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{
"id": "mp-625815",
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"structure_string": "H32 N8 O4\n1.0\n9.766497 0.000000 0.000000\n0.000000 5.195246 0.000000\n0.000000 0.257250 9.753602\nH N O\n32 8 4\ndirect\n0.395256 0.797149 0.049767 H\n0.469558 0.821589 0.063844 H\n0.248425 0.446286 0.154058 H\n0.523575 0.453622 0.232512 H\n0.350413 0.657849 0.460807 H\n0.597267 0.652904 0.397753 H\n0.392073 0.915088 0.373865 H\n0.163156 0.721328 0.280062 H\n0.104744 0.797149 0.549767 H\n0.030442 0.821589 0.563844 H\n0.251575 0.446286 0.654058 H\n0.336844 0.721328 0.780062 H\n0.149587 0.657849 0.960807 H\n0.976425 0.453622 0.732512 H\n0.902733 0.652904 0.897753 H\n0.107927 0.915088 0.873865 H\n0.604744 0.202851 0.950233 H\n0.530442 0.178411 0.936156 H\n0.476425 0.546378 0.767488 H\n0.649587 0.342151 0.539193 H\n0.751575 0.553714 0.845942 H\n0.607927 0.084912 0.626135 H\n0.402733 0.347096 0.602247 H\n0.836844 0.278672 0.719938 H\n0.895256 0.202851 0.450233 H\n0.969558 0.178411 0.436156 H\n0.097267 0.347096 0.102247 H\n0.748425 0.553714 0.345942 H\n0.663156 0.278672 0.219938 H\n0.023575 0.546378 0.267488 H\n0.892073 0.084912 0.126135 H\n0.850413 0.342151 0.039193 H\n0.087522 0.668265 0.213039 N\n0.412478 0.668265 0.713039 N\n0.912478 0.331735 0.786961 N\n0.587522 0.331735 0.286961 N\n0.657190 0.492300 0.387605 N\n0.842810 0.492300 0.887605 N\n0.342810 0.507700 0.612395 N\n0.157190 0.507700 0.112395 N\n0.362705 0.736518 0.363810 O\n0.137295 0.736518 0.863810 O\n0.637295 0.263482 0.636190 O\n0.862705 0.263482 0.136190 O\n",
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{
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"formula_full": "Li1 Ge2 Rh1",
"formula_reduced": "LiGe2Rh",
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{
"id": "mp-1097104",
"created_at": "2022-09-04T14:41:29.528404Z",
"structure_string": "Be2 Co1 Au1\n1.0\n-4.364154 5.128587 7.257874\n4.364154 -5.128587 7.257874\n4.364154 5.128587 -7.257874\nBe Co Au\n2 1 1\ndirect\n0.000000 0.244157 0.244157 Be\n0.000000 0.755843 0.755843 Be\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Au\n",
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"volume": 649.7813023330856,
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"formula_full": "Be2 Co1 Au1",
"formula_reduced": "Be2CoAu",
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{
"id": "mp-1079676",
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"structure_string": "Li2 Be2 H6\n1.0\n1.939504 4.595343 0.000000\n-1.939504 4.595343 0.000000\n0.000000 0.894203 5.050369\nLi Be H\n2 2 6\ndirect\n0.805991 0.944933 0.366606 Li\n0.055067 0.194009 0.633394 Li\n0.652800 0.899680 0.851360 Be\n0.100320 0.347200 0.148640 Be\n0.863791 0.980075 0.725344 H\n0.019925 0.136209 0.274656 H\n0.616752 0.736653 0.671940 H\n0.263347 0.383248 0.328060 H\n0.736483 0.730376 0.117144 H\n0.269624 0.263517 0.882856 H\n",
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"volume": 90.02470747407102,
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"formula_full": "Li2 Be2 H6",
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"formula_anonymous": "ABC3",
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},
{
"id": "mp-1095964",
"created_at": "2022-09-04T14:46:53.204538Z",
"structure_string": "Zn2 Ag1 Pd1\n1.0\n-4.942607 5.410266 7.649045\n4.942607 -5.410266 7.649045\n4.942607 5.410266 -7.649045\nZn Ag Pd\n2 1 1\ndirect\n0.000000 0.243881 0.243881 Zn\n0.000000 0.756119 0.756119 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 818.1668993388719,
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"formula_full": "Zn2 Ag1 Pd1",
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"spacegroup": 71
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{
"id": "mp-1097201",
"created_at": "2022-09-04T14:42:00.666246Z",
"structure_string": "Cd1 In2 Hg1\n1.0\n-6.093363 6.119091 8.625274\n6.093363 -6.119091 8.625274\n6.093363 6.119091 -8.625274\nCd In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750284 0.000000 0.750284 In\n0.249716 0.000000 0.249716 In\n0.500000 0.000000 0.500000 Hg\n",
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"density": 0.7004572680600556,
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"volume": 1286.40243819323,
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"formula_full": "Cd1 In2 Hg1",
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{
"id": "mp-1096017",
"created_at": "2022-09-04T14:44:15.956845Z",
"structure_string": "Na1 Hg2 Sb1\n1.0\n-6.044120 6.155135 8.693754\n6.044120 -6.155135 8.693754\n6.044120 6.155135 -8.693754\nNa Hg Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.245599 0.245599 Hg\n0.000000 0.754401 0.754401 Hg\n0.000000 0.500000 0.500000 Sb\n",
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],
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"volume": 1293.7131704298479,
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"formula_full": "Na1 Hg2 Sb1",
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{
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"created_at": "2022-09-04T14:40:25.627485Z",
"structure_string": "Hf2 Fe1 Co1\n1.0\n-4.489832 6.631018 9.382663\n4.489832 -6.631018 9.382663\n4.489832 6.631018 -9.382663\nHf Fe Co\n2 1 1\ndirect\n0.000000 0.249629 0.249629 Hf\n0.000000 0.750371 0.750371 Hf\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n",
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"volume": 1117.3684564871087,
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"spacegroup": 71
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{
"id": "mp-1095966",
"created_at": "2022-09-04T14:46:56.155750Z",
"structure_string": "In1 Cu1 Ni2\n1.0\n-4.727772 5.361188 6.907546\n4.727772 -5.361188 6.907546\n4.727772 5.361188 -6.907546\nIn Cu Ni\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.000000 0.243647 0.243647 Ni\n0.000000 0.756353 0.756353 Ni\n",
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{
"id": "mp-1200545",
"created_at": "2022-09-04T14:39:24.012950Z",
"structure_string": "Li12 Be6 H24\n1.0\n-5.043047 0.955182 -0.264414\n-0.478815 -0.245915 -6.610126\n2.225406 -11.967215 -0.422643\nLi Be H\n12 6 24\ndirect\n0.904213 0.717872 0.780848 Li\n0.916475 0.289806 0.845819 Li\n0.269331 0.272776 0.154325 Li\n0.271664 0.828200 0.141620 Li\n0.697803 0.432569 0.606348 Li\n0.888658 0.059646 0.577241 Li\n0.313842 0.015795 0.824951 Li\n0.435788 0.576399 0.819365 Li\n0.146840 0.234615 0.393528 Li\n0.057323 0.756477 0.414235 Li\n0.820949 0.007850 0.193341 Li\n0.708596 0.573945 0.252708 Li\n0.917652 0.943662 0.953783 Be\n0.080357 0.561256 0.986785 Be\n0.607330 0.308508 0.392675 Be\n0.561434 0.711550 0.435850 Be\n0.539135 0.983861 0.327877 Be\n0.245891 0.551675 0.287980 Be\n0.014998 0.196651 0.716625 H\n0.181714 0.811180 0.740254 H\n0.253177 0.910214 0.598760 H\n0.124768 0.557956 0.650757 H\n0.504734 0.200489 0.064294 H\n0.530796 0.669480 0.079942 H\n0.188165 0.973199 0.951800 H\n0.200654 0.518071 0.898393 H\n0.900992 0.293641 0.465717 H\n0.825248 0.776272 0.498058 H\n0.953379 0.387692 0.004609 H\n0.932494 0.988601 0.067604 H\n0.447827 0.655745 0.521476 H\n0.517745 0.247716 0.492577 H\n0.526094 0.314322 0.076874 H\n0.637032 0.752489 0.096736 H\n0.065587 0.496002 0.347244 H\n0.365993 0.909734 0.390203 H\n0.243970 0.991106 0.550065 H\n0.137002 0.441478 0.667595 H\n0.839533 0.729398 0.930507 H\n0.692014 0.064669 0.858085 H\n0.061238 0.735375 0.224503 H\n0.681566 0.512059 0.748040 H\n",
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"formula_full": "Li12 Be6 H24",
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"formula_anonymous": "AB2C4",
"energy": -132.6004883,
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{
"id": "mp-1097433",
"created_at": "2022-09-04T14:43:19.345301Z",
"structure_string": "Mg1 Ag2 Hg1\n1.0\n-5.461728 5.809668 8.215810\n5.461728 -5.809668 8.215810\n5.461728 5.809668 -8.215810\nMg Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.236808 0.236808 Ag\n0.000000 0.763192 0.763192 Ag\n0.000000 0.500000 0.500000 Hg\n",
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"formula_full": "Mg1 Ag2 Hg1",
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"spacegroup": 71
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{
"id": "mp-1096081",
"created_at": "2022-09-04T14:43:41.146175Z",
"structure_string": "Zr1 Si1 Ru2\n1.0\n-4.524217 5.448720 7.714113\n4.524217 -5.448720 7.714113\n4.524217 5.448720 -7.714113\nZr Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.000000 0.250384 0.250384 Ru\n0.000000 0.749616 0.749616 Ru\n",
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}
]
}