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{
"id": "mp-680306",
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"structure_string": "Rb56 Si40 O68\n1.0\n8.000233 0.000000 0.000000\n0.000000 14.730443 0.000000\n0.000000 6.954067 32.231335\nRb Si O\n56 40 68\ndirect\n0.946438 0.204049 0.742495 Rb\n0.402340 0.420937 0.287667 Rb\n0.361448 0.799440 0.639311 Rb\n0.030604 0.177936 0.628549 Rb\n0.136668 0.574024 0.215341 Rb\n0.097660 0.920937 0.787667 Rb\n0.861448 0.700560 0.860689 Rb\n0.098715 0.209040 0.855418 Rb\n0.401285 0.709040 0.355418 Rb\n0.011037 0.705512 0.741866 Rb\n0.632300 0.856559 0.527756 Rb\n0.457358 0.050999 0.933876 Rb\n0.902340 0.079063 0.212333 Rb\n0.509756 0.491755 0.066359 Rb\n0.363332 0.074024 0.715341 Rb\n0.597660 0.579063 0.712333 Rb\n0.629317 0.626622 0.467063 Rb\n0.490244 0.508245 0.933641 Rb\n0.870683 0.126622 0.967063 Rb\n0.042642 0.550999 0.433876 Rb\n0.444976 0.552520 0.609852 Rb\n0.598715 0.290960 0.644582 Rb\n0.370683 0.373378 0.532937 Rb\n0.947907 0.680536 0.615614 Rb\n0.129317 0.873378 0.032937 Rb\n0.469396 0.677936 0.128549 Rb\n0.132300 0.643441 0.972244 Rb\n0.553562 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"formula_full": "Rb56 Si40 O68",
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"updated_at": "2021-11-28T01:34:30.863000Z",
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{
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Ge\n0.733010 0.147314 0.521460 Ge\n0.264293 0.225617 0.044700 Ge\n0.212456 0.177282 0.973982 Ge\n0.233010 0.352686 0.978540 Ge\n0.524444 0.752576 0.508393 Ge\n0.765301 0.116107 0.290808 O\n0.504361 0.136546 0.339678 O\n0.295716 0.751510 0.178514 O\n0.772088 0.500893 0.867439 O\n0.778627 0.875449 0.211322 O\n0.204284 0.251510 0.678514 O\n0.761317 0.753184 0.684954 O\n0.276710 0.979509 0.251494 O\n0.479006 0.504134 0.699386 O\n0.813904 0.566340 0.319958 O\n0.695096 0.502068 0.637239 O\n0.723290 0.020491 0.748506 O\n0.227912 0.499107 0.132561 O\n0.278627 0.624551 0.288678 O\n0.751958 0.622114 0.171618 O\n0.976978 0.487518 0.803900 O\n0.313904 0.933660 0.180042 O\n0.726055 0.383117 0.112666 O\n0.971343 0.136097 0.842192 O\n0.748042 0.122114 0.671618 O\n0.261317 0.746816 0.815046 O\n0.792785 0.383907 0.317770 O\n0.776710 0.520491 0.248506 O\n0.265301 0.383893 0.209192 O\n0.523022 0.987518 0.303900 O\n0.251958 0.877886 0.328382 O\n0.234699 0.883893 0.709192 O\n0.248042 0.377886 0.828382 O\n0.707215 0.883907 0.817770 O\n0.520994 0.495866 0.300614 O\n0.773901 0.934590 0.686609 O\n0.738683 0.253184 0.184954 O\n0.297474 0.883952 0.106672 O\n0.795716 0.748490 0.321486 O\n0.028657 0.863903 0.157808 O\n0.273945 0.616883 0.887334 O\n0.304904 0.497932 0.362761 O\n0.226099 0.065410 0.313391 O\n0.004361 0.363454 0.160322 O\n0.704284 0.248490 0.821486 O\n0.727912 0.000893 0.367439 O\n0.995639 0.636546 0.839678 O\n0.186096 0.433660 0.680042 O\n0.726099 0.434590 0.186609 O\n0.686096 0.066340 0.819958 O\n0.202526 0.383952 0.606672 O\n0.804904 0.002068 0.137239 O\n0.797474 0.616048 0.393328 O\n0.734699 0.616107 0.790808 O\n0.471343 0.363903 0.657808 O\n0.238683 0.246816 0.315046 O\n0.528657 0.636097 0.342192 O\n0.226055 0.116883 0.387334 O\n0.272088 0.999107 0.632561 O\n0.979006 0.995866 0.800614 O\n0.273901 0.565410 0.813391 O\n0.702526 0.116048 0.893328 O\n0.495639 0.863454 0.660322 O\n0.292785 0.116093 0.182230 O\n0.223290 0.479509 0.751494 O\n0.476978 0.012482 0.696100 O\n0.207215 0.616093 0.682230 O\n0.221373 0.124551 0.788678 O\n0.023022 0.512482 0.196100 O\n0.195096 0.997932 0.862761 O\n0.020994 0.004134 0.199386 O\n0.721373 0.375449 0.711322 O\n0.773945 0.883117 0.612666 O\n",
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"elements": [
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],
"chemical_system": "Ge-O-Rb-Si",
"density": 3.3514909299702347,
"density_atomic": 0.04292923865735822,
"volume": 3820.2401237295144,
"volume_molar": 14.028063269572531,
"formula_full": "Rb56 Si24 Ge16 O68",
"formula_reduced": "Rb14Si6Ge4O17",
"formula_anonymous": "A4B6C14D17",
"energy": -959.29854553,
"energy_per_atom": -5.849381375182927,
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"updated_at": "2021-11-28T01:34:56.798000Z",
"spacegroup": 14
},
{
"id": "mp-706601",
"created_at": "2022-09-04T14:47:24.339543Z",
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0.684640 H\n0.243433 0.005829 0.684640 H\n0.756567 0.505829 0.815360 H\n0.743433 0.994171 0.815360 H\n0.743433 0.505829 0.315360 H\n0.756567 0.994171 0.315360 H\n0.243433 0.494171 0.184640 H\n0.256567 0.005829 0.184640 H\n0.157558 0.402991 0.616938 C\n0.342442 0.097009 0.616938 C\n0.657558 0.597009 0.883062 C\n0.842442 0.902991 0.883062 C\n0.842442 0.597009 0.383062 C\n0.657558 0.902991 0.383062 C\n0.342442 0.402991 0.116938 C\n0.157558 0.097009 0.116938 C\n0.246903 0.002500 0.378172 C\n0.253097 0.497500 0.378172 C\n0.746903 0.997500 0.121828 C\n0.753097 0.502500 0.121828 C\n0.753097 0.997500 0.621828 C\n0.746903 0.502500 0.621828 C\n0.253097 0.002500 0.878172 C\n0.246903 0.497500 0.878172 C\n0.041368 0.318899 0.577075 S\n0.458632 0.181101 0.577075 S\n0.541368 0.681101 0.922925 S\n0.958632 0.818899 0.922925 S\n0.958632 0.681101 0.422925 S\n0.541368 0.818899 0.422925 S\n0.458632 0.318899 0.077075 S\n0.041368 0.181101 0.077075 S\n0.107852 0.093638 0.467775 S\n0.392148 0.406362 0.467775 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"elements": [
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"density": 1.5601663736751026,
"density_atomic": 0.07799462543357205,
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"energy": -932.13451634,
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"updated_at": "2021-11-28T01:38:01.532000Z",
"spacegroup": 56
},
{
"id": "mp-729824",
"created_at": "2022-09-04T14:39:06.038195Z",
"structure_string": "Mn6 Mo4 H68 C44 N32 O10\n1.0\n11.785489 6.312209 -5.816275\n-11.785489 6.312209 5.816275\n-0.010224 0.000000 13.669698\nMn Mo H C N O\n6 4 68 44 32 10\ndirect\n0.067201 0.067201 0.250000 Mn\n0.932799 0.932799 0.750000 Mn\n0.304022 0.728770 0.539574 Mn\n0.728770 0.304022 0.960426 Mn\n0.695978 0.271230 0.460426 Mn\n0.271230 0.695978 0.039574 Mn\n0.053130 0.338518 0.826289 Mo\n0.338518 0.053130 0.673711 Mo\n0.946870 0.661482 0.173711 Mo\n0.661482 0.946870 0.326289 Mo\n0.255698 0.320216 0.231578 H\n0.320216 0.255698 0.268422 H\n0.744302 0.679784 0.768422 H\n0.679784 0.744302 0.731578 H\n0.461675 0.649844 0.642118 H\n0.649844 0.461675 0.857882 H\n0.538325 0.350156 0.357882 H\n0.350156 0.538325 0.142118 H\n0.376555 0.588917 0.721986 H\n0.588917 0.376555 0.778014 H\n0.623445 0.411083 0.278014 H\n0.411083 0.623445 0.221986 H\n0.628098 0.545766 0.966729 H\n0.545766 0.628098 0.533271 H\n0.371902 0.454234 0.033271 H\n0.454234 0.371902 0.466729 H\n0.511714 0.492431 0.877278 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},
{
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:49.054000Z",
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},
{
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"created_at": "2022-09-04T14:46:10.346693Z",
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}
]
}