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{
"id": "mp-568381",
"created_at": "2022-09-04T14:40:17.086641Z",
"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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"updated_at": "2021-11-28T01:34:53.201000Z",
"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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],
"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",
"formula_anonymous": "ABC2D6",
"energy": -159.69847388000002,
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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",
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],
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"volume": 206.9630166679354,
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"formula_full": "Sm3 In3 Pd3",
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"updated_at": "2021-11-28T01:34:49.072000Z",
"spacegroup": 189
},
{
"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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"formula_full": "Eu24 Si16 B8 O80",
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"spacegroup": 61
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{
"id": "mp-862714",
"created_at": "2022-09-04T14:40:35.748764Z",
"structure_string": "Be3 Ir1\n1.0\n-1.638054 1.638054 3.630538\n1.638054 -1.638054 3.630538\n1.638054 1.638054 -3.630538\nBe Ir\n3 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "mp-1112434",
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"structure_string": "K2 As1 Au1 Cl6\n1.0\n0.000000 5.194412 5.194412\n5.194412 0.000000 5.194412\n5.194412 5.194412 0.000000\nK As Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.757390 0.242610 0.242610 Cl\n0.242610 0.242610 0.757390 Cl\n0.242610 0.757390 0.757390 Cl\n0.242610 0.757390 0.242610 Cl\n0.757390 0.242610 0.757390 Cl\n0.757390 0.757390 0.242610 Cl\n",
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{
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{
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