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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10242",
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"results": [
{
"id": "mp-1209260",
"created_at": "2022-09-04T14:43:13.668472Z",
"structure_string": "Rb4 Tb4 P8 O28\n1.0\n-7.621926 0.000000 2.079263\n0.039716 0.000000 -8.856638\n0.000000 -11.135928 0.000000\nRb Tb P O\n4 4 8 28\ndirect\n0.818466 0.943542 0.317981 Rb\n0.181534 0.056458 0.682019 Rb\n0.181534 0.556458 0.817981 Rb\n0.818466 0.443542 0.182019 Rb\n0.761977 0.742530 0.900685 Tb\n0.238023 0.257470 0.099315 Tb\n0.238023 0.757470 0.400685 Tb\n0.761977 0.242530 0.599315 Tb\n0.566760 0.808222 0.633164 P\n0.433240 0.191778 0.366836 P\n0.433240 0.691778 0.133164 P\n0.566760 0.308222 0.866836 P\n0.867546 0.676953 0.598200 P\n0.132454 0.323047 0.401800 P\n0.132454 0.823047 0.098200 P\n0.867546 0.176953 0.901800 P\n0.385550 0.765670 0.574322 O\n0.614450 0.234330 0.425678 O\n0.614450 0.734330 0.074322 O\n0.385550 0.265670 0.925678 O\n0.918640 0.741506 0.725172 O\n0.081360 0.258494 0.274828 O\n0.081360 0.758494 0.225172 O\n0.918640 0.241506 0.774828 O\n0.552520 0.761099 0.765841 O\n0.447480 0.238901 0.234159 O\n0.447480 0.738901 0.265841 O\n0.552520 0.261099 0.734159 O\n0.670723 0.977404 0.608293 O\n0.329277 0.022596 0.391707 O\n0.329277 0.522596 0.108293 O\n0.670723 0.477404 0.891707 O\n0.849703 0.002111 0.909985 O\n0.150297 0.997889 0.090015 O\n0.150297 0.497889 0.409985 O\n0.849703 0.502111 0.590015 O\n0.673833 0.698037 0.565343 O\n0.326167 0.301963 0.434657 O\n0.326167 0.801963 0.065343 O\n0.673833 0.198037 0.934657 O\n0.008342 0.726886 0.003212 O\n0.991658 0.273114 0.996788 O\n0.991658 0.773114 0.503212 O\n0.008342 0.226886 0.496788 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Rb",
"Tb",
"P",
"O"
],
"chemical_system": "O-P-Rb-Tb",
"density": 3.7008918323477764,
"density_atomic": 0.0586035936125381,
"volume": 750.8071994852259,
"volume_molar": 10.27606054300325,
"formula_full": "Rb4 Tb4 P8 O28",
"formula_reduced": "RbTbP2O7",
"formula_anonymous": "ABC2D7",
"energy": -342.48028027,
"energy_per_atom": -7.78364273340909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -323.24428027,
"band_gap": 4.9608,
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"is_magnetic": false,
"total_magnetization": 0.0029647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.885000Z",
"spacegroup": 14
},
{
"id": "mp-1210876",
"created_at": "2022-09-04T14:41:51.737918Z",
"structure_string": "Rb4 Tb4 S8 O48\n1.0\n-6.254953 0.000000 0.554336\n-0.188389 0.000000 -8.912226\n0.000000 -19.260757 0.000000\nRb Tb S O\n4 4 8 48\ndirect\n0.842263 0.863966 0.713264 Rb\n0.157737 0.136034 0.286736 Rb\n0.157737 0.636034 0.213264 Rb\n0.842263 0.363966 0.786736 Rb\n0.370525 0.726837 0.869792 Tb\n0.629475 0.273163 0.130208 Tb\n0.629475 0.773163 0.369792 Tb\n0.370525 0.226837 0.630208 Tb\n0.370017 0.591346 0.722485 S\n0.629983 0.408654 0.277515 S\n0.629983 0.908654 0.222485 S\n0.370017 0.091346 0.777515 S\n0.806650 0.740714 0.933184 S\n0.193350 0.259286 0.066816 S\n0.193350 0.759286 0.433184 S\n0.806650 0.240714 0.566816 S\n0.193865 0.985713 0.628570 O\n0.806135 0.014287 0.371430 O\n0.806135 0.514287 0.128570 O\n0.193865 0.485713 0.871430 O\n0.648800 0.607555 0.924239 O\n0.351200 0.392445 0.075761 O\n0.351200 0.892445 0.424239 O\n0.648800 0.107555 0.575761 O\n0.825902 0.877683 0.266147 O\n0.174098 0.122317 0.733853 O\n0.174098 0.622317 0.766147 O\n0.825902 0.377683 0.233853 O\n0.429582 0.957216 0.958146 O\n0.570418 0.042784 0.041854 O\n0.570418 0.542784 0.458146 O\n0.429582 0.457216 0.541854 O\n0.773956 0.706528 0.571702 O\n0.226044 0.293472 0.428298 O\n0.226044 0.793472 0.071702 O\n0.773956 0.206528 0.928298 O\n0.389219 0.693512 0.664059 O\n0.610781 0.306488 0.335941 O\n0.610781 0.806488 0.164059 O\n0.389219 0.193512 0.835941 O\n0.708220 0.862911 0.889617 O\n0.291780 0.137089 0.110383 O\n0.291780 0.637089 0.389617 O\n0.708220 0.362911 0.610383 O\n0.351053 0.930438 0.798264 O\n0.648947 0.069562 0.201736 O\n0.648947 0.569562 0.298264 O\n0.351053 0.430438 0.701736 O\n0.551954 0.616836 0.773578 O\n0.448046 0.383164 0.226422 O\n0.448046 0.883164 0.273578 O\n0.551954 0.116836 0.726422 O\n0.844191 0.783010 0.004183 O\n0.155809 0.216990 0.995817 O\n0.155809 0.716990 0.504183 O\n0.844191 0.283010 0.495817 O\n0.712868 0.800392 0.530661 O\n0.287132 0.199608 0.469339 O\n0.287132 0.699608 0.030661 O\n0.712868 0.300392 0.969339 O\n0.011933 0.711023 0.895669 O\n0.988067 0.288977 0.104331 O\n0.988067 0.788977 0.395669 O\n0.011933 0.211023 0.604331 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Tb",
"S",
"O"
],
"chemical_system": "O-Rb-S-Tb",
"density": 3.090513131957476,
"density_atomic": 0.05949542301765406,
"volume": 1075.7130003262487,
"volume_molar": 10.122023602072806,
"formula_full": "Rb4 Tb4 S8 O48",
"formula_reduced": "RbTb(SO6)2",
"formula_anonymous": "ABC2D12",
"energy": -377.42682266,
"energy_per_atom": -5.8972941040625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -369.69882266,
"band_gap": 0.3055,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 24.0004355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.806000Z",
"spacegroup": 14
},
{
"id": "mp-1209445",
"created_at": "2022-09-04T14:42:14.577126Z",
"structure_string": "Rb4 Tb4 S8 O36\n1.0\n0.000000 8.601285 0.000000\n9.332528 0.000000 -5.353120\n-8.939022 0.000000 -5.024875\nRb Tb S O\n4 4 8 36\ndirect\n0.333395 0.680852 0.959300 Rb\n0.666605 0.319148 0.040700 Rb\n0.833395 0.819148 0.540700 Rb\n0.166605 0.180852 0.459300 Rb\n0.370755 0.972226 0.719799 Tb\n0.629245 0.027774 0.280201 Tb\n0.870755 0.527774 0.780201 Tb\n0.129245 0.472226 0.219799 Tb\n0.131913 0.313797 0.874867 S\n0.868087 0.686203 0.125133 S\n0.631913 0.186203 0.625133 S\n0.368087 0.813797 0.374867 S\n0.195487 0.613039 0.598262 S\n0.804513 0.386961 0.401738 S\n0.695487 0.886961 0.901738 S\n0.304513 0.113039 0.098262 S\n0.792428 0.019622 0.978973 O\n0.207572 0.980378 0.021027 O\n0.292428 0.480378 0.521027 O\n0.707572 0.519622 0.478973 O\n0.203497 0.173191 0.764474 O\n0.796503 0.826809 0.235526 O\n0.703497 0.326809 0.735526 O\n0.296503 0.673191 0.264474 O\n0.297142 0.744481 0.682442 O\n0.702858 0.255519 0.317558 O\n0.797142 0.755519 0.817558 O\n0.202858 0.244481 0.182442 O\n0.399635 0.127427 0.985260 O\n0.600365 0.872573 0.014740 O\n0.899635 0.372573 0.514740 O\n0.100365 0.627427 0.485260 O\n0.121765 0.937048 0.784746 O\n0.878235 0.062952 0.215254 O\n0.621765 0.562952 0.715254 O\n0.378235 0.437048 0.284746 O\n0.251756 0.417040 0.983643 O\n0.748244 0.582960 0.016357 O\n0.751756 0.082960 0.516357 O\n0.248244 0.917040 0.483643 O\n0.012774 0.300903 0.972615 O\n0.987226 0.699097 0.027385 O\n0.512774 0.199097 0.527385 O\n0.487226 0.800903 0.472615 O\n0.061841 0.375512 0.786904 O\n0.938159 0.624488 0.213096 O\n0.561841 0.124488 0.713096 O\n0.438159 0.875512 0.286904 O\n0.595926 0.892976 0.786940 O\n0.404074 0.107024 0.213060 O\n0.095926 0.607024 0.713060 O\n0.904074 0.392976 0.286940 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Rb",
"Tb",
"S",
"O"
],
"chemical_system": "O-Rb-S-Tb",
"density": 3.6882338575699003,
"density_atomic": 0.06380828705589388,
"volume": 814.9411682913503,
"volume_molar": 9.437866204941077,
"formula_full": "Rb4 Tb4 S8 O36",
"formula_reduced": "RbTbS2O9",
"formula_anonymous": "ABC2D9",
"energy": -348.93666517,
"energy_per_atom": -6.710320484038462,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -324.20466517,
"band_gap": 1.1795,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.345000Z",
"spacegroup": 14
},
{
"id": "mp-1209304",
"created_at": "2022-09-04T14:43:01.350371Z",
"structure_string": "Rb3 Tb1 V2 O8\n1.0\n-3.046981 -5.277527 0.000000\n-3.046981 5.277527 0.000000\n0.000000 0.000000 -7.890259\nRb Tb V O\n3 1 2 8\ndirect\n0.666667 0.333333 0.313010 Rb\n0.333333 0.666667 0.686990 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Tb\n0.666667 0.333333 0.749455 V\n0.333333 0.666667 0.250545 V\n0.666667 0.333333 0.962463 O\n0.333333 0.666667 0.037537 O\n0.824129 0.648258 0.671297 O\n0.175871 0.351742 0.328703 O\n0.824129 0.175871 0.671297 O\n0.175871 0.824129 0.328703 O\n0.351742 0.175871 0.671297 O\n0.648258 0.824129 0.328703 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Tb",
"V",
"O"
],
"chemical_system": "O-Rb-Tb-V",
"density": 4.222082054601048,
"density_atomic": 0.055170455647772954,
"volume": 253.7590062583638,
"volume_molar": 10.915517534325627,
"formula_full": "Rb3 Tb1 V2 O8",
"formula_reduced": "Rb3TbV2O8",
"formula_anonymous": "AB2C3D8",
"energy": -103.32371114,
"energy_per_atom": -7.380265081428571,
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"energy_uncorrected": -94.42771114,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.844000Z",
"spacegroup": 164
},
{
"id": "mp-1209144",
"created_at": "2022-09-04T14:46:52.065535Z",
"structure_string": "Rb2 Tb2 W4 O16\n1.0\n5.334551 5.474487 0.000000\n-5.334551 5.474487 0.000000\n0.000000 4.852391 5.744738\nRb Tb W O\n2 2 4 16\ndirect\n0.200186 0.799814 0.750000 Rb\n0.799814 0.200186 0.250000 Rb\n0.775864 0.224136 0.750000 Tb\n0.224136 0.775864 0.250000 Tb\n0.699728 0.689157 0.782101 W\n0.300272 0.310843 0.217899 W\n0.310843 0.300272 0.717899 W\n0.689157 0.699728 0.282101 W\n0.621172 0.751755 0.561141 O\n0.378828 0.248245 0.438859 O\n0.248245 0.378828 0.938859 O\n0.751755 0.621172 0.061141 O\n0.374269 0.060972 0.873257 O\n0.625731 0.939028 0.126743 O\n0.939028 0.625731 0.626743 O\n0.060972 0.374269 0.373257 O\n0.591040 0.370249 0.967508 O\n0.408960 0.629751 0.032492 O\n0.629751 0.408960 0.532492 O\n0.370249 0.591040 0.467508 O\n0.782826 0.953966 0.692281 O\n0.217174 0.046034 0.307719 O\n0.046034 0.217174 0.807719 O\n0.953966 0.782826 0.192281 O\n",
"nsites": 24,
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"elements": [
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"Tb",
"W",
"O"
],
"chemical_system": "O-Rb-Tb-W",
"density": 7.325029903499412,
"density_atomic": 0.0715269520692141,
"volume": 335.53785399349954,
"volume_molar": 8.419400779404926,
"formula_full": "Rb2 Tb2 W4 O16",
"formula_reduced": "RbTb(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -206.33710334,
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"energy_uncorrected": -177.59310334,
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"total_magnetization": 6.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45Z",
"spacegroup": 15
},
{
"id": "mp-558396",
"created_at": "2022-09-04T14:40:55.166566Z",
"structure_string": "Rb4 Te2 H24 O20\n1.0\n7.156334 0.000000 0.000000\n-0.621760 8.411220 0.000000\n-1.330936 -2.061761 9.131152\nRb Te H O\n4 2 24 20\ndirect\n0.939288 0.131645 0.707827 Rb\n0.561074 0.538168 0.203947 Rb\n0.060712 0.868355 0.292173 Rb\n0.438926 0.461832 0.796053 Rb\n0.132072 0.428538 0.387755 Te\n0.867928 0.571462 0.612245 Te\n0.390552 0.142468 0.305742 H\n0.402773 0.049277 0.627730 H\n0.503898 0.054556 0.184862 H\n0.288754 0.137682 0.962158 H\n0.192404 0.863388 0.822049 H\n0.712079 0.150340 0.021452 H\n0.586601 0.358231 0.501180 H\n0.911653 0.381927 0.062239 H\n0.783049 0.704114 0.945902 H\n0.088347 0.618073 0.937761 H\n0.830696 0.426918 0.912700 H\n0.863183 0.240018 0.409293 H\n0.711246 0.862318 0.037842 H\n0.413399 0.641769 0.498820 H\n0.678952 0.831113 0.473120 H\n0.609448 0.857532 0.694258 H\n0.597227 0.950723 0.372270 H\n0.169304 0.573082 0.087300 H\n0.807596 0.136612 0.177951 H\n0.216951 0.295886 0.054098 H\n0.321048 0.168887 0.526880 H\n0.287921 0.849660 0.978548 H\n0.496102 0.945444 0.815138 H\n0.136817 0.759982 0.590707 H\n0.880626 0.571368 0.812771 O\n0.714212 0.909433 0.413840 O\n0.799559 0.357340 0.981594 O\n0.351484 0.320521 0.417601 O\n0.718821 0.744383 0.031068 O\n0.281179 0.255617 0.968932 O\n0.094780 0.445010 0.599387 O\n0.708922 0.080881 0.093149 O\n0.956430 0.219314 0.340802 O\n0.119374 0.428632 0.187229 O\n0.043570 0.780686 0.659198 O\n0.200441 0.642660 0.018406 O\n0.420379 0.032929 0.255280 O\n0.281647 0.649556 0.449417 O\n0.285788 0.090567 0.586160 O\n0.648516 0.679479 0.582399 O\n0.905220 0.554990 0.400613 O\n0.291078 0.919119 0.906851 O\n0.579621 0.967071 0.744720 O\n0.718353 0.350444 0.550583 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Rb",
"Te",
"H",
"O"
],
"chemical_system": "H-O-Rb-Te",
"density": 2.8436674680691447,
"density_atomic": 0.09096929689131192,
"volume": 549.6359948757093,
"volume_molar": 6.619970655808321,
"formula_full": "Rb4 Te2 H24 O20",
"formula_reduced": "Rb2Te(H6O5)2",
"formula_anonymous": "AB2C10D12",
"energy": -261.95330019,
"energy_per_atom": -5.2390660038,
"energy_above_hull": null,
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"energy_uncorrected": -248.21330019000004,
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"updated_at": "2021-11-28T01:34:58.749000Z",
"spacegroup": 2
},
{
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"id": "mp-867999",
"created_at": "2022-09-04T14:41:34.993869Z",
"structure_string": "Rb16 Te8 S32 O60\n1.0\n21.622819 0.000000 0.000000\n0.000000 9.574016 0.000000\n0.000000 0.000000 12.675481\nRb Te S O\n16 8 32 60\ndirect\n0.261862 0.748421 0.969091 Rb\n0.238138 0.751579 0.469091 Rb\n0.761862 0.751579 0.030909 Rb\n0.738138 0.748421 0.530909 Rb\n0.738138 0.251579 0.030909 Rb\n0.761862 0.248421 0.530909 Rb\n0.238138 0.248421 0.969091 Rb\n0.261862 0.251579 0.469091 Rb\n0.393852 0.919392 0.689571 Rb\n0.106148 0.580608 0.189571 Rb\n0.893852 0.580608 0.310429 Rb\n0.606148 0.919392 0.810429 Rb\n0.606148 0.080608 0.310429 Rb\n0.893852 0.419392 0.810429 Rb\n0.106148 0.419392 0.689571 Rb\n0.393852 0.080608 0.189571 Rb\n0.071051 0.994429 0.649983 Te\n0.428949 0.505571 0.149983 Te\n0.571051 0.505571 0.350017 Te\n0.928949 0.994429 0.850017 Te\n0.928949 0.005571 0.350017 Te\n0.571051 0.494429 0.850017 Te\n0.428949 0.494429 0.649983 Te\n0.071051 0.005571 0.149983 Te\n0.085477 0.935824 0.469939 S\n0.414523 0.564176 0.969939 S\n0.585477 0.564176 0.530061 S\n0.914523 0.935824 0.030061 S\n0.914523 0.064176 0.530061 S\n0.585477 0.435824 0.030061 S\n0.414523 0.435824 0.469939 S\n0.085477 0.064176 0.969939 S\n0.156986 0.879631 0.730810 S\n0.343014 0.620369 0.230810 S\n0.656986 0.620369 0.269190 S\n0.843014 0.879631 0.769190 S\n0.843014 0.120369 0.269190 S\n0.656986 0.379631 0.769190 S\n0.343014 0.379631 0.730810 S\n0.156986 0.120369 0.230810 S\n0.052305 0.715703 0.461904 S\n0.447695 0.784297 0.961904 S\n0.552305 0.784297 0.538096 S\n0.947695 0.715703 0.038096 S\n0.947695 0.284297 0.538096 S\n0.552305 0.215703 0.038096 S\n0.447695 0.215703 0.461904 S\n0.052305 0.284297 0.961904 S\n0.230293 0.035600 0.720824 S\n0.269707 0.464400 0.220824 S\n0.730293 0.464400 0.279176 S\n0.769707 0.035600 0.779176 S\n0.769707 0.964400 0.279176 S\n0.730293 0.535600 0.779176 S\n0.269707 0.535600 0.720824 S\n0.230293 0.964400 0.220824 S\n0.005041 0.700691 0.542994 O\n0.494959 0.799309 0.042994 O\n0.505041 0.799309 0.457006 O\n0.994959 0.700691 0.957006 O\n0.994959 0.299309 0.457006 O\n0.505041 0.200691 0.957006 O\n0.494959 0.200691 0.542994 O\n0.005041 0.299309 0.042994 O\n0.108519 0.633376 0.477571 O\n0.391481 0.866624 0.977571 O\n0.608519 0.866624 0.522429 O\n0.891481 0.633376 0.022429 O\n0.891481 0.366624 0.522429 O\n0.608519 0.133376 0.022429 O\n0.391481 0.133376 0.477571 O\n0.108519 0.366624 0.977571 O\n0.028795 0.715435 0.352968 O\n0.471205 0.784565 0.852968 O\n0.528795 0.784565 0.647032 O\n0.971205 0.715435 0.147032 O\n0.971205 0.284565 0.647032 O\n0.528795 0.215435 0.147032 O\n0.471205 0.215435 0.352968 O\n0.028795 0.284565 0.852968 O\n0.201151 0.173197 0.729248 O\n0.298849 0.326803 0.229248 O\n0.701151 0.326803 0.270752 O\n0.798849 0.173197 0.770752 O\n0.798849 0.826803 0.270752 O\n0.701151 0.673197 0.770752 O\n0.298849 0.673197 0.729248 O\n0.201151 0.826803 0.229248 O\n0.260942 0.011358 0.618710 O\n0.239058 0.488642 0.118710 O\n0.760942 0.488642 0.381290 O\n0.739058 0.011358 0.881290 O\n0.739058 0.988642 0.381290 O\n0.760942 0.511358 0.881290 O\n0.239058 0.511358 0.618710 O\n0.260942 0.988642 0.118710 O\n0.268411 0.997311 0.812076 O\n0.231589 0.502689 0.312076 O\n0.768411 0.502689 0.187924 O\n0.731589 0.997311 0.687924 O\n0.731589 0.002689 0.187924 O\n0.768411 0.497311 0.687924 O\n0.231589 0.497311 0.812076 O\n0.268411 0.002689 0.312076 O\n0.130033 0.672140 0.955981 O\n0.369967 0.827860 0.455981 O\n0.630033 0.827860 0.044019 O\n0.869967 0.672140 0.544019 O\n0.869967 0.327860 0.044019 O\n0.630033 0.172140 0.544019 O\n0.369967 0.172140 0.955981 O\n0.130033 0.327860 0.455981 O\n0.000000 0.613500 0.750000 O\n0.500000 0.886500 0.250000 O\n0.000000 0.386500 0.250000 O\n0.500000 0.113500 0.750000 O\n",
"nsites": 116,
"nelements": 4,
"elements": [
"Rb",
"Te",
"S",
"O"
],
"chemical_system": "O-Rb-S-Te",
"density": 2.768149943339386,
"density_atomic": 0.044206596419616516,
"volume": 2624.0427763066923,
"volume_molar": 13.622719792396634,
"formula_full": "Rb16 Te8 S32 O60",
"formula_reduced": "Rb4Te2S8O15",
"formula_anonymous": "A2B4C8D15",
"energy": -606.36325476,
"energy_per_atom": -5.227269437586207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -565.14325476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.0073581,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.977000Z",
"spacegroup": 60
}
]
}