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{
"id": "mp-1021545",
"created_at": "2022-09-04T14:48:27.000163Z",
"structure_string": "Ce2 Mg12 Ti2\n1.0\n4.955898 0.000000 0.000000\n0.000000 6.448535 0.000000\n0.000000 0.000000 11.601368\nCe Mg Ti\n2 12 2\ndirect\n0.500000 0.500000 0.194563 Ce\n0.500000 0.000000 0.694563 Ce\n0.000000 0.753115 0.074438 Mg\n0.000000 0.246885 0.074438 Mg\n0.000000 0.000000 0.325921 Mg\n0.500000 0.257747 0.427294 Mg\n0.500000 0.742253 0.427294 Mg\n0.500000 0.000000 0.167061 Mg\n0.000000 0.253115 0.574438 Mg\n0.000000 0.746885 0.574438 Mg\n0.000000 0.500000 0.825921 Mg\n0.500000 0.757747 0.927294 Mg\n0.500000 0.242253 0.927294 Mg\n0.500000 0.500000 0.667061 Mg\n0.000000 0.500000 0.308991 Ti\n0.000000 0.000000 0.808991 Ti\n",
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{
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"formula_full": "Al10 Cu6 O21",
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"spacegroup": 8
},
{
"id": "mp-1112113",
"created_at": "2022-09-04T14:48:20.543065Z",
"structure_string": "Cs2 Rb1 Y1 Br6\n1.0\n0.000000 6.086126 6.086126\n6.086126 0.000000 6.086126\n6.086126 6.086126 0.000000\nCs Rb Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.769941 0.230059 0.230059 Br\n0.230059 0.230059 0.769941 Br\n0.230059 0.769941 0.769941 Br\n0.230059 0.769941 0.230059 Br\n0.769941 0.230059 0.769941 Br\n0.769941 0.769941 0.230059 Br\n",
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"volume": 450.87153047510805,
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"formula_full": "Cs2 Rb1 Y1 Br6",
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{
"id": "mp-1216359",
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"structure_string": "Y4 Cu19 Pb1\n1.0\n-3.577272 -3.577272 0.000000\n0.000000 3.577272 -3.577272\n6.998401 -10.575673 -10.575673\nY Cu Pb\n4 19 1\ndirect\n0.000826 0.500413 0.498761 Y\n0.507854 0.753927 0.738219 Y\n0.991665 0.995833 0.012502 Y\n0.496939 0.248469 0.254592 Y\n0.873468 0.936734 0.189798 Cu\n0.374133 0.187067 0.438800 Cu\n0.874444 0.437222 0.688334 Cu\n0.432606 0.465674 0.101720 Cu\n0.934472 0.720326 0.345202 Cu\n0.437355 0.973226 0.589420 Cu\n0.939932 0.222168 0.837899 Cu\n0.432606 0.966932 0.101720 Cu\n0.934472 0.214146 0.345202 Cu\n0.437355 0.464129 0.589420 Cu\n0.939932 0.717764 0.837899 Cu\n0.185626 0.592813 0.221562 Cu\n0.689143 0.844571 0.466286 Cu\n0.191396 0.095698 0.712906 Cu\n0.686512 0.343256 0.970232 Cu\n0.931348 0.465674 0.101720 Cu\n0.440652 0.720326 0.345202 Cu\n0.946452 0.973226 0.589420 Cu\n0.444337 0.222168 0.837899 Cu\n0.376477 0.688239 0.935284 Pb\n",
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"density": 8.160041614992762,
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"formula_full": "Y4 Cu19 Pb1",
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},
{
"id": "mp-779312",
"created_at": "2022-09-04T14:48:21.999329Z",
"structure_string": "Li8 Mn4 B8 O24\n1.0\n14.607426 0.000000 0.000000\n0.000000 3.002552 0.000000\n0.000000 0.408351 9.148298\nLi Mn B O\n8 4 8 24\ndirect\n0.040145 0.723334 0.887851 Li\n0.252367 0.698298 0.893098 Li\n0.459855 0.723334 0.387851 Li\n0.247633 0.698298 0.393098 Li\n0.752367 0.301702 0.606902 Li\n0.540145 0.276666 0.612149 Li\n0.747633 0.301702 0.106902 Li\n0.959855 0.276666 0.112149 Li\n0.632493 0.821774 0.877102 Mn\n0.867507 0.821774 0.377102 Mn\n0.132493 0.178226 0.622898 Mn\n0.367507 0.178226 0.122898 Mn\n0.423774 0.844127 0.839007 B\n0.842594 0.855112 0.895215 B\n0.076226 0.844127 0.339007 B\n0.657406 0.855112 0.395215 B\n0.342594 0.144888 0.604785 B\n0.923774 0.155873 0.660993 B\n0.157406 0.144888 0.104785 B\n0.576226 0.155873 0.160993 B\n0.347646 0.983689 0.754631 O\n0.509586 0.841455 0.787797 O\n0.152354 0.983689 0.254631 O\n0.754885 0.815712 0.958406 O\n0.990414 0.841455 0.287797 O\n0.745115 0.815712 0.458406 O\n0.915190 0.744877 0.975457 O\n0.399647 0.709894 0.983772 O\n0.158586 0.666668 0.743439 O\n0.584810 0.744877 0.475457 O\n0.100353 0.709894 0.483772 O\n0.341414 0.666668 0.243439 O\n0.658586 0.333332 0.756561 O\n0.899647 0.290106 0.516228 O\n0.415190 0.255123 0.524543 O\n0.841414 0.333332 0.256561 O\n0.600353 0.290106 0.016228 O\n0.084810 0.255123 0.024543 O\n0.254885 0.184288 0.541594 O\n0.009586 0.158545 0.712203 O\n0.245115 0.184288 0.041594 O\n0.847646 0.016311 0.745369 O\n0.490414 0.158545 0.212203 O\n0.652354 0.016311 0.245369 O\n",
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{
"id": "mp-1106347",
"created_at": "2022-09-04T14:48:23.668099Z",
"structure_string": "Th2 B8 Rh8\n1.0\n5.392304 0.000000 0.000000\n0.000000 5.392304 0.000000\n0.000000 0.000000 7.622436\nTh B Rh\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Th\n0.833875 0.500000 0.152091 B\n0.166125 0.500000 0.152091 B\n0.000000 0.333875 0.652091 B\n0.000000 0.666125 0.652091 B\n0.666125 0.000000 0.347909 B\n0.333875 0.000000 0.347909 B\n0.500000 0.166125 0.847909 B\n0.500000 0.833875 0.847909 B\n0.249538 0.500000 0.855219 Rh\n0.750462 0.500000 0.855219 Rh\n0.000000 0.749538 0.355219 Rh\n0.000000 0.250462 0.355219 Rh\n0.250462 0.000000 0.644781 Rh\n0.749538 0.000000 0.644781 Rh\n0.500000 0.750462 0.144781 Rh\n0.500000 0.249538 0.144781 Rh\n",
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{
"id": "mp-1208411",
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"structure_string": "Ti6 Tl2 Si4 P12 O50\n1.0\n4.175572 -7.232303 0.000000\n4.175572 7.232303 0.000000\n0.000000 0.000000 17.390381\nTi Tl Si P O\n6 2 4 12 50\ndirect\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n0.666667 0.333333 0.523501 Ti\n0.333333 0.666667 0.476499 Ti\n0.666667 0.333333 0.976499 Ti\n0.333333 0.666667 0.023501 Ti\n0.666667 0.333333 0.750000 Tl\n0.333333 0.666667 0.250000 Tl\n0.000000 0.000000 0.591925 Si\n0.000000 0.000000 0.408075 Si\n0.000000 0.000000 0.908075 Si\n0.000000 0.000000 0.091925 Si\n0.332189 0.382525 0.609596 P\n0.667811 0.617475 0.390404 P\n0.617475 0.949665 0.609596 P\n0.332189 0.949665 0.890404 P\n0.382525 0.050335 0.390404 P\n0.667811 0.050335 0.109596 P\n0.050335 0.667811 0.609596 P\n0.617475 0.667811 0.890404 P\n0.949665 0.332189 0.390404 P\n0.382525 0.332189 0.109596 P\n0.050335 0.382525 0.890404 P\n0.949665 0.617475 0.109596 P\n0.833264 0.029063 0.624954 O\n0.166736 0.970937 0.375046 O\n0.970937 0.804201 0.624954 O\n0.833264 0.804201 0.875046 O\n0.029063 0.195799 0.375046 O\n0.166736 0.195799 0.124954 O\n0.195799 0.166736 0.624954 O\n0.970937 0.166736 0.875046 O\n0.804201 0.833264 0.375046 O\n0.029063 0.833264 0.124954 O\n0.195799 0.029063 0.875046 O\n0.804201 0.970937 0.124954 O\n0.339281 0.475364 0.685955 O\n0.660719 0.524636 0.314045 O\n0.524636 0.863917 0.685955 O\n0.339281 0.863917 0.814045 O\n0.475364 0.136083 0.314045 O\n0.660719 0.136083 0.185955 O\n0.136083 0.660719 0.685955 O\n0.524636 0.660719 0.814045 O\n0.863917 0.339281 0.314045 O\n0.475364 0.339281 0.185955 O\n0.136083 0.475364 0.814045 O\n0.863917 0.524636 0.185955 O\n0.595948 0.117958 0.591953 O\n0.404052 0.882042 0.408047 O\n0.882042 0.477990 0.591953 O\n0.595948 0.477990 0.908047 O\n0.117958 0.522010 0.408047 O\n0.404052 0.522010 0.091953 O\n0.522010 0.404052 0.591953 O\n0.882042 0.404052 0.908047 O\n0.477990 0.595948 0.408047 O\n0.117958 0.595948 0.091953 O\n0.522010 0.117958 0.908047 O\n0.477990 0.882042 0.091953 O\n0.255494 0.444466 0.543229 O\n0.744506 0.555534 0.456771 O\n0.555534 0.811028 0.543229 O\n0.255494 0.811028 0.956771 O\n0.444466 0.188972 0.456771 O\n0.744506 0.188972 0.043229 O\n0.188972 0.744506 0.543229 O\n0.555534 0.744506 0.956771 O\n0.811028 0.255494 0.456771 O\n0.444466 0.255494 0.043229 O\n0.188972 0.444466 0.956771 O\n0.811028 0.555534 0.043229 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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{
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{
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"formula_full": "Zr1 Al1 Ru2",
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},
{
"id": "mp-18759",
"created_at": "2022-09-04T14:48:26.250699Z",
"structure_string": "Mn6 O8\n1.0\n-1.411225 5.010316 -2.713619\n-0.005231 -0.015119 6.348054\n5.212233 0.001971 -2.707051\nMn O\n6 8\ndirect\n0.374136 0.249108 0.623737 Mn\n0.625867 0.750903 0.376265 Mn\n0.499997 0.999997 0.999996 Mn\n0.000004 0.499999 0.000001 Mn\n0.999997 0.999997 0.999999 Mn\n0.000005 0.500006 0.500001 Mn\n0.786014 0.516723 0.758504 O\n0.240770 0.983639 0.213991 O\n0.759146 0.016228 0.230767 O\n0.759229 0.016358 0.786008 O\n0.771278 0.484118 0.241929 O\n0.213985 0.483274 0.241496 O\n0.228720 0.515880 0.758071 O\n0.240853 0.983771 0.769233 O\n",
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"formula_full": "Mn6 O8",
"formula_reduced": "Mn3O4",
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"spacegroup": 141
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{
"id": "mp-1390662",
"created_at": "2022-09-04T14:48:19.674539Z",
"structure_string": "Sb4 Xe2 F28\n1.0\n-8.228957 0.000000 0.000000\n3.204310 7.867667 0.000000\n-0.080843 -4.041039 -8.943055\nSb Xe F\n4 2 28\ndirect\n0.205784 0.359983 0.770736 Sb\n0.794216 0.640017 0.229264 Sb\n0.508976 0.126363 0.708431 Sb\n0.491024 0.873637 0.291569 Sb\n0.192335 0.294422 0.258859 Xe\n0.807665 0.705578 0.741141 Xe\n0.122175 0.376291 0.571607 F\n0.877825 0.623709 0.428393 F\n0.410525 0.562919 0.705653 F\n0.589475 0.437081 0.294347 F\n0.345251 0.889285 0.764315 F\n0.654749 0.110715 0.235685 F\n0.648814 0.805951 0.216849 F\n0.351186 0.194049 0.783151 F\n0.651023 0.803769 0.485777 F\n0.348977 0.196231 0.514223 F\n0.364014 0.618542 0.360713 F\n0.635986 0.381458 0.639287 F\n0.682865 0.681190 0.027827 F\n0.317135 0.318810 0.972173 F\n0.350846 0.921842 0.100487 F\n0.649154 0.078158 0.899513 F\n0.975597 0.862631 0.160785 F\n0.024403 0.137369 0.839215 F\n0.921707 0.487012 0.241213 F\n0.078293 0.512988 0.758787 F\n0.355445 0.938094 0.369613 F\n0.644555 0.061906 0.630387 F\n0.004624 0.722869 0.905663 F\n0.995376 0.277131 0.094337 F\n0.957326 0.957283 0.633261 F\n0.042674 0.042717 0.366739 F\n0.719057 0.456324 0.897723 F\n0.280943 0.543676 0.102277 F\n",
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"formula_full": "Sb4 Xe2 F28",
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]
}