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{
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{
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},
{
"id": "mp-996953",
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"structure_string": "Cu1 H1 O2\n1.0\n1.394985 3.242874 0.000000\n-1.394985 3.242874 0.000000\n0.000000 0.656603 4.393459\nCu H O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 H\n0.078761 0.078761 0.235520 O\n0.921239 0.921239 0.764480 O\n",
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},
{
"id": "mp-1196282",
"created_at": "2022-09-04T14:46:01.824564Z",
"structure_string": "Cs8 H16 F24\n1.0\n7.501002 0.000000 0.000000\n0.000000 9.293367 0.000000\n0.000000 0.000000 11.604901\nCs H F\n8 16 24\ndirect\n0.015336 0.357188 0.110264 Cs\n0.484664 0.642812 0.610264 Cs\n0.984664 0.857188 0.389736 Cs\n0.515336 0.142812 0.889736 Cs\n0.526875 0.215174 0.338071 Cs\n0.973125 0.784826 0.838071 Cs\n0.473125 0.715174 0.161929 Cs\n0.026875 0.284826 0.661929 Cs\n0.536719 0.412699 0.058983 H\n0.963281 0.587301 0.558983 H\n0.463281 0.912699 0.441017 H\n0.036719 0.087301 0.941017 H\n0.215747 0.490830 0.373623 H\n0.284253 0.509170 0.873623 H\n0.784253 0.990830 0.126377 H\n0.715747 0.009170 0.626377 H\n0.206378 0.023065 0.118994 H\n0.293622 0.976935 0.618994 H\n0.793622 0.523065 0.381006 H\n0.706378 0.476935 0.881006 H\n0.033113 0.261407 0.387640 H\n0.466887 0.738593 0.887640 H\n0.966887 0.761407 0.112360 H\n0.533113 0.238593 0.612360 H\n0.161969 0.353698 0.364858 F\n0.338031 0.646302 0.864858 F\n0.838031 0.853698 0.135142 F\n0.661969 0.146302 0.635142 F\n0.168942 0.044970 0.006064 F\n0.331058 0.955030 0.506064 F\n0.831058 0.544970 0.493936 F\n0.668942 0.455030 0.993936 F\n0.265782 0.593657 0.375053 F\n0.234218 0.406343 0.875053 F\n0.734218 0.093657 0.124947 F\n0.765782 0.906343 0.624947 F\n0.243455 0.010387 0.203052 F\n0.256545 0.989613 0.703052 F\n0.756545 0.510387 0.296948 F\n0.743455 0.489613 0.796948 F\n0.436235 0.379361 0.114402 F\n0.063765 0.620639 0.614402 F\n0.563765 0.879361 0.385598 F\n0.936235 0.120639 0.885598 F\n0.064836 0.685953 0.096067 F\n0.435164 0.314047 0.596067 F\n0.935164 0.185953 0.403933 F\n0.564836 0.814047 0.903933 F\n",
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"formula_full": "Cs8 H16 F24",
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"updated_at": "2021-11-28T01:37:16.742000Z",
"spacegroup": 19
},
{
"id": "mp-1021278",
"created_at": "2022-09-04T14:46:01.903269Z",
"structure_string": "Li2 Mg12 Ga2\n1.0\n4.987163 0.000000 0.000000\n0.000000 6.255720 0.000000\n0.000000 0.000000 10.930701\nLi Mg Ga\n2 12 2\ndirect\n0.500000 0.000000 0.167372 Li\n0.500000 0.500000 0.667372 Li\n0.500000 0.249151 0.416463 Mg\n0.500000 0.750849 0.416463 Mg\n0.000000 0.749417 0.085134 Mg\n0.000000 0.250583 0.085134 Mg\n0.000000 0.000000 0.332102 Mg\n0.000000 0.500000 0.331405 Mg\n0.500000 0.749151 0.916463 Mg\n0.500000 0.250849 0.916463 Mg\n0.000000 0.249417 0.585134 Mg\n0.000000 0.750583 0.585134 Mg\n0.000000 0.500000 0.832102 Mg\n0.000000 0.000000 0.831405 Mg\n0.500000 0.500000 0.165923 Ga\n0.500000 0.000000 0.665923 Ga\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.166798456196331,
"density_atomic": 0.04691817417557103,
"volume": 341.01923787841577,
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"formula_full": "Li2 Mg12 Ga2",
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"formula_anonymous": "ABC6",
"energy": -29.90784671,
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"spacegroup": 38
},
{
"id": "mp-1229060",
"created_at": "2022-09-04T14:46:01.905391Z",
"structure_string": "Al1 V12 Ge3\n1.0\n4.771483 0.000000 0.000000\n0.000000 4.775827 0.000000\n0.000000 0.000000 9.555964\nAl V Ge\n1 12 3\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.624808 V\n0.500000 0.000000 0.124917 V\n0.750561 0.500000 0.249649 V\n0.750561 0.500000 0.750351 V\n0.000000 0.749434 0.500000 V\n0.000000 0.749843 0.000000 V\n0.500000 0.000000 0.375192 V\n0.500000 0.000000 0.875083 V\n0.249439 0.500000 0.249649 V\n0.249439 0.500000 0.750351 V\n0.000000 0.250566 0.500000 V\n0.000000 0.250157 0.000000 V\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.249766 Ge\n0.000000 0.000000 0.750234 Ge\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Al-Ge-V",
"density": 6.529014222069985,
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"formula_full": "Al1 V12 Ge3",
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"spacegroup": 47
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{
"id": "mp-505812",
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"structure_string": "Co6 Ag4 P8 O28\n1.0\n5.405776 0.000000 0.000000\n-1.880864 6.157493 0.000000\n-2.595057 -1.991571 16.452321\nCo Ag P O\n6 4 8 28\ndirect\n0.416935 0.958741 0.653630 Co\n0.583065 0.041259 0.346370 Co\n0.785606 0.718188 0.591888 Co\n0.214394 0.281812 0.408112 Co\n0.832390 0.361468 0.799161 Co\n0.167610 0.638532 0.200839 Co\n0.091425 0.733659 0.979520 Ag\n0.908575 0.266341 0.020480 Ag\n0.479585 0.743023 0.871255 Ag\n0.520415 0.256977 0.128745 Ag\n0.336717 0.242761 0.910297 P\n0.663283 0.757239 0.089703 P\n0.961883 0.899541 0.778371 P\n0.038117 0.100459 0.221629 P\n0.843353 0.220680 0.542674 P\n0.156647 0.779320 0.457326 P\n0.309820 0.423911 0.674170 P\n0.690180 0.576089 0.325830 P\n0.170721 0.399135 0.893448 O\n0.829279 0.600865 0.106552 O\n0.291153 0.137715 0.988334 O\n0.708847 0.862285 0.011666 O\n0.627130 0.340166 0.903877 O\n0.372870 0.659834 0.096123 O\n0.235089 0.043446 0.835951 O\n0.764911 0.956554 0.164049 O\n0.864412 0.693368 0.820314 O\n0.135588 0.306632 0.179686 O\n0.761493 0.028499 0.773954 O\n0.238507 0.971501 0.226046 O\n0.052050 0.860565 0.697931 O\n0.947950 0.139435 0.302069 O\n0.725865 0.404781 0.553268 O\n0.274135 0.595219 0.446732 O\n0.701877 0.015336 0.579895 O\n0.298123 0.984664 0.420105 O\n0.866584 0.160630 0.454003 O\n0.133416 0.839370 0.545997 O\n0.149428 0.296889 0.586343 O\n0.850572 0.703111 0.413657 O\n0.120701 0.443363 0.729101 O\n0.879299 0.556637 0.270899 O\n0.488781 0.283988 0.702279 O\n0.511219 0.716012 0.297721 O\n0.476008 0.650692 0.656269 O\n0.523992 0.349308 0.343731 O\n",
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{
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{
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{
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}