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=volume&page=4622",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4620",
"results": [
{
"id": "jvasp-52462",
"created_at": "2022-09-04T14:37:44.044014Z",
"updated_at": "2022-09-04T14:37:44.044038Z",
"structure_string": "Ba4 Sr2 I12\n1.0\n7.879753 -0.000000 0.000000\n0.000000 7.879753 0.000000\n0.000000 0.000000 15.432568\nBa Sr I\n4 2 12\ndirect\n0.000000 0.000000 0.000882 Ba\n0.000000 0.000000 0.334112 Ba\n0.500000 0.500000 0.500882 Ba\n0.500000 0.500000 0.834112 Ba\n0.000000 0.000000 0.667490 Sr\n0.500000 0.500000 0.167490 Sr\n0.806347 0.193653 0.508042 I\n0.693653 0.693653 0.008042 I\n0.693648 0.693648 0.326935 I\n0.706006 0.706006 0.667504 I\n0.293994 0.293994 0.667504 I\n0.193653 0.806347 0.508042 I\n0.306347 0.306347 0.008042 I\n0.806351 0.193648 0.826935 I\n0.193648 0.806351 0.826935 I\n0.206006 0.793994 0.167504 I\n0.306352 0.306352 0.326935 I\n0.793994 0.206006 0.167504 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 3.8946315990619818,
"density_atomic": 0.01878490907873531,
"volume": 958.2159766946206,
"volume_molar": 32.05839716742159,
"formula_full": "Ba4 Sr2 I12",
"formula_reduced": "Ba2SrI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0106266666666666,
"spacegroup": 136
},
{
"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-54593",
"created_at": "2022-09-04T14:38:36.788773Z",
"updated_at": "2022-09-04T14:38:36.788800Z",
"structure_string": "K8 Rb4 Bi4 Se12\n1.0\n9.863491 0.000000 0.000000\n0.000000 9.863491 0.000000\n-0.000000 -0.000000 9.863491\nK Rb Bi Se\n8 4 4 12\ndirect\n0.178953 0.678953 0.821047 K\n0.678953 0.821047 0.178953 K\n0.821047 0.178953 0.678953 K\n0.321047 0.321047 0.321047 K\n0.685693 0.185693 0.314307 K\n0.185693 0.314307 0.685693 K\n0.314307 0.685693 0.185693 K\n0.814307 0.814307 0.814307 K\n0.928810 0.428810 0.071190 Rb\n0.428810 0.071190 0.928810 Rb\n0.071190 0.928810 0.428810 Rb\n0.571190 0.571190 0.571190 Rb\n0.035814 0.035814 0.035814 Bi\n0.535814 0.464186 0.964186 Bi\n0.964186 0.535814 0.464186 Bi\n0.464186 0.964186 0.535814 Bi\n0.001655 0.773066 0.108013 Se\n0.891987 0.501655 0.726934 Se\n0.273066 0.391987 0.998345 Se\n0.501655 0.726934 0.891987 Se\n0.391987 0.998345 0.273066 Se\n0.773066 0.108013 0.001655 Se\n0.998345 0.273066 0.391987 Se\n0.108013 0.001655 0.773066 Se\n0.726934 0.891987 0.501655 Se\n0.498345 0.226934 0.608013 Se\n0.608013 0.498345 0.226934 Se\n0.226934 0.608013 0.498345 Se\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Rb",
"Bi",
"Se"
],
"chemical_system": "Bi-K-Rb-Se",
"density": 4.218990150711366,
"density_atomic": 0.029178709041850943,
"volume": 959.6037974072011,
"volume_molar": 20.638818363631028,
"formula_full": "K8 Rb4 Bi4 Se12",
"formula_reduced": "K2RbBiSe3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.2234329142857141,
"spacegroup": 198
},
{
"id": "jvasp-42702",
"created_at": "2022-09-04T14:37:11.851590Z",
"updated_at": "2022-09-04T14:37:11.851614Z",
"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.875978 -1.396382\n15.674496 0.000000 0.000000\n0.000000 0.883446 -7.935911\nSr Ca I\n4 4 16\ndirect\n0.396652 0.860432 0.150095 Sr\n0.396652 0.639569 0.650094 Sr\n0.603349 0.360432 0.349905 Sr\n0.603349 0.139568 0.849905 Sr\n0.101429 0.137375 0.357174 Ca\n0.101429 0.362625 0.857174 Ca\n0.898572 0.637375 0.142826 Ca\n0.898572 0.862625 0.642825 Ca\n0.656841 0.716480 0.888118 I\n0.863293 0.216622 0.095756 I\n0.758346 0.028861 0.486580 I\n0.758472 0.967571 -0.013841 I\n0.656841 0.783521 0.388118 I\n0.758346 0.471139 -0.013420 I\n0.241654 0.528861 0.013419 I\n0.136708 0.783378 0.904243 I\n0.241528 0.032430 0.013841 I\n0.241654 0.971139 0.513419 I\n0.758472 0.532430 0.486159 I\n0.343160 0.283521 0.111882 I\n0.241529 0.467571 0.513841 I\n0.136707 0.716622 0.404243 I\n0.343160 0.216479 0.611882 I\n0.863293 0.283378 0.595756 I\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.394013203264634,
"density_atomic": 0.02499043406927206,
"volume": 960.3674723485542,
"volume_molar": 24.097783749201675,
"formula_full": "Sr4 Ca4 I16",
"formula_reduced": "SrCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0074383333333332,
"spacegroup": 14
},
{
"id": "jvasp-79719",
"created_at": "2022-09-04T14:37:16.470811Z",
"updated_at": "2022-09-04T14:37:16.470821Z",
"structure_string": "Y2 Zn1 Cu1\n1.0\n-9.683235 0.005502 -5.581628\n-9.623128 0.006685 5.477336\n-6.441254 9.006381 -0.033829\nY Zn Cu\n2 1 1\ndirect\n0.760618 0.000016 0.000016 Y\n0.239382 0.999984 0.999984 Y\n0.500000 -0.000000 -0.000000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Cu"
],
"chemical_system": "Cu-Y-Zn",
"density": 0.5300672185438203,
"density_atomic": 0.004162302366502888,
"volume": 961.0065890913994,
"volume_molar": 144.6829237698972,
"formula_full": "Y2 Zn1 Cu1",
"formula_reduced": "Y2ZnCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5224829375,
"spacegroup": 71
},
{
"id": "jvasp-89025",
"created_at": "2022-09-04T14:35:41.382962Z",
"updated_at": "2022-09-04T14:35:41.382978Z",
"structure_string": "Na8 Si8 Se20\n1.0\n9.407271 0.017164 -0.000000\n-0.142015 9.406214 -0.000000\n-0.000000 -0.000000 10.910855\nNa Si Se\n8 8 20\ndirect\n0.073313 0.417632 0.750000 Na\n0.926687 0.582368 0.250000 Na\n0.417632 0.073313 0.750000 Na\n0.582369 0.926686 0.250000 Na\n0.149015 0.850984 0.500000 Na\n0.850985 0.149015 0.000000 Na\n0.850985 0.149015 0.500000 Na\n0.149015 0.850984 0.000000 Na\n0.254294 0.254294 0.080618 Si\n0.745706 0.745705 0.580618 Si\n0.254294 0.254294 0.419382 Si\n0.745706 0.745705 0.919381 Si\n0.410366 0.682677 0.750000 Si\n0.317323 0.589634 0.250000 Si\n0.682678 0.410365 0.750000 Si\n0.589634 0.317322 0.250000 Si\n0.208594 0.496628 0.075354 Se\n0.496628 0.208594 0.075354 Se\n0.503372 0.791405 0.575354 Se\n0.208594 0.496628 0.424646 Se\n0.791406 0.503371 0.924645 Se\n0.503372 0.791405 0.924645 Se\n0.496628 0.208594 0.424646 Se\n0.791406 0.503371 0.575354 Se\n0.150254 0.150254 0.250000 Se\n0.178539 0.725607 0.750000 Se\n0.155665 0.155665 0.914719 Se\n0.844335 0.844334 0.414719 Se\n0.155665 0.155665 0.585280 Se\n0.844335 0.844334 0.085280 Se\n0.725607 0.178538 0.750000 Se\n0.274393 0.821461 0.250000 Se\n0.440960 0.440960 0.750000 Se\n0.821461 0.274392 0.250000 Se\n0.849746 0.849745 0.750000 Se\n0.559040 0.559039 0.250000 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Si",
"Se"
],
"chemical_system": "Na-Se-Si",
"density": 3.4187944993454553,
"density_atomic": 0.037286639419309334,
"volume": 965.4932855482001,
"volume_molar": 16.150934634461485,
"formula_full": "Na8 Si8 Se20",
"formula_reduced": "Na2Si2Se5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.4708146703703702,
"spacegroup": 63
},
{
"id": "jvasp-98092",
"created_at": "2022-09-04T14:35:53.694121Z",
"updated_at": "2022-09-04T14:35:53.694149Z",
"structure_string": "Tl12 Si4 Te12\n1.0\n9.490796 0.022732 1.092695\n1.833202 9.612872 0.154233\n-0.002627 0.011014 10.592237\nTl Si Te\n12 4 12\ndirect\n0.098169 0.962092 0.646418 Tl\n0.486607 0.618674 0.645443 Tl\n0.196220 0.150570 0.158030 Tl\n0.641738 0.220535 0.916234 Tl\n0.803780 0.849430 0.841970 Tl\n0.683360 0.712386 0.239001 Tl\n0.098132 0.568549 0.344504 Tl\n0.358262 0.779465 0.083766 Tl\n0.316640 0.287613 0.760999 Tl\n0.901868 0.431450 0.655496 Tl\n0.513394 0.381325 0.354558 Tl\n0.901831 0.037907 0.353583 Tl\n0.574861 0.982049 0.582260 Si\n0.425139 0.017950 0.417740 Si\n0.087786 0.570804 0.985199 Si\n0.912214 0.429195 0.014802 Si\n0.311877 0.442685 0.077306 Te\n0.318756 0.798070 0.406388 Te\n0.127351 0.619549 0.748180 Te\n0.221633 0.225939 0.472997 Te\n0.002850 0.201733 0.894829 Te\n0.778367 0.774060 0.527004 Te\n0.681244 0.201929 0.593613 Te\n0.580309 0.067418 0.216730 Te\n0.688123 0.557315 0.922694 Te\n0.872649 0.380450 0.251820 Te\n0.419691 0.932582 0.783270 Te\n0.997150 0.798266 0.105171 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tl",
"Si",
"Te"
],
"chemical_system": "Si-Te-Tl",
"density": 7.041479412923173,
"density_atomic": 0.028986640636196548,
"volume": 965.9622289943976,
"volume_molar": 20.77557325659863,
"formula_full": "Tl12 Si4 Te12",
"formula_reduced": "Tl3SiTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6044370999999997,
"spacegroup": 2
},
{
"id": "jvasp-81973",
"created_at": "2022-09-04T14:37:10.367789Z",
"updated_at": "2022-09-04T14:37:10.367806Z",
"structure_string": "Li1 Ag2 Sb1\n1.0\n-9.237096 0.000000 -5.333040\n-9.519990 0.000600 5.823026\n-6.252644 9.242048 0.163818\nLi Ag Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.752772 0.000000 -0.000000 Ag\n0.247228 0.000000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Sb"
],
"chemical_system": "Ag-Li-Sb",
"density": 0.5918912367874163,
"density_atomic": 0.004139448670528937,
"volume": 966.312260006568,
"volume_molar": 145.48171119683175,
"formula_full": "Li1 Ag2 Sb1",
"formula_reduced": "LiAg2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.783395155,
"spacegroup": 71
},
{
"id": "jvasp-77336",
"created_at": "2022-09-04T14:38:04.647853Z",
"updated_at": "2022-09-04T14:38:04.647881Z",
"structure_string": "Li1 Ag2 Sb1\n1.0\n-9.237096 0.000000 -5.333040\n-9.519990 0.000600 5.823026\n-6.252644 9.242048 0.163818\nLi Ag Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.752772 0.000000 -0.000000 Ag\n0.247228 0.000000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Sb"
],
"chemical_system": "Ag-Li-Sb",
"density": 0.5918912367874163,
"density_atomic": 0.004139448670528937,
"volume": 966.312260006568,
"volume_molar": 145.48171119683175,
"formula_full": "Li1 Ag2 Sb1",
"formula_reduced": "LiAg2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.783395155,
"spacegroup": 71
},
{
"id": "jvasp-21778",
"created_at": "2022-09-04T14:37:48.709437Z",
"updated_at": "2022-09-04T14:37:48.709450Z",
"structure_string": "Tl8 Ge8 S20\n1.0\n8.617555 -0.011709 -1.829353\n-2.247122 10.477371 0.004180\n0.012512 0.016497 10.715617\nTl Ge S\n8 8 20\ndirect\n0.104477 0.460080 0.201603 Tl\n0.893086 0.926410 0.796328 Tl\n0.606915 0.203672 0.073591 Tl\n0.106915 0.073591 0.203673 Tl\n0.395523 0.798397 0.539920 Tl\n0.604478 0.201603 0.460081 Tl\n0.895523 0.539920 0.798397 Tl\n0.393085 0.796328 0.926410 Tl\n0.588240 0.520459 0.265405 Ge\n0.411760 0.479541 0.734596 Ge\n0.088240 0.265404 0.520459 Ge\n0.112173 0.270023 0.867084 Ge\n0.387827 0.132916 0.729977 Ge\n0.887828 0.729977 0.132916 Ge\n0.612173 0.867084 0.270023 Ge\n0.911761 0.734596 0.479542 Ge\n0.272691 0.466205 0.894054 S\n0.227309 0.105946 0.533796 S\n0.250000 0.462062 0.537939 S\n0.557202 0.326444 0.759548 S\n0.750000 0.537939 0.462062 S\n0.250000 0.109355 0.890646 S\n0.750001 0.890645 0.109355 S\n0.543193 0.999134 0.757051 S\n0.956808 0.242949 0.000866 S\n0.456808 0.000866 0.242950 S\n0.727310 0.533795 0.105946 S\n0.043192 0.757051 0.999134 S\n0.573441 0.665329 0.760335 S\n0.073441 0.760334 0.665329 S\n0.426559 0.334671 0.239666 S\n0.057202 0.759548 0.326444 S\n0.442799 0.673556 0.240452 S\n0.942799 0.240452 0.673557 S\n0.926560 0.239666 0.334672 S\n0.772691 0.894054 0.466205 S\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 4.904202990761077,
"density_atomic": 0.03720811502383941,
"volume": 967.5308726855588,
"volume_molar": 16.185019735994654,
"formula_full": "Tl8 Ge8 S20",
"formula_reduced": "Tl2Ge2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.237719677777778,
"spacegroup": 15
},
{
"id": "jvasp-4397",
"created_at": "2022-09-04T14:36:47.577421Z",
"updated_at": "2022-09-04T14:36:47.577456Z",
"structure_string": "P16 Se20\n1.0\n6.676504 0.000000 0.000000\n0.000000 11.210675 0.000000\n0.000000 0.000000 12.927410\nP Se\n16 20\ndirect\n0.492718 0.463584 0.441908 P\n0.962456 0.985529 0.326325 P\n0.037544 0.485529 0.673675 P\n0.537543 0.985529 0.826325 P\n0.901179 0.152415 0.098303 P\n0.098821 0.652415 0.901697 P\n0.598820 0.152415 0.598303 P\n0.401179 0.652415 0.401697 P\n0.462456 0.485529 0.173675 P\n0.689090 0.517430 0.891611 P\n0.189090 0.017430 0.608389 P\n0.810909 0.517430 0.391611 P\n0.992717 0.963584 0.058092 P\n0.007282 0.463584 0.941908 P\n0.507282 0.963584 0.558092 P\n0.310909 0.017430 0.108389 P\n0.173598 0.664747 0.728286 Se\n0.823105 0.244760 0.508794 Se\n0.176894 0.744760 0.491206 Se\n0.224330 0.215289 0.066996 Se\n0.775670 0.715290 0.933004 Se\n0.275670 0.215289 0.566996 Se\n0.724329 0.715290 0.433004 Se\n0.826401 0.164747 0.271714 Se\n0.673598 0.164747 0.771714 Se\n0.639488 0.860781 0.691612 Se\n0.298664 -0.000733 0.286363 Se\n0.701336 0.499268 0.713637 Se\n0.201336 -0.000733 0.786363 Se\n0.798663 0.499268 0.213637 Se\n0.860511 0.860781 0.191612 Se\n0.139488 0.360781 0.808388 Se\n0.323105 0.744760 0.991206 Se\n0.360511 0.360781 0.308388 Se\n0.326401 0.664747 0.228286 Se\n0.676894 0.244760 0.008794 Se\n",
"nsites": 36,
"nelements": 2,
"elements": [
"P",
"Se"
],
"chemical_system": "P-Se",
"density": 3.5606459465697013,
"density_atomic": 0.037205753282531236,
"volume": 967.5922894673024,
"volume_molar": 16.186047126285445,
"formula_full": "P16 Se20",
"formula_reduced": "P4Se5",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.4770720925925924,
"spacegroup": 33
},
{
"id": "jvasp-60092",
"created_at": "2022-09-04T14:38:36.037451Z",
"updated_at": "2022-09-04T14:38:36.037472Z",
"structure_string": "Zn12 Si12 Bi8 O48\n1.0\n10.177866 -0.000000 -3.598420\n-5.088933 8.814291 -3.598420\n0.000000 0.000000 10.795257\nZn Si Bi O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.250000 0.875000 0.625000 Zn\n0.875000 0.750000 0.625000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.250000 0.375000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n-0.000000 -0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.974902 0.708876 0.106823 O\n0.868079 0.393177 0.102053 O\n0.766026 0.397947 0.791124 O\n0.766026 0.868078 0.974902 O\n0.397947 0.791124 0.766026 O\n0.393177 0.791124 0.525099 O\n0.791124 0.766026 0.397947 O\n0.733975 0.708876 0.102053 O\n0.708876 0.106823 0.974902 O\n0.631922 0.733974 0.525099 O\n0.102053 0.868078 0.393177 O\n0.733975 0.525098 0.631922 O\n0.393177 0.102053 0.868079 O\n0.106823 0.974902 0.708876 O\n0.631922 0.397947 0.106823 O\n0.525099 0.393177 0.791124 O\n0.868079 0.974902 0.766026 O\n0.397947 0.106823 0.631922 O\n0.791124 0.525098 0.393177 O\n0.974902 0.766026 0.868079 O\n0.102053 0.733974 0.708876 O\n0.525099 0.631921 0.733975 O\n0.266026 0.291124 0.897947 O\n0.208876 0.233974 0.602053 O\n0.368079 0.266026 0.474902 O\n0.266026 0.474902 0.368079 O\n0.025098 0.291124 0.893177 O\n0.131922 0.606823 0.897947 O\n0.233975 0.602053 0.208876 O\n0.233975 0.131921 0.025098 O\n0.602053 0.208876 0.233975 O\n0.606823 0.208876 0.474902 O\n0.708876 0.102053 0.733975 O\n0.893177 0.368078 0.602053 O\n0.291124 0.897947 0.266026 O\n0.897947 0.266026 0.291124 O\n0.025098 0.233974 0.131922 O\n0.208876 0.474902 0.606823 O\n0.602053 0.893177 0.368079 O\n0.131922 0.025098 0.233975 O\n0.474902 0.606823 0.208876 O\n0.368079 0.602053 0.893177 O\n0.893177 0.025098 0.291124 O\n0.606824 0.897947 0.131922 O\n0.106823 0.631921 0.397947 O\n0.897947 0.131921 0.606823 O\n0.291124 0.893177 0.025098 O\n0.474902 0.368078 0.266026 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si-Zn",
"density": 6.107102880883915,
"density_atomic": 0.08260624629677735,
"volume": 968.4497672559294,
"volume_molar": 7.290176021755557,
"formula_full": "Zn12 Si12 Bi8 O48",
"formula_reduced": "Zn3Si3(BiO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.14231438,
"spacegroup": 230
}
]
}