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{
"id": "mp-1194753",
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"structure_string": "Ag4 B12 O20\n1.0\n3.936234 0.000000 0.000000\n0.000000 8.396854 0.000000\n0.000000 0.000000 10.392312\nAg B O\n4 12 20\ndirect\n0.741746 0.408025 0.579547 Ag\n0.241746 0.591975 0.420453 Ag\n0.241746 0.908025 0.920453 Ag\n0.741746 0.091975 0.079547 Ag\n0.091498 0.247198 0.337565 B\n0.591498 0.752802 0.662435 B\n0.591498 0.747198 0.162435 B\n0.091498 0.252802 0.837565 B\n0.279711 0.960912 0.312700 B\n0.779711 0.039088 0.687300 B\n0.779711 0.460912 0.187300 B\n0.279711 0.539088 0.812700 B\n0.822148 0.899037 0.471059 B\n0.322148 0.100963 0.528941 B\n0.322148 0.399037 0.028941 B\n0.822148 0.600963 0.971059 B\n0.186932 0.245159 0.466521 O\n0.686932 0.754841 0.533479 O\n0.686932 0.745159 0.033479 O\n0.186932 0.254841 0.966521 O\n0.957552 0.390150 0.296206 O\n0.457552 0.609850 0.703794 O\n0.457552 0.890150 0.203794 O\n0.957552 0.109850 0.796206 O\n0.131803 0.112791 0.264848 O\n0.631803 0.887209 0.735152 O\n0.631803 0.612791 0.235152 O\n0.131803 0.387209 0.764848 O\n0.028158 0.855321 0.365435 O\n0.528158 0.144679 0.634565 O\n0.528158 0.355321 0.134565 O\n0.028158 0.644679 0.865435 O\n0.521151 0.007026 0.427422 O\n0.021151 0.992974 0.572578 O\n0.021151 0.507026 0.072578 O\n0.521151 0.492974 0.927422 O\n",
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"updated_at": "2021-11-28T01:34:44.516000Z",
"spacegroup": 33
},
{
"id": "mp-12062",
"created_at": "2022-09-04T14:39:06.286378Z",
"structure_string": "Ag1 B2\n1.0\n1.513402 -2.621289 0.000000\n1.513402 2.621289 0.000000\n0.000000 0.000000 4.063922\nAg B\n1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
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"density": 6.668703845978472,
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"volume": 32.243677453380414,
"volume_molar": 6.472532141476506,
"formula_full": "Ag1 B2",
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"formula_anonymous": "AB2",
"energy": -14.619873950000002,
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"energy_uncorrected": -14.619873950000002,
"band_gap": 0.0,
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"total_magnetization": 0.0006201,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.030000Z",
"spacegroup": 191
},
{
"id": "mp-703539",
"created_at": "2022-09-04T14:39:25.924371Z",
"structure_string": "Ag4 B44 H24 C4 Br24\n1.0\n11.366295 0.000000 0.000000\n0.000000 12.049970 0.000000\n0.000000 0.000000 13.168283\nAg B H C Br\n4 44 24 4 24\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.171727 0.919256 0.497002 B\n0.328273 0.419256 0.002998 B\n0.671727 0.080744 0.502998 B\n0.828273 0.580744 0.997002 B\n0.828273 0.080744 0.502998 B\n0.671727 0.580744 0.997002 B\n0.328273 0.919256 0.497002 B\n0.171727 0.419256 0.002998 B\n0.123380 0.857726 0.613043 B\n0.376620 0.357726 0.886957 B\n0.623380 0.142274 0.386957 B\n0.876620 0.642274 0.113043 B\n0.876620 0.142274 0.386957 B\n0.623380 0.642274 0.113043 B\n0.376620 0.857726 0.613043 B\n0.123380 0.357726 0.886957 B\n0.250000 0.819625 0.684976 B\n0.250000 0.319625 0.815024 B\n0.750000 0.180375 0.315024 B\n0.750000 0.680375 0.184976 B\n0.122393 0.779609 0.498785 B\n0.377607 0.279609 0.001215 B\n0.622393 0.220391 0.501215 B\n0.877607 0.720391 0.998785 B\n0.877607 0.220391 0.501215 B\n0.622393 0.720391 0.998785 B\n0.377607 0.779609 0.498785 B\n0.122393 0.279609 0.001215 B\n0.171340 0.717661 0.615173 B\n0.328660 0.217661 0.884827 B\n0.671340 0.282339 0.384827 B\n0.828660 0.782339 0.115173 B\n0.828660 0.282339 0.384827 B\n0.671340 0.782339 0.115173 B\n0.328660 0.717661 0.615173 B\n0.171340 0.217661 0.884827 B\n0.250000 0.817764 0.425215 B\n0.250000 0.317764 0.074785 B\n0.750000 0.182236 0.574785 B\n0.750000 0.682236 0.925215 B\n0.250000 0.692907 0.499397 B\n0.250000 0.192907 0.000603 B\n0.750000 0.307093 0.500603 B\n0.750000 0.807093 0.999397 B\n0.250000 0.012627 0.643151 H\n0.250000 0.512627 0.856849 H\n0.750000 0.987373 0.356849 H\n0.750000 0.487373 0.143151 H\n0.120660 0.997092 0.463857 H\n0.379340 0.497092 0.036143 H\n0.620660 0.002908 0.536143 H\n0.879340 0.502908 0.963857 H\n0.879340 0.002908 0.536143 H\n0.620660 0.502908 0.963857 H\n0.379340 0.997092 0.463857 H\n0.120660 0.497092 0.036143 H\n0.039438 0.893804 0.655142 H\n0.460562 0.393804 0.844858 H\n0.539438 0.106196 0.344858 H\n0.960562 0.606196 0.155142 H\n0.960562 0.106196 0.344858 H\n0.539438 0.606196 0.155142 H\n0.460562 0.893804 0.655142 H\n0.039438 0.393804 0.844858 H\n0.250000 0.831773 0.774453 H\n0.250000 0.331773 0.725547 H\n0.750000 0.168227 0.225547 H\n0.750000 0.668227 0.274453 H\n0.250000 0.931976 0.606678 C\n0.250000 0.431976 0.893322 C\n0.750000 0.068024 0.393322 C\n0.750000 0.568024 0.106678 C\n0.973247 0.731111 0.435870 Br\n0.526753 0.231111 0.064130 Br\n0.473247 0.268889 0.564130 Br\n0.026753 0.768889 0.935870 Br\n0.026753 0.268889 0.564130 Br\n0.473247 0.768889 0.935870 Br\n0.526753 0.731111 0.435870 Br\n0.973247 0.231111 0.064130 Br\n0.079479 0.599230 0.682184 Br\n0.420521 0.099230 0.817816 Br\n0.579479 0.400770 0.317816 Br\n0.920521 0.900770 0.182184 Br\n0.920521 0.400770 0.317816 Br\n0.579479 0.900770 0.182184 Br\n0.420521 0.599230 0.682184 Br\n0.079479 0.099230 0.817816 Br\n0.250000 0.814501 0.276634 Br\n0.250000 0.314501 0.223366 Br\n0.750000 0.185499 0.723366 Br\n0.750000 0.685499 0.776634 Br\n0.250000 0.546094 0.433498 Br\n0.250000 0.046094 0.066502 Br\n0.750000 0.453906 0.566502 Br\n0.750000 0.953906 0.933498 Br\n",
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"elements": [
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"chemical_system": "Ag-B-Br-C-H",
"density": 2.66732827232553,
"density_atomic": 0.05544545597712908,
"volume": 1803.5743098812175,
"volume_molar": 10.861378365224551,
"formula_full": "Ag4 B44 H24 C4 Br24",
"formula_reduced": "AgB11H6CBr6",
"formula_anonymous": "ABC6D6E11",
"energy": -511.95693396,
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"total_magnetization": 6.06e-05,
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"updated_at": "2021-11-28T01:34:37.986000Z",
"spacegroup": 62
},
{
"id": "mp-1204520",
"created_at": "2022-09-04T14:44:07.503160Z",
"structure_string": "Ag4 B40 P8 H160 C60 N4 Cl8 O12\n1.0\n0.000000 -10.702975 0.000000\n-13.707783 0.000000 4.456944\n0.075357 0.000000 -22.678874\nAg B P H C N Cl O\n4 40 8 160 60 4 8 12\ndirect\n0.446037 0.145268 0.528341 Ag\n0.053963 0.645268 0.028341 Ag\n0.553963 0.854732 0.471659 Ag\n0.946037 0.354732 0.971659 Ag\n0.379977 0.428772 0.560884 B\n0.120023 0.928772 0.060884 B\n0.620023 0.571228 0.439116 B\n0.879977 0.071228 0.939116 B\n0.310763 0.548807 0.590947 B\n0.189237 0.048807 0.090947 B\n0.689237 0.451193 0.409053 B\n0.810763 0.951193 0.909053 B\n0.230069 0.456023 0.534420 B\n0.269931 0.956023 0.034420 B\n0.769931 0.543977 0.465580 B\n0.730069 0.043977 0.965580 B\n0.121674 0.401667 0.573181 B\n0.378326 0.901667 0.073181 B\n0.878326 0.598333 0.426819 B\n0.621674 0.098333 0.926819 B\n0.396102 0.500640 0.641262 B\n0.103898 0.000640 0.141262 B\n0.603898 0.499360 0.358738 B\n0.896102 0.999360 0.858738 B\n0.219202 0.348376 0.619218 B\n0.280798 0.848376 0.119218 B\n0.780798 0.651624 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