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{
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"structure_string": "Rb8 Au8 C16 N16\n1.0\n4.666327 9.260577 0.000000\n-4.666327 9.260577 0.000000\n0.000000 3.987401 13.297605\nRb Au C N\n8 8 16 16\ndirect\n0.422308 0.227908 0.982695 Rb\n0.772092 0.577692 0.517305 Rb\n0.227908 0.422308 0.482695 Rb\n0.483837 0.010641 0.316290 Rb\n0.577692 0.772092 0.017305 Rb\n0.516163 0.989359 0.683710 Rb\n0.989359 0.516163 0.183710 Rb\n0.010641 0.483837 0.816290 Rb\n0.513007 0.486993 0.750000 Au\n0.135239 0.832184 0.576983 Au\n0.864761 0.167816 0.423017 Au\n0.832184 0.135239 0.076983 Au\n0.099718 0.900282 0.250000 Au\n0.486993 0.513007 0.250000 Au\n0.900282 0.099718 0.750000 Au\n0.167816 0.864761 0.923017 Au\n0.600837 0.584292 0.794847 C\n0.022938 0.225006 0.404674 C\n0.584292 0.600837 0.294847 C\n0.314480 0.860634 0.558153 C\n0.003010 0.219400 0.687732 C\n0.139366 0.685520 0.941847 C\n0.977062 0.774994 0.595326 C\n0.860634 0.314480 0.058153 C\n0.219400 0.003010 0.187732 C\n0.685520 0.139366 0.441847 C\n0.415708 0.399163 0.705153 C\n0.996990 0.780600 0.312268 C\n0.225006 0.022938 0.904674 C\n0.774994 0.977062 0.095326 C\n0.399163 0.415708 0.205153 C\n0.780600 0.996990 0.812268 C\n0.730264 0.892781 0.106054 N\n0.297857 0.054836 0.150393 N\n0.645795 0.649089 0.320859 N\n0.892781 0.730264 0.606054 N\n0.350911 0.354205 0.179141 N\n0.649089 0.645795 0.820859 N\n0.867140 0.426734 0.047471 N\n0.426734 0.867140 0.547471 N\n0.573266 0.132860 0.452529 N\n0.269736 0.107219 0.893946 N\n0.702143 0.945164 0.849607 N\n0.107219 0.269736 0.393946 N\n0.354205 0.350911 0.679141 N\n0.945164 0.702143 0.349607 N\n0.054836 0.297857 0.650393 N\n0.132860 0.573266 0.952529 N\n",
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"formula_full": "Rb8 Au8 C16 N16",
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"spacegroup": 15
},
{
"id": "mp-1041120",
"created_at": "2022-09-04T14:40:17.088924Z",
"structure_string": "Ho2 Zn2 Cr4 O12\n1.0\n5.200117 0.000000 0.000000\n0.000000 5.391066 0.000000\n0.000000 0.000000 7.616145\nHo Zn Cr O\n2 2 4 12\ndirect\n0.013376 0.680870 0.000000 Ho\n0.513376 0.319130 0.500000 Ho\n0.495950 0.219992 0.000000 Zn\n0.995950 0.780008 0.500000 Zn\n0.998074 0.239486 0.748786 Cr\n0.998074 0.239486 0.251214 Cr\n0.498074 0.760514 0.248786 Cr\n0.498074 0.760514 0.751214 Cr\n0.107342 0.186511 0.500000 O\n0.197522 0.941730 0.811182 O\n0.197522 0.941730 0.188818 O\n0.319295 0.443888 0.808728 O\n0.319295 0.443888 0.191272 O\n0.377048 0.715847 0.500000 O\n0.607342 0.813489 0.000000 O\n0.697522 0.058270 0.311182 O\n0.697522 0.058270 0.688818 O\n0.819295 0.556112 0.691272 O\n0.819295 0.556112 0.308728 O\n0.877048 0.284153 0.000000 O\n",
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"elements": [
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"Cr",
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],
"chemical_system": "Cr-Ho-O-Zn",
"density": 6.693536714341393,
"density_atomic": 0.09367140363544588,
"volume": 213.5123337943862,
"volume_molar": 6.429006640529493,
"formula_full": "Ho2 Zn2 Cr4 O12",
"formula_reduced": "HoZnCr2O6",
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"updated_at": "2021-11-28T01:34:59.662000Z",
"spacegroup": 31
},
{
"id": "mp-982004",
"created_at": "2022-09-04T14:40:17.092939Z",
"structure_string": "Sm3 In3 Pd3\n1.0\n3.925984 -6.800004 0.000000\n3.925984 6.800004 0.000000\n0.000000 0.000000 3.876190\nSm In Pd\n3 3 3\ndirect\n0.591646 0.000000 0.500000 Sm\n0.000000 0.591646 0.500000 Sm\n0.408354 0.408354 0.500000 Sm\n0.257256 0.000000 0.000000 In\n0.000000 0.257256 0.000000 In\n0.742744 0.742744 0.000000 In\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 9,
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],
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"formula_full": "Sm3 In3 Pd3",
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},
{
"id": "mp-502",
"created_at": "2022-09-04T14:40:17.094242Z",
"structure_string": "As8 S10\n1.0\n8.477349 0.000000 0.000000\n0.000000 8.093877 0.000000\n0.000000 1.806774 8.061856\nAs S\n8 10\ndirect\n0.019395 0.262473 0.388376 As\n0.519395 0.737527 0.611624 As\n0.980605 0.737527 0.611624 As\n0.480605 0.262473 0.388376 As\n0.750000 0.470644 0.951775 As\n0.250000 0.529356 0.048225 As\n0.750000 0.782733 0.977639 As\n0.250000 0.217267 0.022361 As\n0.750000 0.783641 0.465078 S\n0.250000 0.216359 0.534922 S\n0.042569 0.527615 0.224963 S\n0.542569 0.472385 0.775037 S\n0.957431 0.472385 0.775037 S\n0.457431 0.527615 0.224963 S\n0.038904 0.118220 0.182345 S\n0.538904 0.881780 0.817655 S\n0.461096 0.118220 0.182345 S\n0.961096 0.881780 0.817655 S\n",
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],
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"volume": 553.1611866769994,
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"updated_at": "2021-11-28T01:34:51.703000Z",
"spacegroup": 11
},
{
"id": "mp-1226925",
"created_at": "2022-09-04T14:40:17.095166Z",
"structure_string": "Ce4 Zr2 O12\n1.0\n2.683364 6.032587 0.000000\n-2.683364 6.032587 0.000000\n0.000000 2.451954 7.206706\nCe Zr O\n4 2 12\ndirect\n0.832665 0.167335 0.500000 Ce\n0.839343 0.160657 0.000000 Ce\n0.497293 0.835985 0.667978 Ce\n0.164015 0.502707 0.332022 Ce\n0.502696 0.835862 0.162846 Zr\n0.164138 0.497304 0.837154 Zr\n0.727204 0.593962 0.399055 O\n0.400924 0.236278 0.068707 O\n0.087601 0.885485 0.748922 O\n0.582402 0.403318 0.243315 O\n0.243246 0.080670 0.909626 O\n0.906570 0.748389 0.579247 O\n0.596682 0.417598 0.756685 O\n0.251611 0.093430 0.420753 O\n0.919330 0.756754 0.090374 O\n0.763722 0.599076 0.931293 O\n0.406038 0.272796 0.600945 O\n0.114515 0.912399 0.251078 O\n",
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],
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"spacegroup": 5
},
{
"id": "mp-1196416",
"created_at": "2022-09-04T14:40:17.096024Z",
"structure_string": "Eu24 Si16 B8 O80\n1.0\n0.000000 -7.140278 0.000000\n-9.857016 0.000000 0.000000\n0.000000 0.000000 -23.260441\nEu Si B O\n24 16 8 80\ndirect\n0.821061 0.364594 0.834806 Eu\n0.678939 0.864594 0.165194 Eu\n0.321061 0.635406 0.665194 Eu\n0.178939 0.135406 0.334806 Eu\n0.178939 0.635406 0.165194 Eu\n0.321061 0.135406 0.834806 Eu\n0.678939 0.364594 0.334806 Eu\n0.821061 0.864594 0.665194 Eu\n0.091604 0.768541 0.817537 Eu\n0.408396 0.268541 0.182463 Eu\n0.591604 0.231459 0.682463 Eu\n0.908396 0.731459 0.317537 Eu\n0.908396 0.231459 0.182463 Eu\n0.591604 0.731459 0.817537 Eu\n0.408396 0.768541 0.317537 Eu\n0.091604 0.268541 0.682463 Eu\n0.861976 0.009396 0.927022 Eu\n0.638024 0.509396 0.072978 Eu\n0.361976 0.990604 0.572978 Eu\n0.138024 0.490604 0.427022 Eu\n0.138024 0.990604 0.072978 Eu\n0.361976 0.490604 0.927022 Eu\n0.638024 0.009396 0.427022 Eu\n0.861976 0.509396 0.572978 Eu\n0.857874 0.623041 0.921929 Si\n0.642126 0.123041 0.078071 Si\n0.357874 0.376959 0.578071 Si\n0.142126 0.876959 0.421929 Si\n0.142126 0.376959 0.078071 Si\n0.357874 0.876959 0.921929 Si\n0.642126 0.623041 0.421929 Si\n0.857874 0.123041 0.578071 Si\n0.813962 0.060658 0.778887 Si\n0.686038 0.560658 0.221113 Si\n0.313962 0.939342 0.721113 Si\n0.186038 0.439342 0.278887 Si\n0.186038 0.939342 0.221113 Si\n0.313962 0.439342 0.778887 Si\n0.686038 0.060658 0.278887 Si\n0.813962 0.560658 0.721113 Si\n0.661634 0.254965 0.971607 B\n0.838366 0.754965 0.028393 B\n0.161634 0.745035 0.528393 B\n0.338366 0.245035 0.471607 B\n0.338366 0.745035 0.028393 B\n0.161634 0.245035 0.971607 B\n0.838366 0.254965 0.471607 B\n0.661634 0.754965 0.528393 B\n0.867492 0.098148 0.711367 O\n0.632508 0.598148 0.288633 O\n0.367492 0.901852 0.788633 O\n0.132508 0.401852 0.211367 O\n0.132508 0.901852 0.288633 O\n0.367492 0.401852 0.711367 O\n0.632508 0.098148 0.211367 O\n0.867492 0.598148 0.788633 O\n0.853832 0.774264 0.891201 O\n0.646168 0.274264 0.108799 O\n0.353832 0.225736 0.608799 O\n0.146168 0.725736 0.391201 O\n0.146168 0.225736 0.108799 O\n0.353832 0.725736 0.891201 O\n0.646168 0.774264 0.391201 O\n0.853832 0.274264 0.608799 O\n0.794933 0.394365 0.721726 O\n0.705067 0.894365 0.278274 O\n0.294933 0.605635 0.778274 O\n0.205067 0.105635 0.221726 O\n0.205067 0.605635 0.278274 O\n0.294933 0.105635 0.721726 O\n0.705067 0.394365 0.221726 O\n0.794933 0.894365 0.778274 O\n0.661965 0.137502 0.007067 O\n0.838035 0.637502 0.992933 O\n0.161965 0.862498 0.492933 O\n0.338035 0.362498 0.507067 O\n0.338035 0.862498 0.992933 O\n0.161965 0.362498 0.007067 O\n0.838035 0.137502 0.507067 O\n0.661965 0.637502 0.492933 O\n0.582945 0.372678 0.990349 O\n0.917055 0.872678 0.009651 O\n0.082945 0.627322 0.509651 O\n0.417055 0.127322 0.490349 O\n0.417055 0.627322 0.009651 O\n0.082945 0.127322 0.990349 O\n0.917055 0.372678 0.490349 O\n0.582945 0.872678 0.509651 O\n0.673396 0.547939 0.894205 O\n0.826604 0.047939 0.105795 O\n0.173396 0.452061 0.605795 O\n0.326604 0.952061 0.394205 O\n0.326604 0.452061 0.105795 O\n0.173396 0.952061 0.894205 O\n0.826604 0.547939 0.394205 O\n0.673396 0.047939 0.605795 O\n0.625703 0.154451 0.789054 O\n0.874297 0.654451 0.210946 O\n0.125703 0.845549 0.710946 O\n0.374297 0.345549 0.289054 O\n0.374297 0.845549 0.210946 O\n0.125703 0.345549 0.789054 O\n0.874297 0.154451 0.289054 O\n0.625703 0.654451 0.710946 O\n0.962532 0.108993 0.828077 O\n0.537468 0.608993 0.171923 O\n0.462532 0.891007 0.671923 O\n0.037468 0.391007 0.328077 O\n0.037468 0.891007 0.171923 O\n0.462532 0.391007 0.828077 O\n0.537468 0.108993 0.328077 O\n0.962532 0.608993 0.671923 O\n0.744173 0.240459 0.919007 O\n0.755827 0.740459 0.080993 O\n0.244173 0.759541 0.580993 O\n0.255827 0.259541 0.419007 O\n0.255827 0.759541 0.080993 O\n0.244173 0.259541 0.919007 O\n0.755827 0.240459 0.419007 O\n0.744173 0.740459 0.580993 O\n0.039757 0.536862 0.900639 O\n0.460243 0.036862 0.099361 O\n0.539757 0.463138 0.599361 O\n0.960243 0.963138 0.400639 O\n0.960243 0.463138 0.099361 O\n0.539757 0.963138 0.900639 O\n0.460243 0.536862 0.400639 O\n0.039757 0.036862 0.599361 O\n",
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{
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"structure_string": "Mo2 H8 O10\n1.0\n4.284761 0.000000 0.000000\n1.049832 6.398375 0.000000\n0.054435 0.030053 8.097028\nMo H O\n2 8 10\ndirect\n0.943867 0.015614 0.292056 Mo\n0.051399 0.983133 0.792706 Mo\n0.357414 0.442895 0.944347 H\n0.655175 0.557558 0.445026 H\n0.422750 0.197396 0.302519 H\n0.569324 0.806989 0.824400 H\n0.629537 0.441631 0.071422 H\n0.165962 0.640848 0.168238 H\n0.378250 0.559866 0.571350 H\n0.833093 0.358585 0.664214 H\n0.011167 0.969258 0.008356 O\n0.978292 0.028080 0.507159 O\n0.445905 0.531223 0.022873 O\n0.561319 0.469234 0.521766 O\n0.475516 0.045687 0.282651 O\n0.520820 0.954835 0.789847 O\n0.930593 0.274635 0.223342 O\n0.055793 0.720732 0.263274 O\n0.072036 0.724121 0.723645 O\n0.943623 0.278221 0.759831 O\n",
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{
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{
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{
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{
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"structure_string": "Mg3 Ga3\n1.0\n1.592470 -7.559466 0.000000\n1.592470 7.559466 0.000000\n0.000000 0.000000 5.024098\nMg Ga\n3 3\ndirect\n0.989612 0.010388 0.000000 Mg\n0.675701 0.324299 0.000000 Mg\n0.110865 0.889135 0.500000 Mg\n0.331041 0.668959 0.000000 Ga\n0.441925 0.558075 0.500000 Ga\n0.784189 0.215811 0.500000 Ga\n",
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{
"id": "mp-571246",
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"structure_string": "Ge8 Br32\n1.0\n12.073757 0.000000 0.000000\n0.000000 12.073757 0.000000\n0.000000 0.000000 12.073757\nGe Br\n8 32\ndirect\n0.868472 0.631528 0.368472 Ge\n0.131528 0.368472 0.631528 Ge\n0.368472 0.868472 0.631528 Ge\n0.631528 0.368472 0.868472 Ge\n0.631528 0.131528 0.368472 Ge\n0.368472 0.631528 0.131528 Ge\n0.131528 0.131528 0.131528 Ge\n0.868472 0.868472 0.868472 Ge\n0.485761 0.757998 0.528502 Br\n0.242002 0.028502 0.014239 Br\n0.757998 0.528502 0.485761 Br\n0.242002 0.471498 0.514239 Br\n0.471498 0.985761 0.742002 Br\n0.014239 0.242002 0.028502 Br\n0.514239 0.242002 0.471498 Br\n0.742002 0.471498 0.985761 Br\n0.258332 0.758332 0.741668 Br\n0.028502 0.485761 0.742002 Br\n0.528502 0.485761 0.757998 Br\n0.971498 0.985761 0.757998 Br\n0.758332 0.758332 0.758332 Br\n0.971498 0.514239 0.257998 Br\n0.241668 0.241668 0.241668 Br\n0.528502 0.014239 0.257998 Br\n0.985761 0.742002 0.471498 Br\n0.028502 0.014239 0.242002 Br\n0.741668 0.258332 0.758332 Br\n0.514239 0.257998 0.971498 Br\n0.758332 0.741668 0.258332 Br\n0.257998 0.971498 0.514239 Br\n0.742002 0.028502 0.485761 Br\n0.741668 0.241668 0.258332 Br\n0.985761 0.757998 0.971498 Br\n0.257998 0.528502 0.014239 Br\n0.757998 0.971498 0.985761 Br\n0.471498 0.514239 0.242002 Br\n0.241668 0.258332 0.741668 Br\n0.258332 0.741668 0.241668 Br\n0.485761 0.742002 0.028502 Br\n0.014239 0.257998 0.528502 Br\n",
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}
]
}