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{
"id": "mp-1518266",
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{
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"structure_string": "Ca2 Hf1 Ti1 O6\n1.0\n0.000000 -3.994696 -3.994696\n3.994696 0.000000 -3.994696\n3.994696 -3.994696 0.000000\nCa Hf Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743840 0.256160 0.256160 O\n0.256160 0.743840 0.743840 O\n0.743840 0.256160 0.743840 O\n0.256160 0.743840 0.256160 O\n0.743840 0.743840 0.256160 O\n0.256160 0.256160 0.743840 O\n",
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"formula_full": "Ca2 Hf1 Ti1 O6",
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{
"id": "mp-1222041",
"created_at": "2022-09-04T14:46:09.947447Z",
"structure_string": "Mg4 Al4 Fe4 O16\n1.0\n0.000000 -4.136657 4.136657\n-8.339993 0.000001 0.000000\n0.000001 -4.155588 -4.155587\nMg Al Fe O\n4 4 4 16\ndirect\n0.500000 0.875002 0.750003 Mg\n0.000000 0.374999 0.249996 Mg\n0.999999 0.374999 0.750004 Mg\n0.500000 0.875002 0.249996 Mg\n0.250000 0.624999 0.000000 Al\n0.750000 0.125000 0.500000 Al\n0.250000 0.125000 0.500000 Al\n0.750000 0.625000 0.000000 Al\n0.999999 0.758147 0.499999 Fe\n0.500001 0.491852 0.499999 Fe\n0.500000 0.258125 0.000002 Fe\n0.000002 0.991873 0.000000 Fe\n0.242001 0.354008 0.500000 O\n0.742000 0.854012 0.000000 O\n0.757999 0.354008 0.500000 O\n0.258000 0.854011 0.000000 O\n0.257999 0.895992 0.500000 O\n0.757998 0.395988 0.000000 O\n0.242003 0.395988 0.000000 O\n0.742001 0.895992 0.500000 O\n0.000000 0.125604 0.724881 O\n0.500000 0.625603 0.224882 O\n0.000000 0.125604 0.275119 O\n0.500000 0.625603 0.775118 O\n0.000000 0.624398 0.775118 O\n0.500000 0.124396 0.275120 O\n0.500000 0.124396 0.724880 O\n0.000000 0.624398 0.224882 O\n",
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{
"id": "mp-23700",
"created_at": "2022-09-04T14:46:14.399115Z",
"structure_string": "Rb4 H8 O4 F4\n1.0\n4.221040 0.000000 0.000000\n0.000000 8.186826 0.000000\n0.000000 0.000000 8.474978\nRb H O F\n4 8 4 4\ndirect\n0.750000 0.259728 0.042210 Rb\n0.250000 0.740272 0.957790 Rb\n0.750000 0.759728 0.457790 Rb\n0.250000 0.240272 0.542210 Rb\n0.561099 0.968275 0.740345 H\n0.061099 0.031725 0.259655 H\n0.938901 0.468275 0.759655 H\n0.438901 0.531725 0.240345 H\n0.438901 0.031725 0.259655 H\n0.938901 0.968275 0.740345 H\n0.061099 0.531725 0.240345 H\n0.561099 0.468275 0.759655 H\n0.750000 0.504781 0.697619 O\n0.250000 0.495219 0.302381 O\n0.750000 0.004781 0.802381 O\n0.250000 0.995219 0.197619 O\n0.750000 0.098129 0.352760 F\n0.250000 0.901871 0.647240 F\n0.750000 0.598129 0.147240 F\n0.250000 0.401871 0.852760 F\n",
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{
"id": "mp-759797",
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"structure_string": "Mn4 O2 F4\n1.0\n5.490843 -0.208726 0.118005\n-2.693712 1.824010 4.839933\n-2.564651 -4.859571 -0.118376\nMn O F\n4 2 4\ndirect\n0.223824 0.916532 0.568437 Mn\n0.698503 0.058627 0.336251 Mn\n0.348104 0.416532 0.192726 Mn\n0.722327 0.558607 0.860108 Mn\n0.518522 0.242881 0.481180 O\n0.761702 0.742888 0.224354 O\n0.198291 0.794725 0.924582 F\n0.870184 0.294779 0.096528 F\n0.171822 0.237206 0.750466 F\n0.486718 0.737220 0.565366 F\n",
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"density": 4.100818227857202,
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"formula_full": "Mn4 O2 F4",
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{
"id": "mp-768921",
"created_at": "2022-09-04T14:46:07.923555Z",
"structure_string": "Li32 B8 O28\n1.0\n9.227358 0.000000 0.000000\n0.000000 7.263655 0.000000\n0.000000 2.575030 8.006874\nLi B O\n32 8 28\ndirect\n0.525543 0.878771 0.931455 Li\n0.541426 0.915846 0.641031 Li\n0.260168 0.891731 0.533237 Li\n0.974457 0.878771 0.431455 Li\n0.059533 0.745000 0.715284 Li\n0.958574 0.915846 0.141031 Li\n0.750022 0.716601 0.569218 Li\n0.239832 0.891731 0.033237 Li\n0.530509 0.577215 0.859956 Li\n0.494942 0.655539 0.523818 Li\n0.440467 0.745000 0.215284 Li\n0.765741 0.498324 0.877105 Li\n0.749978 0.716601 0.069218 Li\n0.265741 0.501676 0.622895 Li\n0.969491 0.577215 0.359956 Li\n0.994942 0.344461 0.976182 Li\n0.005058 0.655539 0.023818 Li\n0.030509 0.422785 0.640044 Li\n0.734259 0.498324 0.377105 Li\n0.250022 0.283399 0.930782 Li\n0.234259 0.501676 0.122895 Li\n0.559533 0.255000 0.784716 Li\n0.505058 0.344461 0.476182 Li\n0.469491 0.422785 0.140044 Li\n0.760168 0.108269 0.966763 Li\n0.249978 0.283399 0.430782 Li\n0.041426 0.084154 0.858969 Li\n0.940467 0.255000 0.284716 Li\n0.025543 0.121229 0.568545 Li\n0.739832 0.108269 0.466763 Li\n0.458574 0.084154 0.358969 Li\n0.474457 0.121229 0.068545 Li\n0.800585 0.907155 0.774104 B\n0.699415 0.907155 0.274104 B\n0.288934 0.691840 0.845480 B\n0.211066 0.691840 0.345480 B\n0.788934 0.308160 0.654520 B\n0.711066 0.308160 0.154520 B\n0.300585 0.092845 0.725896 B\n0.199415 0.092845 0.225896 B\n0.889521 0.893860 0.925601 O\n0.215633 0.893653 0.784395 O\n0.889952 0.893549 0.632174 O\n0.610479 0.893860 0.425601 O\n0.681480 0.760832 0.814340 O\n0.284367 0.893653 0.284395 O\n0.610048 0.893549 0.132174 O\n0.378865 0.667849 0.707635 O\n0.818520 0.760832 0.314340 O\n0.160325 0.550770 0.891426 O\n0.116712 0.671674 0.497159 O\n0.121135 0.667849 0.207635 O\n0.339675 0.550770 0.391426 O\n0.616712 0.328326 0.002841 O\n0.383288 0.671674 0.997159 O\n0.660325 0.449230 0.608574 O\n0.878865 0.332151 0.792365 O\n0.883288 0.328326 0.502841 O\n0.839675 0.449230 0.108574 O\n0.181480 0.239168 0.685660 O\n0.621135 0.332151 0.292365 O\n0.389952 0.106451 0.867826 O\n0.715633 0.106347 0.715605 O\n0.318520 0.239168 0.185660 O\n0.389521 0.106140 0.574399 O\n0.110048 0.106451 0.367826 O\n0.784367 0.106347 0.215605 O\n0.110479 0.106140 0.074399 O\n",
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"formula_full": "Li32 B8 O28",
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{
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"created_at": "2022-09-04T14:46:10.599485Z",
"structure_string": "Ca1 P4 Br12 O4\n1.0\n6.749480 0.783460 0.594442\n1.180795 11.810449 0.154594\n0.972056 0.129831 10.445445\nCa P Br O\n1 4 12 4\ndirect\n0.818908 0.426342 0.959311 Ca\n0.378678 0.294547 0.267781 P\n0.631009 0.695513 0.730263 P\n0.821973 0.161531 0.777825 P\n0.096945 0.823888 0.246849 P\n0.807212 0.636726 0.540983 Br\n0.856519 0.981183 0.267103 Br\n0.282278 0.838423 0.395103 Br\n0.652408 0.059684 0.915367 Br\n0.261197 0.353950 0.486633 Br\n0.866897 0.677071 0.861782 Br\n0.461305 0.557665 0.810701 Br\n0.681692 0.183153 0.606311 Br\n0.128628 0.056106 0.727256 Br\n0.232893 0.380901 0.947961 Br\n0.296993 0.846851 0.060572 Br\n0.622908 0.447753 0.214256 Br\n0.504672 0.813506 0.734066 O\n0.821434 0.275091 0.835273 O\n0.522858 0.180986 0.268778 O\n0.023428 0.715379 0.252222 O\n",
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{
"id": "mp-1517423",
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"structure_string": "Ba1 Na1 La1 Se1 O6\n1.0\n0.000000 -4.183658 -4.183658\n4.183658 0.000000 -4.183658\n4.183658 -4.183658 0.000000\nBa Na La Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n0.720028 0.279972 0.279972 O\n0.279972 0.720028 0.720028 O\n0.720028 0.279972 0.720028 O\n0.279972 0.720028 0.279972 O\n0.720028 0.720028 0.279972 O\n0.279972 0.279972 0.720028 O\n",
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{
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