 0.418452 As\n0.070899 0.122334 0.081548 As\n0.929101 0.877666 0.918452 As\n0.709081 0.608924 0.505294 O\n0.790920 0.108924 0.994706 O\n0.290919 0.391076 0.494706 O\n0.209081 0.891076 0.005294 O\n0.573362 0.412812 0.334727 F\n0.737949 0.147936 0.517685 F\n0.762051 0.647936 0.982315 F\n0.262051 0.852064 0.482315 F\n0.425530 0.155815 0.655684 F\n0.926638 0.912812 0.165273 F\n0.074470 0.655815 0.844316 F\n0.925530 0.344185 0.155684 F\n0.852658 0.383082 0.665045 F\n0.647342 0.883082 0.834955 F\n0.237949 0.352064 0.017685 F\n0.352658 0.116918 0.165045 F\n0.426638 0.587188 0.665273 F\n0.073362 0.087188 0.834727 F\n0.574470 0.844185 0.344316 F\n0.147342 0.616918 0.334955 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"As",
"O",
"F"
],
"chemical_system": "As-F-K-O",
"density": 3.469163402660807,
"density_atomic": 0.07098707084655416,
"volume": 394.4380246443028,
"volume_molar": 8.483433233944073,
"formula_full": "K4 As4 O4 F16",
"formula_reduced": "KAsOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.1929549114285718,
"spacegroup": 14
},
{
"id": "jvasp-47636",
"created_at": "2022-09-04T14:36:35.911877Z",
"updated_at": "2022-09-04T14:36:35.911902Z",
"structure_string": "Na12 Cu4 O12\n1.0\n9.199062 0.000000 0.000000\n0.000000 9.199062 0.000000\n0.000000 0.000000 4.456699\nNa Cu O\n12 4 12\ndirect\n0.373955 0.128340 0.500000 Na\n0.628340 0.126045 0.000000 Na\n0.148502 0.148502 0.000000 Na\n0.648502 0.351498 0.500000 Na\n0.128340 0.373955 0.500000 Na\n0.873955 0.371660 0.000000 Na\n0.126045 0.628340 0.000000 Na\n0.871660 0.626045 0.500000 Na\n0.351498 0.648502 0.500000 Na\n0.851498 0.851498 0.000000 Na\n0.371660 0.873955 0.000000 Na\n0.626045 0.871660 0.500000 Na\n0.110537 0.889462 0.500000 Cu\n0.610537 0.610537 0.000000 Cu\n0.389462 0.389462 0.000000 Cu\n0.889462 0.110537 0.500000 Cu\n0.095439 0.095439 0.500000 O\n0.688883 0.106924 0.500000 O\n0.393076 0.188883 0.000000 O\n0.893075 0.311117 0.500000 O\n0.188883 0.393076 0.000000 O\n0.595438 0.404561 0.000000 O\n0.404561 0.595438 0.000000 O\n0.811117 0.606924 0.000000 O\n0.106924 0.688883 0.500000 O\n0.606924 0.811117 0.000000 O\n0.311117 0.893075 0.500000 O\n0.904561 0.904561 0.500000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 3.179204022915058,
"density_atomic": 0.07424336303983013,
"volume": 377.1380882218191,
"volume_molar": 8.111352332961046,
"formula_full": "Na12 Cu4 O12",
"formula_reduced": "Na3CuO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5769450000000003,
"spacegroup": 136
},
{
"id": "jvasp-96923",
"created_at": "2022-09-04T14:36:13.077885Z",
"updated_at": "2022-09-04T14:36:13.077909Z",
"structure_string": "Rb8 Mn4 O16\n1.0\n6.016144 -0.000000 0.000000\n0.000000 7.988886 0.000000\n0.000000 0.000000 10.644667\nRb Mn O\n8 4 16\ndirect\n0.250000 0.482711 0.694164 Rb\n0.250000 0.982711 0.805836 Rb\n0.749999 0.017289 0.194164 Rb\n0.749999 0.517290 0.305836 Rb\n0.749999 0.834332 0.591135 Rb\n0.250000 0.165669 0.408865 Rb\n0.749999 0.334331 0.908865 Rb\n0.250000 0.665669 0.091135 Rb\n0.749999 0.764766 0.920735 Mn\n0.749999 0.264766 0.579265 Mn\n0.250000 0.235235 0.079265 Mn\n0.250000 0.735235 0.420735 Mn\n0.975000 0.688596 0.850803 O\n0.524999 0.688596 0.850803 O\n0.025000 0.311405 0.149197 O\n0.025000 0.811405 0.350803 O\n0.524999 0.188596 0.649198 O\n0.475000 0.311405 0.149197 O\n0.250000 0.528045 0.412169 O\n0.250000 0.798074 0.569849 O\n0.250000 0.028045 0.087831 O\n0.749999 0.971956 0.912170 O\n0.250000 0.298074 0.930151 O\n0.749999 0.701927 0.069849 O\n0.475000 0.811405 0.350803 O\n0.749999 0.201927 0.430151 O\n0.749999 0.471956 0.587831 O\n0.975000 0.188596 0.649198 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 3.763376754750756,
"density_atomic": 0.054729503060909575,
"volume": 511.607057144996,
"volume_molar": 11.003463256916179,
"formula_full": "Rb8 Mn4 O16",
"formula_reduced": "Rb2MnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6866473201970442,
"spacegroup": 62
},
{
"id": "jvasp-48530",
"created_at": "2022-09-04T14:36:17.217956Z",
"updated_at": "2022-09-04T14:36:17.217983Z",
"structure_string": "Li14 V2 O10 F2\n1.0\n5.498529 -0.014894 0.012804\n2.705614 4.794354 0.006311\n0.262444 0.077571 10.615456\nLi V O F\n14 2 10 2\ndirect\n0.362847 0.984192 0.756893 Li\n0.368118 0.026849 0.128300 Li\n0.612666 0.384244 0.128123 Li\n0.313163 0.345221 0.933908 Li\n0.345465 0.312874 0.409043 Li\n0.007574 0.349610 0.257984 Li\n0.268708 0.686378 0.266156 Li\n0.702554 0.001075 0.261071 Li\n0.706976 0.290544 0.768847 Li\n0.955231 0.727805 0.758427 Li\n0.668905 0.648877 0.908179 Li\n0.652811 0.669915 0.433139 Li\n0.394241 0.626764 0.630799 Li\n0.996356 0.384907 0.626605 Li\n0.002137 0.985353 0.996236 V\n0.988121 -0.001315 0.496890 V\n0.001372 0.030581 0.169278 O\n0.681815 0.298313 0.952083 O\n0.317048 -0.006576 0.948165 O\n0.357406 0.320191 0.220438 O\n0.987918 0.316405 0.447516 O\n0.302509 0.679986 0.452968 O\n0.679253 0.634684 0.719426 O\n0.697658 0.985674 0.438448 O\n0.032470 -0.000332 0.669668 O\n0.989929 0.694943 0.937053 O\n0.634885 0.681013 0.216892 F\n0.319493 0.355589 0.717221 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.35254679287453,
"density_atomic": 0.09990895197401141,
"volume": 280.2551667970998,
"volume_molar": 6.027628797033619,
"formula_full": "Li14 V2 O10 F2",
"formula_reduced": "Li7VO5F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 1.6968444273214287,
"spacegroup": 1
},
{
"id": "jvasp-63762",
"created_at": "2022-09-04T14:36:17.501124Z",
"updated_at": "2022-09-04T14:36:17.501151Z",
"structure_string": "Rb3 B12 H12 I1\n1.0\n4.827283 -5.143993 -0.001822\n4.827283 5.143993 -0.001822\n-0.651550 -0.000000 7.024159\nRb B H I\n3 12 12 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.121406 0.121406 0.841311 B\n0.121406 0.841310 0.121406 B\n0.841310 0.121406 0.121406 B\n0.878594 0.158689 0.878594 B\n0.233159 0.060309 0.060309 B\n0.158689 0.878594 0.878594 B\n0.939691 0.939691 0.766841 B\n0.939691 0.766840 0.939692 B\n0.766840 0.939691 0.939692 B\n0.060309 0.060309 0.233160 B\n0.060309 0.233159 0.060309 B\n0.878594 0.878594 0.158690 B\n0.208987 0.208987 0.729672 H\n0.208987 0.729672 0.208987 H\n0.729672 0.208987 0.208987 H\n0.791012 0.270328 0.791013 H\n0.102977 0.102977 0.398921 H\n0.270328 0.791012 0.791013 H\n0.102977 0.398921 0.102977 H\n0.398921 0.102977 0.102977 H\n0.897022 0.601079 0.897023 H\n0.601079 0.897022 0.897023 H\n0.791012 0.791012 0.270328 H\n0.897022 0.897022 0.601080 H\n0.500000 0.500000 0.500000 I\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"B",
"H",
"I"
],
"chemical_system": "B-H-I-Rb",
"density": 2.4998153642038434,
"density_atomic": 0.08026861657776321,
"volume": 348.82873523644145,
"volume_molar": 7.50248480259508,
"formula_full": "Rb3 B12 H12 I1",
"formula_reduced": "Rb3B12H12I",
"formula_anonymous": "AB3C12D12",
"energy_above_hull": 3.7171981169642856,
"spacegroup": 166
},
{
"id": "jvasp-29463",
"created_at": "2022-09-04T14:36:32.997818Z",
"updated_at": "2022-09-04T14:36:32.997848Z",
"structure_string": "Si6 Bi4 O18\n1.0\n6.844076 -0.000000 -0.000000\n-3.422038 5.927144 0.000000\n0.000000 0.000000 9.655470\nSi Bi O\n6 4 18\ndirect\n0.218235 0.280783 0.750000 Si\n0.719217 0.937451 0.750000 Si\n0.781765 0.719217 0.250000 Si\n0.937452 0.218235 0.250000 Si\n0.062548 0.781765 0.750000 Si\n0.280783 0.062548 0.250000 Si\n0.333333 0.666667 0.471291 Bi\n0.333333 0.666667 0.028709 Bi\n0.666667 0.333333 0.528709 Bi\n0.666667 0.333333 0.971291 Bi\n0.071460 0.656245 0.608817 O\n0.415215 0.071461 0.108817 O\n0.751769 0.946055 0.250000 O\n0.656246 0.584785 0.391183 O\n0.656246 0.584785 0.108817 O\n0.071460 0.656245 0.891183 O\n0.415215 0.071461 0.391183 O\n0.805715 0.751769 0.750000 O\n0.946056 0.194285 0.750000 O\n0.928540 0.343754 0.108817 O\n0.928540 0.343754 0.391183 O\n0.053944 0.805714 0.250000 O\n0.343754 0.415215 0.608817 O\n0.343754 0.415215 0.891183 O\n0.584785 0.928539 0.608817 O\n0.194285 0.248231 0.250000 O\n0.248231 0.053945 0.750000 O\n0.584785 0.928539 0.891183 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 5.479239998138944,
"density_atomic": 0.07148654544000962,
"volume": 391.6820966470838,
"volume_molar": 8.424159711359511,
"formula_full": "Si6 Bi4 O18",
"formula_reduced": "Si3Bi2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.73292685,
"spacegroup": 176
},
{
"id": "jvasp-98018",
"created_at": "2022-09-04T14:36:22.049994Z",
"updated_at": "2022-09-04T14:36:22.050016Z",
"structure_string": "Li8 Zn4 I16\n1.0\n7.017376 -0.000000 0.000000\n0.000000 8.521139 0.000000\n0.000000 0.000000 14.748634\nLi Zn I\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.997930 0.750000 0.736990 Li\n0.497930 0.250000 0.763010 Li\n0.002070 0.250000 0.263010 Li\n0.502071 0.750000 0.236990 Li\n0.903926 0.750000 0.414508 Zn\n0.403926 0.250000 0.085492 Zn\n0.096074 0.250000 0.585491 Zn\n0.596074 0.750000 0.914508 Zn\n0.746488 0.996133 0.332745 I\n0.246488 0.003867 0.167255 I\n0.746488 0.503867 0.332745 I\n0.246488 0.496133 0.167255 I\n0.253512 0.003867 0.667255 I\n0.753513 0.996133 0.832745 I\n0.752143 0.750000 0.078774 I\n0.723925 0.250000 0.588255 I\n0.247857 0.250000 0.921226 I\n0.747858 0.750000 0.578774 I\n0.276075 0.750000 0.411745 I\n0.776076 0.250000 0.088255 I\n0.753513 0.503867 0.832745 I\n0.223925 0.750000 0.911745 I\n0.252143 0.250000 0.421226 I\n0.253512 0.496133 0.667255 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Zn",
"I"
],
"chemical_system": "I-Li-Zn",
"density": 4.420338968328657,
"density_atomic": 0.03174927671629596,
"volume": 881.9098542055427,
"volume_molar": 18.96780457020306,
"formula_full": "Li8 Zn4 I16",
"formula_reduced": "Li2ZnI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-99191",
"created_at": "2022-09-04T14:36:35.661021Z",
"updated_at": "2022-09-04T14:36:35.661048Z",
"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"P",
"Pb",
"S"
],
"chemical_system": "K-P-Pb-S",
"density": 3.701770794227264,
"density_atomic": 0.03847984121723573,
"volume": 727.653730220133,
"volume_molar": 15.65011852830252,
"formula_full": "K4 P4 Pb4 S16",
"formula_reduced": "KPPbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.50277776,
"spacegroup": 62
},
{
"id": "jvasp-99041",
"created_at": "2022-09-04T14:36:33.091026Z",
"updated_at": "2022-09-04T14:36:33.091058Z",
"structure_string": "Rb12 Bi4 O12\n1.0\n8.756028 0.000000 0.000000\n0.000000 8.756028 0.000000\n-0.000000 -0.000000 8.756028\nRb Bi O\n12 4 12\ndirect\n0.211154 0.711154 0.788846 Rb\n0.293198 0.706802 0.206802 Rb\n0.206802 0.293198 0.706802 Rb\n0.029331 0.029331 0.029331 Rb\n0.470669 0.970669 0.529331 Rb\n0.529331 0.470669 0.970669 Rb\n0.970669 0.529331 0.470669 Rb\n0.793198 0.793198 0.793198 Rb\n0.706802 0.206802 0.293198 Rb\n0.711154 0.788846 0.211154 Rb\n0.288846 0.288846 0.288846 Rb\n0.788846 0.211154 0.711154 Rb\n0.020503 0.979498 0.479498 Bi\n0.479498 0.020503 0.979498 Bi\n0.520503 0.520503 0.520503 Bi\n0.979498 0.479498 0.020503 Bi\n0.785075 0.931728 0.495001 O\n0.285075 0.568272 0.504999 O\n0.068272 0.995001 0.714925 O\n0.714925 0.068272 0.995001 O\n0.995001 0.714925 0.068272 O\n0.504999 0.285075 0.568272 O\n0.214925 0.431728 0.004999 O\n0.004999 0.214925 0.431728 O\n0.495001 0.785075 0.931728 O\n0.568272 0.504999 0.285075 O\n0.931728 0.495001 0.785075 O\n0.431728 0.004999 0.214925 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"O"
],
"chemical_system": "Bi-O-Rb",
"density": 5.079585809687214,
"density_atomic": 0.04170965583387099,
"volume": 671.3073853096182,
"volume_molar": 14.438241312721702,
"formula_full": "Rb12 Bi4 O12",
"formula_reduced": "Rb3BiO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6522921142857144,
"spacegroup": 198
},
{
"id": "jvasp-96812",
"created_at": "2022-09-04T14:36:13.462854Z",
"updated_at": "2022-09-04T14:36:13.462881Z",
"structure_string": "Si2 H16 C4 N2 Cl2 O2\n1.0\n5.465383 0.041546 -1.201994\n-0.784684 6.181577 -1.226413\n-0.032327 0.025497 8.628556\nSi H C N Cl O\n2 16 4 2 2 2\ndirect\n0.941045 0.296699 0.677645 Si\n0.058955 0.703302 0.322357 Si\n0.183473 0.848419 0.480203 H\n0.777419 0.434051 0.986088 H\n0.538102 0.091743 0.254275 H\n0.715013 0.842650 0.657943 H\n0.284987 0.157352 0.342058 H\n0.792495 0.192534 0.068110 H\n0.222581 0.565950 0.013913 H\n0.152344 0.494332 0.275189 H\n0.207505 0.807468 0.931891 H\n0.265226 0.164310 0.131485 H\n0.506674 0.246989 0.947467 H\n0.816527 0.151582 0.519799 H\n0.734774 0.835691 0.868516 H\n0.847656 0.505670 0.724813 H\n0.461898 0.908259 0.745727 H\n0.493326 0.753012 0.052534 H\n0.291812 0.737810 0.035735 C\n0.708188 0.262192 0.964267 C\n0.335715 0.081396 0.230456 C\n0.664285 0.918605 0.769545 C\n0.239560 0.852982 0.185695 N\n0.760440 0.147019 0.814306 N\n0.288797 0.404912 0.636207 Cl\n0.711203 0.595090 0.363794 Cl\n0.036295 0.168885 0.832508 O\n0.963705 0.831116 0.167494 O\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Si",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-O-Si",
"density": 1.4300749956213086,
"density_atomic": 0.09597233272522009,
"volume": 291.7507494599224,
"volume_molar": 6.274871714582667,
"formula_full": "Si2 H16 C4 N2 Cl2 O2",
"formula_reduced": "SiH8C2NClO",
"formula_anonymous": "ABCDE2F8",
"energy_above_hull": 3.814080672678572,
"spacegroup": 2
},
{
"id": "jvasp-51021",
"created_at": "2022-09-04T14:36:35.643356Z",
"updated_at": "2022-09-04T14:36:35.643384Z",
"structure_string": "Ga4 H12 O12\n1.0\n-3.749823 3.782483 3.749823\n3.782483 -3.749823 3.749823\n3.717163 3.717163 -3.717163\nGa H O\n4 12 12\ndirect\n0.500000 -0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.958478 0.698487 0.657977 H\n0.180818 0.545889 0.728335 H\n0.041522 0.301512 0.342022 H\n0.545889 0.365071 0.817553 H\n0.698487 0.740009 0.040511 H\n0.819181 0.454110 0.271664 H\n0.454110 0.634928 0.182447 H\n0.365071 0.819181 0.547517 H\n0.740009 0.041522 0.699499 H\n0.259990 0.958478 0.300501 H\n0.634928 0.180818 0.452482 H\n0.301512 0.259990 0.959489 H\n0.826189 0.322444 0.142667 O\n0.176245 0.310882 0.485280 O\n0.677556 0.503746 0.820222 O\n0.689119 0.865364 0.174399 O\n0.310882 0.134635 0.825600 O\n0.865364 0.176245 0.690964 O\n0.503746 0.826189 0.683523 O\n0.134635 0.823754 0.309035 O\n0.496254 0.173810 0.316477 O\n0.173810 0.677556 0.857333 O\n0.322444 0.496254 0.179777 O\n0.823754 0.689119 0.514719 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ga",
"H",
"O"
],
"chemical_system": "Ga-H-O",
"density": 3.8028640604159536,
"density_atomic": 0.1327671142844564,
"volume": 210.8955982880625,
"volume_molar": 4.535867780554026,
"formula_full": "Ga4 H12 O12",
"formula_reduced": "Ga(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.167544689285714,
"spacegroup": 148
}
]
}