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{
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"elements": [
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"density": 5.3168888333982744,
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"formula_full": "Ba18 Ge46 O114",
"formula_reduced": "Ba9Ge23O57",
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"updated_at": "2021-11-28T01:35:59.690000Z",
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},
{
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"created_at": "2022-09-04T14:40:58.846634Z",
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:40.434000Z",
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},
{
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},
{
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0.327093 0.260274 O\n0.298864 0.929200 0.001453 O\n0.444156 0.803613 0.077467 O\n0.135043 0.697363 0.168574 O\n0.072312 0.335695 0.162518 O\n0.124688 0.817362 0.076725 O\n0.798864 0.570800 0.998547 O\n0.791327 0.573369 0.475610 O\n0.697852 0.299169 0.767809 O\n0.572312 0.164305 0.837482 O\n0.780950 0.939001 0.238556 O\n0.860185 0.196478 0.668345 O\n0.066190 0.291597 0.833585 O\n0.805989 0.672907 0.760274 O\n0.882478 0.172955 0.822876 O\n0.927688 0.835695 0.337482 O\n0.375312 0.182638 0.576725 O\n0.433810 0.708403 0.333585 O\n0.445213 0.794054 0.580317 O\n0.617848 0.778958 0.678001 O\n0.125316 0.816878 0.922315 O\n0.059012 0.169099 0.923297 O\n0.520581 0.995699 0.251592 O\n0.055844 0.196387 0.577467 O\n0.139815 0.696478 0.831655 O\n0.979419 0.004301 0.751592 O\n0.244436 0.018414 0.632704 O\n0.296868 0.519751 0.149323 O\n0.117522 0.672955 0.677124 O\n0.933810 0.791597 0.666415 O\n0.719050 0.060999 0.738556 O\n0.755564 0.518414 0.867296 O\n0.427688 0.664305 0.662518 O\n0.744436 0.481586 0.367296 O\n0.627632 0.673562 0.573108 O\n0.945436 0.809730 0.824145 O\n0.729712 0.090066 0.225889 O\n0.201136 0.070800 0.501453 O\n0.203132 0.480249 0.649323 O\n0.872368 0.326438 0.073108 O\n0.240448 0.311727 0.506736 O\n0.708673 0.426631 0.975610 O\n0.229712 0.409934 0.774111 O\n0.635043 0.802637 0.831426 O\n0.031340 0.966622 0.557730 O\n0.382478 0.327045 0.177124 O\n0.302148 0.799169 0.732191 O\n0.364957 0.302637 0.668574 O\n0.555844 0.303613 0.422533 O\n0.468660 0.033378 0.057730 O\n0.802148 0.700831 0.267809 O\n0.117848 0.721042 0.321999 O\n0.131584 0.785447 0.579042 O\n0.270288 0.590066 0.274111 O\n0.020581 0.504301 0.748408 O\n0.374684 0.183122 0.422315 O\n0.944156 0.696387 0.922533 O\n0.559012 0.330901 0.076703 O\n0.868416 0.285447 0.920958 O\n0.054564 0.309730 0.675855 O\n0.208672 0.073369 0.024390 O\n0.280950 0.560999 0.761444 O\n0.802394 0.809285 0.520256 O\n0.631584 0.714553 0.420958 O\n0.445436 0.690270 0.175855 O\n0.360185 0.303522 0.331655 O\n0.701136 0.429200 0.498547 O\n0.554564 0.190270 0.324145 O\n0.194011 0.172907 0.739726 O\n0.372368 0.173562 0.926892 O\n0.770288 0.909934 0.725889 O\n0.697606 0.190715 0.020256 O\n0.305989 0.827093 0.239726 O\n0.197606 0.309285 0.979744 O\n0.882152 0.221042 0.178001 O\n0.255564 0.981586 0.132704 O\n0.049584 0.315689 0.322822 O\n0.368416 0.214553 0.079042 O\n0.759552 0.811727 0.993264 O\n0.060986 0.198960 0.420146 O\n0.968660 0.466622 0.942270 O\n0.382152 0.278958 0.821999 O\n0.740448 0.188273 0.493264 O\n0.549584 0.184311 0.677178 O\n0.939014 0.698960 0.079854 O\n0.617522 0.827045 0.322876 O\n0.554787 0.294054 0.919683 O\n0.950416 0.815689 0.177178 O\n",
"nsites": 180,
"nelements": 6,
"elements": [
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"Mo",
"P",
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],
"chemical_system": "Ba-Cl-Li-Mo-O-P",
"density": 3.675849729936488,
"density_atomic": 0.0657799493649361,
"volume": 2736.3961471206107,
"volume_molar": 9.154979318378881,
"formula_full": "Ba12 Li8 Mo16 P24 Cl8 O112",
"formula_reduced": "Ba3Li2Mo4P6(ClO14)2",
"formula_anonymous": "A2B2C3D4E6F28",
"energy": -1386.49593043,
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"updated_at": "2021-11-28T01:36:13.407000Z",
"spacegroup": 19
},
{
"id": "mp-1204115",
"created_at": "2022-09-04T14:47:10.392757Z",
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O\n0.648516 0.588223 0.371875 O\n0.148516 0.088223 0.128125 O\n0.351484 0.411777 0.628125 O\n0.851484 0.911777 0.871875 O\n0.210150 0.542342 0.301225 O\n0.710150 0.042342 0.198775 O\n0.789850 0.457658 0.698775 O\n0.289850 0.957658 0.801225 O\n0.365127 0.519172 0.114327 O\n0.865127 0.019172 0.385673 O\n0.634873 0.480828 0.885673 O\n0.134873 0.980828 0.614327 O\n0.813362 0.555950 0.191537 O\n0.313362 0.055950 0.308463 O\n0.186638 0.444050 0.808463 O\n0.686638 0.944050 0.691537 O\n0.766599 0.478253 0.519300 O\n0.266599 0.978253 0.980700 O\n0.233401 0.521747 0.480700 O\n0.733401 0.021747 0.019300 O\n",
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"elements": [
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],
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"density": 2.1678711940586797,
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"formula_full": "Cd8 H72 C32 O68",
"formula_reduced": "Cd2H18C8O17",
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"updated_at": "2021-11-28T01:37:48.258000Z",
"spacegroup": 14
},
{
"id": "mp-1199706",
"created_at": "2022-09-04T14:46:52.366191Z",
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{
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}