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{
"id": "mp-1197795",
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"structure_string": "Rb8 B40 H100 N20\n1.0\n9.092910 0.000000 0.000000\n0.000000 14.444120 0.000000\n0.000000 0.000000 14.445495\nRb B H N\n8 40 100 20\ndirect\n0.986609 0.841855 0.570609 Rb\n0.513391 0.658145 0.070609 Rb\n0.486609 0.158145 0.429391 Rb\n0.013391 0.341855 0.929391 Rb\n0.013391 0.158145 0.429391 Rb\n0.486609 0.341855 0.929391 Rb\n0.513391 0.841855 0.570609 Rb\n0.986609 0.658145 0.070609 Rb\n0.250000 0.659986 0.684680 B\n0.250000 0.840014 0.184680 B\n0.750000 0.340014 0.315320 B\n0.750000 0.159986 0.815320 B\n0.250000 0.538995 0.912141 B\n0.250000 0.961005 0.412141 B\n0.750000 0.461005 0.087859 B\n0.750000 0.038995 0.587859 B\n0.149312 0.680097 0.781808 B\n0.350688 0.819903 0.281808 B\n0.649312 0.319903 0.218192 B\n0.850688 0.180097 0.718192 B\n0.850688 0.319903 0.218192 B\n0.649312 0.180097 0.718192 B\n0.350688 0.680097 0.781808 B\n0.149312 0.819903 0.281808 B\n0.149217 0.568106 0.722184 B\n0.350783 0.931894 0.222184 B\n0.649217 0.431894 0.277816 B\n0.850783 0.068106 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H\n0.160095 0.170310 0.808763 H\n0.160095 0.329690 0.308763 H\n0.339905 0.170310 0.808763 H\n0.660095 0.670310 0.691237 H\n0.839905 0.829690 0.191237 H\n0.750000 0.650364 0.595065 H\n0.750000 0.849636 0.095065 H\n0.250000 0.349636 0.404935 H\n0.250000 0.150364 0.904935 H\n0.160472 0.958922 0.734146 H\n0.339528 0.541078 0.234146 H\n0.660472 0.041078 0.265854 H\n0.839528 0.458922 0.765854 H\n0.839528 0.041078 0.265854 H\n0.660472 0.458922 0.765854 H\n0.339528 0.958922 0.734146 H\n0.160472 0.541078 0.234146 H\n0.250000 0.862289 0.755995 H\n0.250000 0.637711 0.255995 H\n0.750000 0.137711 0.244005 H\n0.750000 0.362289 0.744005 H\n0.008105 0.640273 0.468318 N\n0.491895 0.859727 0.968318 N\n0.508105 0.359727 0.531682 N\n0.991895 0.140273 0.031682 N\n0.991895 0.359727 0.531682 N\n0.508105 0.140273 0.031682 N\n0.491895 0.640273 0.468318 N\n0.008105 0.859727 0.968318 N\n0.750000 0.794260 0.423149 N\n0.750000 0.705740 0.923149 N\n0.250000 0.205740 0.576851 N\n0.250000 0.294260 0.076851 N\n0.750000 0.690253 0.653487 N\n0.750000 0.809747 0.153487 N\n0.250000 0.309747 0.346513 N\n0.250000 0.190253 0.846513 N\n0.250000 0.920259 0.715209 N\n0.250000 0.579741 0.215209 N\n0.750000 0.079741 0.284791 N\n0.750000 0.420259 0.784791 N\n",
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"elements": [
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],
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"formula_full": "Rb8 B40 H100 N20",
"formula_reduced": "Rb2B10(H5N)5",
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"energy": -841.2801189400001,
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"updated_at": "2021-11-28T01:38:25.702000Z",
"spacegroup": 62
},
{
"id": "mp-1214367",
"created_at": "2022-09-04T14:48:05.992798Z",
"structure_string": "Ba2 Tb2 Fe8 O14\n1.0\n-3.189246 -5.523938 0.000000\n-3.189246 5.523938 0.000000\n0.000000 0.000000 -10.765519\nBa Tb Fe O\n2 2 8 14\ndirect\n0.666667 0.333333 0.534079 Ba\n0.333333 0.666667 0.034079 Ba\n0.666667 0.333333 0.940482 Tb\n0.333333 0.666667 0.440482 Tb\n0.188855 0.377709 0.738705 Fe\n0.188855 0.811145 0.738705 Fe\n0.811145 0.622291 0.238705 Fe\n0.622291 0.811145 0.738705 Fe\n0.811145 0.188855 0.238705 Fe\n0.377709 0.188855 0.238705 Fe\n0.000000 0.000000 0.985822 Fe\n0.000000 0.000000 0.485822 Fe\n0.000000 0.000000 0.807734 O\n0.000000 0.000000 0.307734 O\n0.156978 0.313955 0.559578 O\n0.156978 0.843022 0.559578 O\n0.843022 0.686045 0.059578 O\n0.686045 0.843022 0.559578 O\n0.843022 0.156978 0.059578 O\n0.313955 0.156978 0.059578 O\n0.492336 0.984672 0.836612 O\n0.492336 0.507664 0.836612 O\n0.507664 0.015328 0.336612 O\n0.015328 0.507664 0.836612 O\n0.507664 0.492336 0.336612 O\n0.984672 0.492336 0.336612 O\n",
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},
{
"id": "mp-755070",
"created_at": "2022-09-04T14:48:06.000191Z",
"structure_string": "Ce2 Sm2 O4\n1.0\n0.000431 4.973515 0.000397\n2.492331 -2.486145 4.977084\n4.983852 0.000431 0.000620\nCe Sm O\n2 2 4\ndirect\n0.246277 0.498539 0.249792 Ce\n0.496583 0.997843 0.502777 Ce\n0.996988 0.997720 0.002677 Sm\n0.748313 0.498293 0.749895 Sm\n0.745292 0.498873 0.250346 O\n0.245077 0.491686 0.748723 O\n0.498542 0.000480 0.003303 O\n0.995799 0.997313 0.502128 O\n",
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},
{
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"structure_string": "Cl4 O20\n1.0\n5.485079 0.000000 0.000000\n0.000000 7.167725 0.000000\n0.000000 0.000000 8.763239\nCl O\n4 20\ndirect\n0.250000 0.306043 0.921881 Cl\n0.250000 0.193957 0.421881 Cl\n0.750000 0.693957 0.078119 Cl\n0.750000 0.806043 0.578119 Cl\n0.250000 0.436196 0.794796 O\n0.250000 0.063804 0.294796 O\n0.750000 0.563804 0.205204 O\n0.750000 0.936196 0.705204 O\n0.250000 0.400515 0.066276 O\n0.250000 0.099485 0.566276 O\n0.750000 0.599485 0.933724 O\n0.750000 0.900515 0.433724 O\n0.031975 0.184385 0.908633 O\n0.468025 0.315615 0.408633 O\n0.531975 0.815615 0.091367 O\n0.968025 0.684385 0.591367 O\n0.968025 0.815615 0.091367 O\n0.531975 0.684385 0.591367 O\n0.468025 0.184385 0.908633 O\n0.031975 0.315615 0.408633 O\n0.750000 0.177655 0.173849 O\n0.750000 0.322345 0.673849 O\n0.250000 0.822345 0.826151 O\n0.250000 0.677655 0.326151 O\n",
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},
{
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"structure_string": "Mg12 H24 C24 O48\n1.0\n10.062995 0.000000 0.000000\n0.000000 11.509965 0.000000\n0.000000 11.140857 14.863588\nMg H C O\n12 24 24 48\ndirect\n0.113238 0.568799 0.691203 Mg\n0.386762 0.568799 0.191203 Mg\n0.422144 0.621159 0.634804 Mg\n0.886762 0.431201 0.308797 Mg\n0.500000 0.500000 0.500000 Mg\n0.577856 0.378841 0.365196 Mg\n0.613238 0.431201 0.808797 Mg\n0.922144 0.378841 0.865196 Mg\n0.077856 0.621159 0.134804 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.040398 0.798636 0.730045 H\n0.746387 0.507537 0.127133 H\n0.753613 0.507537 0.627133 H\n0.162992 0.233571 0.075048 H\n0.202426 0.252029 0.765082 H\n0.107378 0.522856 0.540877 H\n0.837008 0.766429 0.924952 H\n0.459602 0.798636 0.230045 H\n0.892622 0.477144 0.459123 H\n0.337008 0.233571 0.575048 H\n0.959602 0.201364 0.269955 H\n0.297574 0.252029 0.265082 H\n0.704890 0.009855 0.990254 H\n0.607378 0.477144 0.959123 H\n0.797574 0.747971 0.234918 H\n0.392622 0.522856 0.040877 H\n0.253613 0.492463 0.872867 H\n0.662992 0.766429 0.424952 H\n0.795110 0.009855 0.490254 H\n0.540398 0.201364 0.769955 H\n0.204890 0.990145 0.509746 H\n0.702426 0.747971 0.734918 H\n0.246387 0.492463 0.372867 H\n0.295110 0.990145 0.009746 H\n0.715109 0.471340 0.949411 C\n0.130224 0.231845 0.816580 C\n0.869776 0.768155 0.183420 C\n0.599132 0.771836 0.471228 C\n0.225292 0.872465 0.556620 C\n0.832944 0.500112 0.670912 C\n0.516629 0.311264 0.708607 C\n0.483371 0.688736 0.291393 C\n0.167056 0.499888 0.329088 C\n0.016629 0.688736 0.791393 C\n0.784891 0.471340 0.449411 C\n0.099132 0.228164 0.028772 C\n0.332944 0.499888 0.829088 C\n0.284891 0.528660 0.050589 C\n0.725292 0.127535 0.943380 C\n0.900868 0.771836 0.971228 C\n0.667056 0.500112 0.170912 C\n0.369776 0.231845 0.316580 C\n0.215109 0.528660 0.550589 C\n0.400868 0.228164 0.528772 C\n0.630224 0.768155 0.683420 C\n0.774708 0.127535 0.443380 C\n0.983371 0.311264 0.208607 C\n0.274708 0.872465 0.056620 C\n0.474228 0.340674 0.474989 O\n0.204729 0.518530 0.003161 O\n0.499500 0.327787 0.636340 O\n0.604407 0.883261 0.467976 O\n0.698584 0.441479 0.253207 O\n0.347734 0.834112 0.563395 O\n0.295271 0.518530 0.503161 O\n0.500500 0.672213 0.363660 O\n0.418801 0.345942 0.304171 O\n0.918801 0.654058 0.195829 O\n0.104407 0.116739 0.032024 O\n0.008996 0.587621 0.781348 O\n0.395438 0.103184 0.380245 O\n0.652266 0.165888 0.436605 O\n0.895438 0.896816 0.119755 O\n0.795271 0.481470 0.996839 O\n0.025772 0.340674 0.974989 O\n0.999500 0.672213 0.863660 O\n0.604562 0.896816 0.619755 O\n0.704729 0.481470 0.496839 O\n0.395593 0.116739 0.532024 O\n0.254103 0.545060 0.111434 O\n0.554432 0.548623 0.136617 O\n0.628920 0.211202 0.901751 O\n0.245897 0.545060 0.611434 O\n0.754103 0.454940 0.388566 O\n0.152266 0.834112 0.063395 O\n0.581199 0.654058 0.695829 O\n0.000500 0.327787 0.136340 O\n0.801416 0.441479 0.753207 O\n0.128920 0.788798 0.598249 O\n0.371080 0.788798 0.098249 O\n0.491004 0.587621 0.281348 O\n0.525772 0.659326 0.525011 O\n0.991004 0.412379 0.218652 O\n0.104562 0.103184 0.880245 O\n0.508996 0.412379 0.718652 O\n0.445568 0.451377 0.863383 O\n0.895593 0.883261 0.967976 O\n0.974228 0.659326 0.025011 O\n0.847734 0.165888 0.936605 O\n0.198584 0.558521 0.246793 O\n0.081199 0.345942 0.804171 O\n0.745897 0.454940 0.888566 O\n0.871080 0.211202 0.401751 O\n0.945568 0.548623 0.636617 O\n0.054432 0.451377 0.363383 O\n0.301416 0.558521 0.746793 O\n",
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},
{
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