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{
"id": "mp-766094",
"created_at": "2022-09-04T14:43:40.845980Z",
"structure_string": "Nb4 O8 F4\n1.0\n5.184926 0.000000 0.000000\n0.000000 5.422124 0.000000\n0.000000 0.000000 9.031853\nNb O F\n4 8 4\ndirect\n0.151438 0.636806 0.129448 Nb\n0.348562 0.363194 0.629448 Nb\n0.651438 0.863194 0.870552 Nb\n0.848562 0.136806 0.370552 Nb\n0.058705 0.904276 0.252676 O\n0.954219 0.657157 0.961560 O\n0.545781 0.342843 0.461560 O\n0.441295 0.095724 0.752676 O\n0.558705 0.595724 0.747324 O\n0.454219 0.842843 0.038440 O\n0.045781 0.157157 0.538440 O\n0.941295 0.404276 0.247324 O\n0.089425 0.622692 0.622413 F\n0.410575 0.377308 0.122413 F\n0.589425 0.877308 0.377587 F\n0.910575 0.122692 0.877587 F\n",
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{
"id": "mp-759826",
"created_at": "2022-09-04T14:43:40.926679Z",
"structure_string": "Li12 Mn4 P8 O32\n1.0\n0.000124 5.899965 -0.000098\n0.136839 0.000161 -9.589710\n-10.087570 -0.000137 -4.480836\nLi Mn P O\n12 4 8 32\ndirect\n0.750000 0.982771 0.935246 Li\n0.749999 0.482779 0.935241 Li\n0.250002 0.017245 0.064749 Li\n0.250004 0.517240 0.064744 Li\n0.749999 0.859547 0.773734 Li\n0.749996 0.359547 0.773729 Li\n0.250002 0.140468 0.226280 Li\n0.250006 0.640444 0.226283 Li\n0.999996 0.000015 0.500005 Li\n0.999995 0.499982 0.500005 Li\n0.500009 0.000013 0.500008 Li\n0.500009 0.499980 0.500008 Li\n0.250003 0.657948 0.721846 Mn\n0.749976 0.842099 0.278100 Mn\n0.250019 0.157872 0.721951 Mn\n0.749990 0.341996 0.278172 Mn\n0.249975 0.855460 0.899582 P\n0.249979 0.355521 0.899576 P\n0.750014 0.144512 0.100415 P\n0.750008 0.644500 0.100428 P\n0.750007 0.741708 0.586280 P\n0.750016 0.241695 0.586318 P\n0.249998 0.258291 0.413733 P\n0.249989 0.758316 0.413668 P\n0.749990 0.681048 0.953018 O\n0.749985 0.181042 0.953013 O\n0.250014 0.318962 0.046980 O\n0.250017 0.818939 0.046977 O\n0.250006 0.700803 0.880116 O\n0.250004 0.200787 0.880235 O\n0.749993 0.299220 0.119799 O\n0.749998 0.799235 0.119782 O\n0.750005 0.085423 0.583138 O\n0.750006 0.585420 0.583135 O\n0.250000 0.914577 0.416879 O\n0.250000 0.414580 0.416871 O\n0.250000 0.124739 0.556858 O\n0.249997 0.624739 0.556779 O\n0.750002 0.875257 0.443149 O\n0.750006 0.375231 0.443178 O\n0.040436 0.956122 0.829627 O\n0.040432 0.456157 0.829588 O\n0.459490 0.956146 0.829606 O\n0.459503 0.456177 0.829569 O\n0.540487 0.043853 0.170417 O\n0.540473 0.543852 0.170418 O\n0.959559 0.043865 0.170405 O\n0.959556 0.543855 0.170410 O\n0.542509 0.778577 0.656660 O\n0.542501 0.278567 0.656682 O\n0.957521 0.778566 0.656668 O\n0.957549 0.278549 0.656693 O\n0.042511 0.221433 0.343324 O\n0.042454 0.721457 0.343296 O\n0.457480 0.221422 0.343333 O\n0.457518 0.721442 0.343306 O\n",
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"formula_full": "Li12 Mn4 P8 O32",
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"spacegroup": 11
},
{
"id": "mp-743617",
"created_at": "2022-09-04T14:43:23.732714Z",
"structure_string": "K4 Mn4 H16 Cl12 O8\n1.0\n2.618955 6.254726 -3.450351\n-9.213291 6.272561 1.758264\n2.703361 6.257120 6.476914\nK Mn H Cl O\n4 4 16 12 8\ndirect\n0.716567 0.637346 0.804279 K\n0.217150 0.137563 0.804188 K\n0.283208 0.362520 0.195631 K\n0.783146 0.862622 0.195827 K\n0.205730 0.827992 0.673994 Mn\n0.294187 0.671811 0.326094 Mn\n0.706084 0.328054 0.673764 Mn\n0.794393 0.172068 0.325840 Mn\n0.835387 0.933749 0.495011 H\n0.335301 0.433652 0.495032 H\n0.164600 0.066293 0.505114 H\n0.664594 0.566273 0.505064 H\n0.629011 0.968187 0.583673 H\n0.128961 0.468069 0.583868 H\n0.370934 0.031873 0.416332 H\n0.870995 0.531981 0.416198 H\n0.605223 0.148575 0.946890 H\n0.105200 0.648521 0.946949 H\n0.394701 0.851465 0.053127 H\n0.894762 0.351547 0.053035 H\n0.710836 0.078763 0.816733 H\n0.210899 0.578738 0.816741 H\n0.289075 0.921170 0.183402 H\n0.789102 0.421261 0.183311 H\n0.021195 0.774976 0.508339 Cl\n0.521378 0.275089 0.508182 Cl\n0.978850 0.225019 0.491581 Cl\n0.478666 0.724917 0.491713 Cl\n0.427912 0.871673 0.806309 Cl\n0.927973 0.371702 0.806305 Cl\n0.572032 0.128320 0.193706 Cl\n0.071983 0.628264 0.193719 Cl\n0.922321 0.925833 0.835335 Cl\n0.422294 0.425714 0.835177 Cl\n0.077751 0.074279 0.164683 Cl\n0.577677 0.574131 0.164723 Cl\n0.729950 0.990226 0.484016 O\n0.229850 0.490136 0.484164 O\n0.270030 0.009788 0.516004 O\n0.770116 0.509846 0.515927 O\n0.622744 0.148257 0.837700 O\n0.122746 0.648202 0.837755 O\n0.377234 0.851732 0.162320 O\n0.877250 0.351802 0.162244 O\n",
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"density_atomic": 0.059622582128015744,
"volume": 737.9754185339965,
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"formula_full": "K4 Mn4 H16 Cl12 O8",
"formula_reduced": "KMnH4Cl3O2",
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"updated_at": "2021-11-28T01:36:17.091000Z",
"spacegroup": 2
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{
"id": "mp-754624",
"created_at": "2022-09-04T14:43:40.772990Z",
"structure_string": "Al4 O6\n1.0\n4.731079 -2.424400 0.000000\n4.731079 2.424400 0.000000\n3.488715 0.000000 4.011195\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.693266 0.693266 0.693266 Al\n0.306734 0.306734 0.306734 Al\n0.720600 0.107473 0.396357 O\n0.603643 0.279400 0.892527 O\n0.892527 0.603643 0.279400 O\n0.107473 0.396357 0.720600 O\n0.396357 0.720600 0.107473 O\n0.279400 0.892527 0.603643 O\n",
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"volume": 92.01703734609896,
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"formula_full": "Al4 O6",
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"energy": -78.28062417,
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{
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"structure_string": "Nb4 Cr4 O16\n1.0\n4.839021 4.456752 -0.611680\n-4.839062 4.456798 0.611689\n-2.257079 0.000018 7.541156\nNb Cr O\n4 4 16\ndirect\n0.222420 0.777590 0.858119 Nb\n0.777577 0.222409 0.141879 Nb\n0.221903 0.221905 0.499993 Nb\n0.778099 0.778097 0.500007 Nb\n0.182495 0.817510 0.343123 Cr\n0.817509 0.182495 0.656873 Cr\n0.182615 0.182648 0.999985 Cr\n0.817387 0.817352 0.000025 Cr\n0.152475 0.847524 0.580539 O\n0.847522 0.152475 0.419458 O\n0.146566 0.853438 0.069232 O\n0.853435 0.146559 0.930772 O\n0.507678 0.817170 0.924738 O\n0.182821 0.492337 0.924731 O\n0.817176 0.507660 0.075269 O\n0.492320 0.182829 0.075260 O\n0.183476 0.507424 0.417254 O\n0.492574 0.816523 0.417255 O\n0.507428 0.183480 0.582741 O\n0.816523 0.492577 0.582741 O\n0.846825 0.854091 0.744661 O\n0.145908 0.153179 0.744652 O\n0.854093 0.846820 0.255350 O\n0.153174 0.145908 0.255340 O\n",
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{
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{
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{
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{
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{
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{
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{
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}