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{
"id": "mp-1017418",
"created_at": "2022-09-04T14:40:15.553326Z",
"structure_string": "Cs1 Mg6 Si1\n1.0\n3.805674 -7.599869 0.000000\n3.805674 7.599869 0.000000\n0.000000 0.000000 4.244413\nCs Mg Si\n1 6 1\ndirect\n0.310151 0.689849 0.500000 Cs\n0.147192 0.239326 0.000000 Mg\n0.760674 0.852808 0.000000 Mg\n0.656290 0.343710 0.000000 Mg\n0.311320 0.121524 0.500000 Mg\n0.878476 0.688680 0.500000 Mg\n0.826615 0.173385 0.500000 Mg\n0.109281 0.890719 0.000000 Si\n",
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{
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},
{
"id": "mp-1017436",
"created_at": "2022-09-04T14:41:23.817132Z",
"structure_string": "Mg12 Nb2 Si2\n1.0\n5.069383 0.000000 0.000000\n0.000000 5.747118 0.000000\n0.000000 0.000000 10.892457\nMg Nb Si\n12 2 2\ndirect\n0.500000 0.251223 0.423198 Mg\n0.500000 0.748777 0.423198 Mg\n0.000000 0.744404 0.080961 Mg\n0.000000 0.255596 0.080961 Mg\n0.000000 0.000000 0.322095 Mg\n0.000000 0.500000 0.325194 Mg\n0.500000 0.751223 0.923198 Mg\n0.500000 0.248777 0.923198 Mg\n0.000000 0.244404 0.580961 Mg\n0.000000 0.755596 0.580961 Mg\n0.000000 0.500000 0.822095 Mg\n0.000000 0.000000 0.825194 Mg\n0.500000 0.500000 0.175482 Nb\n0.500000 0.000000 0.675482 Nb\n0.500000 0.000000 0.168907 Si\n0.500000 0.500000 0.668907 Si\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Nb-Si",
"density": 2.792347477251837,
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"formula_full": "Mg12 Nb2 Si2",
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},
{
"id": "mp-1017439",
"created_at": "2022-09-04T14:45:32.462436Z",
"structure_string": "Sr1 Si1 O3\n1.0\n3.698902 0.000000 0.000000\n0.000000 3.698902 0.000000\n0.000000 0.000000 3.698902\nSr Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
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"density": 5.371420069070963,
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"formula_full": "Sr1 Si1 O3",
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{
"id": "mp-1017441",
"created_at": "2022-09-04T14:42:10.820923Z",
"structure_string": "Sr1 Rh1 O3\n1.0\n4.004484 0.000000 0.000000\n0.000000 4.004484 0.000000\n0.000000 0.000000 4.004484\nSr Rh O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 5,
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"density": 6.167951451627042,
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"formula_full": "Sr1 Rh1 O3",
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"updated_at": "2021-11-28T01:35:35.942000Z",
"spacegroup": 221
},
{
"id": "mp-1017442",
"created_at": "2022-09-04T14:48:01.300129Z",
"structure_string": "Ba2 Mg12 Si2\n1.0\n4.950480 0.000000 0.000000\n0.000000 6.087459 0.000000\n0.000000 0.000000 14.270596\nBa Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.202178 Ba\n0.500000 0.000000 0.702178 Ba\n0.500000 0.242406 0.438377 Mg\n0.500000 0.757594 0.438377 Mg\n0.000000 0.755290 0.072970 Mg\n0.000000 0.244710 0.072970 Mg\n0.000000 0.000000 0.303129 Mg\n0.000000 0.500000 0.370960 Mg\n0.500000 0.742406 0.938377 Mg\n0.500000 0.257594 0.938377 Mg\n0.000000 0.255290 0.572970 Mg\n0.000000 0.744710 0.572970 Mg\n0.000000 0.500000 0.803129 Mg\n0.000000 0.000000 0.870960 Mg\n0.500000 0.000000 0.101035 Si\n0.500000 0.500000 0.601035 Si\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.403546437199328,
"density_atomic": 0.03720441770776916,
"volume": 430.0564552757084,
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"formula_full": "Ba2 Mg12 Si2",
"formula_reduced": "BaMg6Si",
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"spacegroup": 38
},
{
"id": "mp-1017446",
"created_at": "2022-09-04T14:41:02.702906Z",
"structure_string": "Hf1 Cd1 O3\n1.0\n4.098109 0.000000 0.000000\n0.000000 4.098109 0.000000\n0.000000 0.000000 4.098109\nHf Cd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.176531700339828,
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"volume": 68.82568084657431,
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"formula_full": "Hf1 Cd1 O3",
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"spacegroup": 221
},
{
"id": "mp-1017447",
"created_at": "2022-09-04T14:41:11.778289Z",
"structure_string": "Hg1 Ge1 O3\n1.0\n3.820310 0.000000 0.000000\n0.000000 3.820310 0.000000\n0.000000 0.000000 3.820310\nHg Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 9.566805527650766,
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"volume": 55.756540033335796,
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"formula_full": "Hg1 Ge1 O3",
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{
"id": "mp-1017451",
"created_at": "2022-09-04T14:42:59.093179Z",
"structure_string": "Mg12 Nb2 Si2\n1.0\n4.817293 0.000000 0.000000\n0.000000 6.250935 0.000000\n0.000000 0.000000 10.613758\nMg Nb Si\n12 2 2\ndirect\n0.000000 0.254365 0.086318 Mg\n0.000000 0.745635 0.086318 Mg\n0.000000 0.500000 0.833751 Mg\n0.500000 0.247043 0.919258 Mg\n0.500000 0.752957 0.919258 Mg\n0.500000 0.500000 0.667806 Mg\n0.000000 0.754365 0.586318 Mg\n0.000000 0.245635 0.586318 Mg\n0.000000 0.000000 0.333751 Mg\n0.500000 0.747043 0.419258 Mg\n0.500000 0.252957 0.419258 Mg\n0.500000 0.000000 0.167806 Mg\n0.500000 0.500000 0.179255 Nb\n0.500000 0.000000 0.679255 Nb\n0.000000 0.500000 0.308036 Si\n0.000000 0.000000 0.808036 Si\n",
"nsites": 16,
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{
"id": "mp-1017452",
"created_at": "2022-09-04T14:44:41.621683Z",
"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.644786 -0.115428 0.000000\n-3.422356 5.696838 0.000000\n0.000000 0.000000 4.885506\nCe Mg Nb\n1 6 1\ndirect\n0.199831 0.300169 0.250000 Ce\n0.185979 0.829803 0.250000 Mg\n0.670197 0.314021 0.250000 Mg\n0.666309 0.833691 0.250000 Mg\n0.328804 0.682926 0.750000 Mg\n0.817074 0.171196 0.750000 Mg\n0.827525 0.672475 0.750000 Mg\n0.304280 0.195720 0.750000 Nb\n",
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{
"id": "mp-1017453",
"created_at": "2022-09-04T14:39:25.880912Z",
"structure_string": "Ce2 Mg12 Cr2\n1.0\n5.035373 0.000000 0.000000\n0.000000 6.522096 0.000000\n0.000000 0.000000 11.411737\nCe Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.322324 Ce\n0.000000 0.000000 0.822324 Ce\n0.000000 0.738682 0.078448 Mg\n0.000000 0.261318 0.078448 Mg\n0.000000 0.000000 0.338190 Mg\n0.500000 0.241393 0.423696 Mg\n0.500000 0.758607 0.423696 Mg\n0.500000 0.000000 0.167459 Mg\n0.000000 0.238682 0.578448 Mg\n0.000000 0.761318 0.578448 Mg\n0.000000 0.500000 0.838190 Mg\n0.500000 0.741392 0.923696 Mg\n0.500000 0.258608 0.923696 Mg\n0.500000 0.500000 0.667459 Mg\n0.500000 0.500000 0.167739 Cr\n0.500000 0.000000 0.667739 Cr\n",
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},
{
"id": "mp-1017454",
"created_at": "2022-09-04T14:45:41.075774Z",
"structure_string": "Ce2 Mg12 Sb2\n1.0\n5.274586 0.000000 0.000000\n0.000000 6.310148 0.000000\n0.000000 0.000000 11.915190\nCe Mg Sb\n2 12 2\ndirect\n0.500000 0.500000 0.673710 Ce\n0.500000 0.000000 0.173710 Ce\n0.500000 0.748138 0.921028 Mg\n0.500000 0.251862 0.921028 Mg\n0.000000 0.250919 0.573821 Mg\n0.000000 0.749081 0.573821 Mg\n0.000000 0.500000 0.838059 Mg\n0.000000 0.000000 0.831663 Mg\n0.500000 0.248138 0.421028 Mg\n0.500000 0.751862 0.421028 Mg\n0.000000 0.750919 0.073821 Mg\n0.000000 0.249081 0.073821 Mg\n0.000000 0.000000 0.338059 Mg\n0.000000 0.500000 0.331663 Mg\n0.500000 0.000000 0.666866 Sb\n0.500000 0.500000 0.166866 Sb\n",
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}
]
}