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{
"id": "mp-877768",
"created_at": "2022-09-04T14:40:09.876554Z",
"structure_string": "Mn10 Cr6 O32\n1.0\n5.834219 0.000000 0.000000\n-2.913009 5.062268 0.000000\n-0.025453 -3.355016 19.065310\nMn Cr O\n10 6 32\ndirect\n0.125041 0.000074 0.624989 Mn\n0.374903 0.999996 0.875048 Mn\n0.499919 0.999834 0.999987 Mn\n0.249256 0.999322 0.750252 Mn\n0.874985 0.999920 0.875027 Mn\n0.000859 0.000916 0.499744 Mn\n0.375089 0.000883 0.375082 Mn\n0.124833 0.999030 0.124919 Mn\n0.875657 0.000840 0.375057 Mn\n0.624302 0.999048 0.124919 Mn\n0.874613 0.499686 0.875069 Cr\n0.625131 0.000128 0.624987 Cr\n0.625100 0.500088 0.624946 Cr\n0.374993 0.500034 0.375182 Cr\n0.750035 0.000088 0.249993 Cr\n0.125396 0.500194 0.124757 Cr\n0.462757 0.233250 0.933814 O\n0.902384 0.232881 0.933920 O\n0.957152 0.766013 0.926091 O\n0.846723 0.766654 0.816331 O\n0.286816 0.766430 0.816328 O\n0.285536 0.204683 0.816380 O\n0.464081 0.795402 0.933798 O\n0.212205 0.795935 0.684293 O\n0.403346 0.234127 0.433702 O\n0.650788 0.233620 0.684144 O\n0.792745 0.233851 0.823959 O\n0.541713 0.233235 0.574164 O\n0.708408 0.766907 0.675768 O\n0.037920 0.204255 0.565716 O\n0.787109 0.767658 0.316561 O\n0.037552 0.767209 0.566208 O\n0.212733 0.233089 0.683725 O\n0.963709 0.234218 0.433717 O\n0.964238 0.795279 0.433834 O\n0.292875 0.233872 0.323798 O\n0.347791 0.767847 0.316473 O\n0.457636 0.766650 0.425933 O\n0.206991 0.765830 0.176167 O\n0.599393 0.766679 0.565791 O\n0.535945 0.204515 0.066051 O\n0.784992 0.204721 0.317168 O\n0.712846 0.232301 0.183451 O\n0.715025 0.795190 0.182790 O\n0.042390 0.233519 0.074132 O\n0.152237 0.231928 0.183544 O\n0.097486 0.766280 0.066100 O\n0.536363 0.765888 0.066196 O\n",
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"formula_full": "Mn10 Cr6 O32",
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},
{
"id": "mp-1041889",
"created_at": "2022-09-04T14:40:09.899741Z",
"structure_string": "Mg2 Mo4 O8\n1.0\n-3.032014 3.062621 4.771138\n3.032014 -3.062621 4.771138\n3.032014 3.062621 -4.771138\nMg Mo O\n2 4 8\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.621489 0.871489 0.750000 Mo\n0.378511 0.128511 0.250000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.778250 0.273795 0.504455 O\n0.222327 0.724308 0.001981 O\n0.269340 0.273795 0.995545 O\n0.222327 0.220347 0.498019 O\n0.777673 0.779653 0.501981 O\n0.777673 0.275692 0.998019 O\n0.730660 0.726205 0.004455 O\n0.221750 0.726205 0.495545 O\n",
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"density": 5.2506591449099576,
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"volume": 177.21742746625756,
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"formula_full": "Mg2 Mo4 O8",
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"energy": -113.93846241,
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},
{
"id": "mp-1358877",
"created_at": "2022-09-04T14:40:09.857687Z",
"structure_string": "Al8 Co6 O24\n1.0\n2.874788 4.981197 0.000000\n-2.874788 4.981197 0.000000\n0.000000 0.083708 13.908935\nAl Co O\n8 6 24\ndirect\n0.832893 0.335752 0.791393 Al\n0.833203 0.833203 0.792732 Al\n0.335752 0.832893 0.791393 Al\n0.161726 0.669141 0.461634 Al\n0.669141 0.161726 0.461634 Al\n0.504447 0.000151 0.123537 Al\n0.334169 0.334169 0.291578 Al\n0.000151 0.504447 0.123537 Al\n0.008890 0.008890 0.999732 Co\n0.335843 0.335843 0.673480 Co\n0.664683 0.664683 0.953431 Co\n0.665673 0.665673 0.576385 Co\n0.671201 0.671201 0.332348 Co\n0.998100 0.998100 0.253814 Co\n0.951393 0.524308 0.868461 O\n0.668298 0.668298 0.711739 O\n0.522569 0.522569 0.867859 O\n0.524308 0.951393 0.868461 O\n0.162583 0.673838 0.721594 O\n0.346007 0.809879 0.536297 O\n0.165393 0.165393 0.720425 O\n0.991465 0.991465 0.387047 O\n0.839470 0.839470 0.532348 O\n0.000197 0.000197 0.860355 O\n0.809879 0.346007 0.536297 O\n0.673838 0.162583 0.721594 O\n0.645281 0.157185 0.211459 O\n0.510167 0.024469 0.372389 O\n0.482939 0.482939 0.378718 O\n0.322310 0.322310 0.055957 O\n0.349076 0.349076 0.539868 O\n0.180603 0.180603 0.207510 O\n0.157185 0.645281 0.211459 O\n0.024469 0.510167 0.372389 O\n0.849537 0.361186 0.037224 O\n0.822150 0.822150 0.045990 O\n0.680707 0.680707 0.201137 O\n0.361186 0.849537 0.037224 O\n",
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"formula_full": "Al8 Co6 O24",
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"spacegroup": 8
},
{
"id": "mp-1097625",
"created_at": "2022-09-04T14:40:09.868939Z",
"structure_string": "Ti1 Nb2 W1\n1.0\n-4.625593 5.486649 7.762688\n4.625593 -5.486649 7.762688\n4.625593 5.486649 -7.762688\nTi Nb W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.251626 0.251626 Nb\n0.000000 0.748374 0.748374 Nb\n0.000000 0.500000 0.500000 W\n",
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],
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"density": 0.8797907959761264,
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"formula_full": "Ti1 Nb2 W1",
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"formula_anonymous": "ABC2",
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{
"id": "mp-1198181",
"created_at": "2022-09-04T14:40:09.905816Z",
"structure_string": "Zn2 H28 C4 N20 Cl4 O12\n1.0\n7.974069 0.000000 0.000000\n0.000000 13.258482 0.000000\n-3.889654 0.000000 7.158630\nZn H C N Cl O\n2 28 4 20 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.637912 0.844925 0.103025 H\n0.637912 0.655075 0.603025 H\n0.362088 0.155075 0.896975 H\n0.362088 0.344925 0.396975 H\n0.739107 0.055492 0.406458 H\n0.739107 0.444508 0.906458 H\n0.260893 0.944508 0.593542 H\n0.260893 0.555492 0.093542 H\n0.578156 0.954230 0.303106 H\n0.578156 0.545770 0.803106 H\n0.421844 0.045770 0.696894 H\n0.421844 0.454230 0.196894 H\n0.898141 0.816273 0.041100 H\n0.898141 0.683727 0.541100 H\n0.101859 0.183727 0.958900 H\n0.101859 0.316273 0.458900 H\n0.719411 0.866103 0.853849 H\n0.719411 0.633897 0.353849 H\n0.280589 0.133897 0.146151 H\n0.280589 0.366103 0.646151 H\n0.592337 0.289614 0.344756 H\n0.592337 0.210386 0.844756 H\n0.407663 0.710386 0.655244 H\n0.407663 0.789614 0.155244 H\n0.569704 0.211141 0.479816 H\n0.569704 0.288859 0.979816 H\n0.430296 0.788859 0.520184 H\n0.430296 0.711141 0.020184 H\n0.776308 0.981790 0.210466 C\n0.776308 0.518210 0.710466 C\n0.223692 0.018210 0.789534 C\n0.223692 0.481790 0.289534 C\n0.819026 0.881244 0.989349 N\n0.819026 0.618756 0.489349 N\n0.180974 0.118756 0.010651 N\n0.180974 0.381244 0.510651 N\n0.723073 0.902469 0.092940 N\n0.723073 0.597531 0.592940 N\n0.276927 0.097531 0.907060 N\n0.276927 0.402469 0.407060 N\n0.694858 0.995135 0.318542 N\n0.694858 0.504865 0.818542 N\n0.305142 0.004865 0.681458 N\n0.305142 0.495135 0.181458 N\n0.911102 0.042890 0.203569 N\n0.911102 0.457110 0.703569 N\n0.088898 0.957110 0.796431 N\n0.088898 0.542890 0.296431 N\n0.973651 0.126741 0.310690 N\n0.973651 0.373259 0.810690 N\n0.026349 0.873259 0.689310 N\n0.026349 0.626741 0.189310 N\n0.299353 0.901189 0.265329 Cl\n0.299353 0.598811 0.765329 Cl\n0.700647 0.098811 0.734671 Cl\n0.700647 0.401189 0.234671 Cl\n0.088736 0.179909 0.285106 O\n0.088736 0.320091 0.785106 O\n0.911264 0.820091 0.714894 O\n0.911264 0.679909 0.214894 O\n0.922537 0.149931 0.429688 O\n0.922537 0.350069 0.929688 O\n0.077463 0.850069 0.570312 O\n0.077463 0.649931 0.070312 O\n0.497118 0.252340 0.367379 O\n0.497118 0.247660 0.867379 O\n0.502882 0.747660 0.632621 O\n0.502882 0.752340 0.132621 O\n",
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"formula_full": "Zn2 H28 C4 N20 Cl4 O12",
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{
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"structure_string": "Ba6 Y4 I24\n1.0\n13.318418 0.000000 0.000000\n0.000000 13.318418 0.000000\n0.000000 0.000000 8.013212\nBa Y I\n6 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.681836 0.181836 0.500000 Ba\n0.181836 0.318164 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.818164 0.681836 0.500000 Ba\n0.318164 0.818164 0.500000 Ba\n0.363400 0.136600 0.000000 Y\n0.863400 0.363400 0.000000 Y\n0.136600 0.636600 0.000000 Y\n0.636600 0.863400 0.000000 Y\n0.500000 0.000000 0.239511 I\n0.500000 0.000000 0.760489 I\n0.214345 0.052065 0.264285 I\n0.214345 0.052065 0.735715 I\n0.700234 0.200234 0.000000 I\n0.947935 0.214345 0.264285 I\n0.947935 0.214345 0.735715 I\n0.447935 0.285655 0.264285 I\n0.447935 0.285655 0.735715 I\n0.200234 0.299766 0.000000 I\n0.714345 0.447935 0.264285 I\n0.714345 0.447935 0.735715 I\n0.000000 0.500000 0.760489 I\n0.000000 0.500000 0.239511 I\n0.285655 0.552065 0.264285 I\n0.285655 0.552065 0.735715 I\n0.799766 0.700234 0.000000 I\n0.552065 0.714345 0.264285 I\n0.552065 0.714345 0.735715 I\n0.052065 0.785655 0.264285 I\n0.052065 0.785655 0.735715 I\n0.299766 0.799766 0.000000 I\n0.785655 0.947935 0.264285 I\n0.785655 0.947935 0.735715 I\n",
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{
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"structure_string": "Ti4 Mn2 Ni2 O12\n1.0\n-2.566720 -4.445591 0.000005\n5.133460 0.000019 0.000002\n-0.000003 2.963707 9.461977\nTi Mn Ni O\n4 2 2 12\ndirect\n0.856140 0.428075 0.284226 Ti\n0.856123 0.928064 0.784197 Ti\n0.145604 0.072800 0.218415 Ti\n0.145583 0.572791 0.718375 Ti\n0.357188 0.178587 0.535733 Mn\n0.357122 0.678550 0.035685 Mn\n0.648553 0.824278 0.472848 Ni\n0.648558 0.324275 0.972864 Ni\n0.436851 0.343502 0.129982 O\n0.436855 0.843462 0.629997 O\n0.036650 0.693149 0.129980 O\n0.036637 0.193173 0.629999 O\n0.786503 0.093356 0.129981 O\n0.786555 0.593388 0.630000 O\n0.562767 0.136619 0.366280 O\n0.562752 0.636607 0.866283 O\n0.940114 0.803495 0.366282 O\n0.940126 0.303523 0.866284 O\n0.229656 0.426154 0.366292 O\n0.229663 0.926150 0.866293 O\n",
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{
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{
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