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{
"id": "mp-1185531",
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"structure_string": "Li2 Nd12 B6 O26 F4\n1.0\n3.503244 6.087021 0.000000\n-3.503244 6.087021 0.000000\n0.000000 4.089690 15.666285\nLi Nd B O F\n2 12 6 26 4\ndirect\n0.080949 0.919051 0.750000 Li\n0.919051 0.080949 0.250000 Li\n0.694577 0.866755 0.904278 Nd\n0.133245 0.305423 0.595722 Nd\n0.305423 0.133245 0.095722 Nd\n0.866755 0.694577 0.404278 Nd\n0.035898 0.231066 0.888894 Nd\n0.768934 0.964102 0.611106 Nd\n0.964102 0.768934 0.111106 Nd\n0.231066 0.035898 0.388894 Nd\n0.380981 0.521116 0.900576 Nd\n0.478884 0.619019 0.599424 Nd\n0.619019 0.478884 0.099424 Nd\n0.521116 0.380981 0.400576 Nd\n0.085030 0.553859 0.749134 B\n0.446141 0.914970 0.750866 B\n0.914970 0.446141 0.250866 B\n0.553859 0.085030 0.249134 B\n0.714394 0.285606 0.750000 B\n0.285606 0.714394 0.250000 B\n0.789186 0.162046 0.827427 O\n0.837954 0.210814 0.672573 O\n0.210814 0.837954 0.172573 O\n0.162046 0.789186 0.327427 O\n0.306405 0.893895 0.823150 O\n0.106105 0.693595 0.676850 O\n0.693595 0.106105 0.176850 O\n0.893895 0.306405 0.323150 O\n0.087253 0.361744 0.742385 O\n0.638256 0.912747 0.757615 O\n0.912747 0.638256 0.257615 O\n0.361744 0.087253 0.242385 O\n0.519315 0.480685 0.750000 O\n0.480685 0.519315 0.250000 O\n0.057405 0.606341 0.831286 O\n0.393659 0.942595 0.668714 O\n0.942595 0.393659 0.168714 O\n0.606341 0.057405 0.331286 O\n0.353042 0.184790 0.939910 O\n0.815210 0.646958 0.560090 O\n0.646958 0.815210 0.060090 O\n0.184790 0.353042 0.439910 O\n0.522734 0.685325 0.441187 O\n0.314675 0.477266 0.058813 O\n0.477266 0.314675 0.558813 O\n0.685325 0.522734 0.941187 O\n0.984358 0.150170 0.045219 F\n0.849830 0.015642 0.454781 F\n0.015642 0.849830 0.954781 F\n0.150170 0.984358 0.545219 F\n",
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"formula_full": "Li2 Nd12 B6 O26 F4",
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"updated_at": "2021-11-28T01:34:42.006000Z",
"spacegroup": 15
},
{
"id": "mp-1275887",
"created_at": "2022-09-04T14:39:25.225701Z",
"structure_string": "Ba2 La4 Co6 O18\n1.0\n3.934397 0.002272 3.917954\n-0.003167 3.930917 3.923593\n-7.803418 -7.775396 7.768193\nBa La Co O\n2 4 6 18\ndirect\n0.998789 0.001143 0.000916 Ba\n0.000924 0.998540 0.499779 Ba\n0.330022 0.333551 0.168644 La\n0.329100 0.344947 0.672592 La\n0.667659 0.665818 0.328002 La\n0.667108 0.677321 0.831788 La\n0.333863 0.332513 0.416425 Co\n0.333402 0.338140 0.918445 Co\n0.665952 0.666243 0.083572 Co\n0.664331 0.671480 0.583589 Co\n0.998811 0.004212 0.750475 Co\n0.000612 0.998186 0.248953 Co\n0.495771 0.496764 0.000803 O\n0.495638 0.490456 0.497631 O\n0.503340 0.989900 0.001427 O\n0.511660 0.976547 0.498266 O\n0.994566 0.501726 0.003132 O\n0.016083 0.489599 0.496784 O\n0.827172 0.823241 0.173028 O\n0.829717 0.827063 0.673063 O\n0.177291 0.171869 0.327124 O\n0.174845 0.180960 0.829175 O\n0.169400 0.659464 0.324764 O\n0.169441 0.658482 0.827687 O\n0.828074 0.343965 0.174161 O\n0.822576 0.356670 0.669693 O\n0.649988 0.171929 0.327678 O\n0.653517 0.174480 0.825700 O\n0.348278 0.823674 0.172012 O\n0.342069 0.831119 0.674696 O\n",
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"formula_full": "Ba2 La4 Co6 O18",
"formula_reduced": "BaLa2(CoO3)3",
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{
"id": "mp-677780",
"created_at": "2022-09-04T14:39:25.245100Z",
"structure_string": "Ca4 Mg2 Si4 O14\n1.0\n7.829954 0.000000 0.000000\n0.000000 7.829954 0.000000\n0.000000 0.000000 4.870872\nCa Mg Si O\n4 2 4 14\ndirect\n0.653109 0.846891 0.484069 Ca\n0.346891 0.153109 0.484069 Ca\n0.153109 0.653109 0.515931 Ca\n0.846891 0.346891 0.515931 Ca\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.852967 0.647033 0.093583 Si\n0.147033 0.352967 0.093583 Si\n0.647033 0.147033 0.906417 Si\n0.352967 0.852967 0.906417 Si\n0.080382 0.183026 0.258096 O\n0.919618 0.816974 0.258096 O\n0.683026 0.580382 0.258096 O\n0.316974 0.419618 0.258096 O\n0.851853 0.648147 0.763050 O\n0.148147 0.351853 0.763050 O\n0.500000 0.000000 0.810423 O\n0.000000 0.500000 0.189577 O\n0.351853 0.851853 0.236950 O\n0.648147 0.148147 0.236950 O\n0.816974 0.080382 0.741904 O\n0.183026 0.919618 0.741904 O\n0.419618 0.683026 0.741904 O\n0.580382 0.316974 0.741904 O\n",
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"formula_full": "Ca4 Mg2 Si4 O14",
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"spacegroup": 113
},
{
"id": "mp-1372505",
"created_at": "2022-09-04T14:39:25.326285Z",
"structure_string": "Ca4 Ta2 W2 O12\n1.0\n7.972744 0.000000 0.000000\n0.000000 5.583369 0.000000\n0.000000 0.039152 5.759978\nCa Ta W O\n4 2 2 12\ndirect\n0.750000 0.990376 0.043914 Ca\n0.750000 0.508580 0.560643 Ca\n0.250000 0.491420 0.439357 Ca\n0.250000 0.009624 0.956086 Ca\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.448383 0.185433 0.213044 O\n0.548945 0.709316 0.313211 O\n0.551617 0.814567 0.786956 O\n0.048945 0.290684 0.686789 O\n0.250000 0.907152 0.534575 O\n0.451055 0.290684 0.686789 O\n0.951055 0.709316 0.313211 O\n0.051617 0.185433 0.213044 O\n0.750000 0.380579 0.948164 O\n0.948383 0.814567 0.786956 O\n0.250000 0.619421 0.051836 O\n0.750000 0.092848 0.465425 O\n",
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"volume": 256.4041056355501,
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"formula_full": "Ca4 Ta2 W2 O12",
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{
"id": "mp-1034177",
"created_at": "2022-09-04T14:39:25.345126Z",
"structure_string": "Rb1 Mg14 B1 O16\n1.0\n8.535758 0.000000 0.000000\n0.000000 8.535758 -0.000000\n0.000000 0.000000 4.500907\nRb Mg B O\n1 14 1 16\ndirect\n0.000000 -0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.252976 0.500000 Mg\n0.000000 0.747024 0.500000 Mg\n0.500000 0.259810 0.500000 Mg\n0.500000 0.740190 0.500000 Mg\n0.252976 -0.000000 0.500000 Mg\n0.259810 0.500000 0.500000 Mg\n0.747024 -0.000000 0.500000 Mg\n0.740190 0.500000 0.500000 Mg\n0.254511 0.254511 -0.000000 Mg\n0.254511 0.745489 0.000000 Mg\n0.745489 0.254511 0.000000 Mg\n0.745489 0.745489 0.000000 Mg\n0.500000 0.500000 0.000000 B\n0.283202 -0.000000 -0.000000 O\n0.298058 0.500000 -0.000000 O\n0.716798 -0.000000 0.000000 O\n0.701942 0.500000 0.000000 O\n0.251615 0.251615 0.500000 O\n0.251615 0.748385 0.500000 O\n0.748385 0.251615 0.500000 O\n0.748385 0.748385 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.283202 0.000000 O\n0.000000 0.716798 0.000000 O\n0.500000 0.298058 -0.000000 O\n0.500000 0.701942 -0.000000 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.977473 0.000000 0.000000\n-1.487011 6.266293 0.000000\n-0.767645 -2.925684 11.559032\nLi Mn Co O\n7 2 3 12\ndirect\n0.997401 0.001137 0.251751 Li\n0.338565 0.662282 0.581066 Li\n0.659177 0.329585 0.416753 Li\n0.007337 0.014291 0.748495 Li\n0.673052 0.331233 0.908297 Li\n0.326199 0.661843 0.088253 Li\n0.652682 0.325391 0.670664 Li\n0.010752 0.005062 0.000032 Mn\n0.332721 0.655469 0.827113 Mn\n0.334477 0.669348 0.334275 Co\n0.999174 0.011787 0.505919 Co\n0.669059 0.336880 0.169197 Co\n0.483469 0.014712 0.124792 O\n0.817015 0.689209 0.454714 O\n0.148215 0.352825 0.288647 O\n0.464125 0.994028 0.612733 O\n0.169409 0.354388 0.796114 O\n0.865215 0.677397 0.944660 O\n0.515852 0.981705 0.379560 O\n0.807564 0.665169 0.723224 O\n0.152645 0.298420 0.532682 O\n0.528865 0.986799 0.877917 O\n0.194536 0.327752 0.050220 O\n0.852493 0.653288 0.212922 O\n",
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{
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{
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{
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"structure_string": "Mg2 Pd6\n1.0\n2.825923 -4.894643 0.000000\n2.825923 4.894643 0.000000\n0.000000 0.000000 4.557732\nMg Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.166600 0.333201 0.250000 Pd\n0.166600 0.833400 0.250000 Pd\n0.666799 0.833400 0.250000 Pd\n0.333201 0.166600 0.750000 Pd\n0.833400 0.166600 0.750000 Pd\n0.833400 0.666799 0.750000 Pd\n",
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