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{
"id": "mp-1197507",
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"structure_string": "Sr8 Mo32 H32 O120\n1.0\n0.000000 7.634800 -0.000000\n0.000000 0.000000 15.856049\n19.800902 0.000000 0.000000\nSr Mo H O\n8 32 32 120\ndirect\n0.627869 0.617049 0.965411 Sr\n0.872131 0.117049 0.534589 Sr\n0.872131 0.382951 0.465411 Sr\n0.627869 0.882951 0.034589 Sr\n0.372131 0.382951 0.034589 Sr\n0.127869 0.882951 0.465411 Sr\n0.127869 0.617049 0.534589 Sr\n0.372131 0.117049 0.965411 Sr\n0.872153 0.475042 0.114023 Mo\n0.627847 0.975042 0.385977 Mo\n0.627847 0.524958 0.614023 Mo\n0.872153 0.024958 0.885977 Mo\n0.127847 0.524958 0.885977 Mo\n0.372153 0.024958 0.614023 Mo\n0.372153 0.475042 0.385977 Mo\n0.127847 0.975042 0.114023 Mo\n0.969490 0.680918 0.104383 Mo\n0.530510 0.180918 0.395617 Mo\n0.530510 0.319082 0.604383 Mo\n0.969490 0.819082 0.895617 Mo\n0.030510 0.319082 0.895617 Mo\n0.469490 0.819082 0.604383 Mo\n0.469490 0.680918 0.395617 Mo\n0.030510 0.180918 0.104383 Mo\n0.149253 0.611518 0.246263 Mo\n0.350747 0.111518 0.253737 Mo\n0.350747 0.388482 0.746263 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"nelements": 4,
"elements": [
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"H",
"O"
],
"chemical_system": "H-Mo-O-Sr",
"density": 3.9647159443807345,
"density_atomic": 0.08009835745803892,
"volume": 2397.0528996251005,
"volume_molar": 7.518432276410681,
"formula_full": "Sr8 Mo32 H32 O120",
"formula_reduced": "SrMo4H4O15",
"formula_anonymous": "AB4C4D15",
"energy": -1434.83096467,
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"updated_at": "2021-11-28T01:37:38.504000Z",
"spacegroup": 60
},
{
"id": "mp-698365",
"created_at": "2022-09-04T14:44:15.104828Z",
"structure_string": "Mg8 H80 C32 N32 O48\n1.0\n8.581264 8.679236 0.000000\n-8.581264 8.679236 0.000000\n0.000000 8.423209 12.996952\nMg H C N O\n8 80 32 32 48\ndirect\n0.252870 0.239904 0.996251 Mg\n0.760096 0.747130 0.503749 Mg\n0.747130 0.760096 0.003749 Mg\n0.239904 0.252870 0.496251 Mg\n0.251306 0.742017 0.996487 Mg\n0.257983 0.748694 0.503513 Mg\n0.748694 0.257983 0.003513 Mg\n0.742017 0.251306 0.496487 Mg\n0.541858 0.349890 0.670655 H\n0.650110 0.458142 0.829345 H\n0.458142 0.650110 0.329345 H\n0.349890 0.541858 0.170655 H\n0.509112 0.490625 0.607697 H\n0.509375 0.490888 0.892303 H\n0.490888 0.509375 0.392303 H\n0.490625 0.509112 0.107697 H\n0.241731 0.464962 0.820651 H\n0.535038 0.758269 0.679349 H\n0.758269 0.535038 0.179349 H\n0.464962 0.241731 0.320651 H\n0.332109 0.548338 0.688313 H\n0.451662 0.667891 0.811687 H\n0.667891 0.451662 0.311687 H\n0.548338 0.332109 0.188313 H\n0.968647 0.019797 0.325689 H\n0.980203 0.031353 0.174311 H\n0.031353 0.980203 0.674311 H\n0.019797 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O\n0.101132 0.821857 0.500204 O\n0.821857 0.101132 0.000204 O\n0.898868 0.178143 0.499796 O\n0.575228 0.163459 0.043958 O\n0.836541 0.424772 0.456042 O\n0.424772 0.836541 0.956042 O\n0.163459 0.575228 0.543958 O\n",
"nsites": 200,
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"elements": [
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],
"chemical_system": "C-H-Mg-N-O",
"density": 1.6087397436396729,
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"volume": 1935.995178433016,
"volume_molar": 5.829417737602469,
"formula_full": "Mg8 H80 C32 N32 O48",
"formula_reduced": "MgH10C4(N2O3)2",
"formula_anonymous": "AB4C4D6E10",
"energy": -1294.19520881,
"energy_per_atom": -6.4709760440499995,
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"updated_at": "2021-11-28T01:36:37.702000Z",
"spacegroup": 15
},
{
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"elements": [
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"updated_at": "2021-11-28T01:37:31.948000Z",
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},
{
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}
]
}