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{
"id": "mp-558647",
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},
{
"id": "mp-1199707",
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"structure_string": "K8 Mo4 S8 Br2 O40\n1.0\n12.146515 0.000000 0.000000\n0.000000 12.146515 0.000000\n0.000000 0.000000 8.149433\nK Mo S Br O\n8 4 8 2 40\ndirect\n0.832477 0.667523 0.750000 K\n0.167523 0.332477 0.750000 K\n0.332477 0.832477 0.250000 K\n0.667523 0.167523 0.250000 K\n0.332477 0.832477 0.750000 K\n0.667523 0.167523 0.750000 K\n0.167523 0.332477 0.250000 K\n0.832477 0.667523 0.250000 K\n0.500000 0.500000 0.138584 Mo\n0.000000 0.000000 0.638584 Mo\n0.500000 0.500000 0.861416 Mo\n0.000000 0.000000 0.361416 Mo\n0.772017 0.910272 0.500000 S\n0.227983 0.089728 0.500000 S\n0.272017 0.589728 0.000000 S\n0.727983 0.410272 0.000000 S\n0.089728 0.772017 0.500000 S\n0.910272 0.227983 0.500000 S\n0.410272 0.272017 0.000000 S\n0.589728 0.727983 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.848731 0.927350 0.348802 O\n0.151269 0.072650 0.348802 O\n0.348731 0.572650 0.848802 O\n0.651269 0.427350 0.848802 O\n0.072650 0.848731 0.348802 O\n0.927350 0.151269 0.348802 O\n0.427350 0.348731 0.848802 O\n0.572650 0.651269 0.848802 O\n0.151269 0.072650 0.651198 O\n0.848731 0.927350 0.651198 O\n0.651269 0.427350 0.151198 O\n0.348731 0.572650 0.151198 O\n0.927350 0.151269 0.651198 O\n0.072650 0.848731 0.651198 O\n0.572650 0.651269 0.151198 O\n0.427350 0.348731 0.151198 O\n0.977893 0.736502 0.000000 O\n0.022107 0.263498 0.000000 O\n0.477893 0.763498 0.500000 O\n0.522107 0.236502 0.500000 O\n0.263498 0.977893 0.000000 O\n0.736502 0.022107 0.000000 O\n0.236502 0.477893 0.500000 O\n0.763498 0.522107 0.500000 O\n0.734652 0.797397 0.500000 O\n0.265348 0.202603 0.500000 O\n0.234652 0.702603 0.000000 O\n0.765348 0.297397 0.000000 O\n0.202603 0.734652 0.500000 O\n0.797397 0.265348 0.500000 O\n0.297397 0.234652 0.000000 O\n0.702603 0.765348 0.000000 O\n0.688313 0.995933 0.500000 O\n0.311687 0.004067 0.500000 O\n0.188313 0.504067 0.000000 O\n0.811687 0.495933 0.000000 O\n0.004067 0.688313 0.500000 O\n0.995933 0.311687 0.500000 O\n0.495933 0.188313 0.000000 O\n0.504067 0.811687 0.000000 O\n",
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{
"id": "mp-754416",
"created_at": "2022-09-04T14:41:16.130283Z",
"structure_string": "Li16 Mn4 B8 O24\n1.0\n0.000000 0.000010 6.745714\n9.333997 0.000093 0.000000\n0.000080 7.970092 -3.372845\nLi Mn B O\n16 4 8 24\ndirect\n0.336534 0.053756 0.173045 Li\n0.836456 0.053751 0.173010 Li\n0.336479 0.446293 0.673078 Li\n0.836451 0.446278 0.672974 Li\n0.163513 0.553771 0.327052 Li\n0.663472 0.553755 0.326933 Li\n0.663488 0.946279 0.826976 Li\n0.163559 0.946272 0.827006 Li\n0.004409 0.200670 0.008981 Li\n0.504419 0.200719 0.008977 Li\n0.504436 0.299280 0.508967 Li\n0.004413 0.299290 0.508980 Li\n0.495535 0.700717 0.491002 Li\n0.995558 0.700712 0.491008 Li\n0.495531 0.799260 0.991020 Li\n0.995545 0.799312 0.990996 Li\n0.250174 0.999993 0.500018 Mn\n0.750004 0.499986 0.999984 Mn\n0.750205 0.999897 0.500072 Mn\n0.249960 0.499886 0.000113 Mn\n0.634848 0.202677 0.769740 B\n0.134837 0.202674 0.769742 B\n0.134806 0.297321 0.269760 B\n0.634835 0.297338 0.269746 B\n0.365148 0.702663 0.730255 B\n0.865156 0.702675 0.730243 B\n0.365158 0.797350 0.230242 B\n0.865189 0.797339 0.230229 B\n0.562217 0.115308 0.624208 O\n0.062203 0.115316 0.624204 O\n0.062057 0.384650 0.124213 O\n0.562081 0.384689 0.124201 O\n0.437823 0.615292 0.875785 O\n0.937858 0.615331 0.875780 O\n0.437975 0.884688 0.375792 O\n0.937984 0.884678 0.375776 O\n0.126342 0.148786 0.252795 O\n0.626363 0.148818 0.252772 O\n0.626311 0.351196 0.752739 O\n0.126275 0.351195 0.752757 O\n0.373593 0.648824 0.247214 O\n0.873649 0.648814 0.247209 O\n0.373673 0.851179 0.747247 O\n0.873676 0.851207 0.747216 O\n0.712079 0.138340 0.924352 O\n0.212107 0.138338 0.924358 O\n0.212108 0.361667 0.424375 O\n0.712115 0.361694 0.424351 O\n0.287865 0.638336 0.575637 O\n0.787845 0.638352 0.575618 O\n0.287844 0.861703 0.075636 O\n0.787839 0.861684 0.075615 O\n",
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"density_atomic": 0.10362013538398349,
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"formula_full": "Li16 Mn4 B8 O24",
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},
{
"id": "mp-1196952",
"created_at": "2022-09-04T14:41:16.132634Z",
"structure_string": "Ca2 Al4 Si6 O26\n1.0\n9.204419 3.316084 0.000000\n-9.204419 3.316084 0.000000\n0.000000 3.051995 9.324269\nCa Al Si O\n2 4 6 26\ndirect\n0.242287 0.034720 0.444472 Ca\n0.034720 0.242287 0.944472 Ca\n0.180863 0.622390 0.416520 Al\n0.622390 0.180863 0.916520 Al\n0.369279 0.309964 0.060142 Al\n0.309964 0.369279 0.560142 Al\n0.637765 0.880811 0.494654 Si\n0.880811 0.637765 0.994654 Si\n0.131438 0.305988 0.295800 Si\n0.305988 0.131438 0.795800 Si\n0.207214 0.878503 0.177519 Si\n0.878503 0.207214 0.677519 Si\n0.401218 0.950786 0.067675 O\n0.950786 0.401218 0.567675 O\n0.158693 0.775333 0.344084 O\n0.775333 0.158693 0.844084 O\n0.284041 0.097194 0.185841 O\n0.097194 0.284041 0.685841 O\n0.659357 0.562070 0.023256 O\n0.562070 0.659357 0.523256 O\n0.202244 0.316509 0.132051 O\n0.316509 0.202244 0.632051 O\n0.238982 0.284378 0.401906 O\n0.284378 0.238982 0.901906 O\n0.856623 0.072280 0.354279 O\n0.072280 0.856623 0.854279 O\n0.205152 0.520083 0.295691 O\n0.520083 0.205152 0.795691 O\n0.970387 0.696945 0.135825 O\n0.696945 0.970387 0.635825 O\n0.434052 0.815422 0.465219 O\n0.815422 0.434052 0.965219 O\n0.652079 0.284059 0.384618 O\n0.284059 0.652079 0.884618 O\n0.692002 0.819430 0.056162 O\n0.819430 0.692002 0.556162 O\n0.839136 0.268523 0.123184 O\n0.268523 0.839136 0.623184 O\n",
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{
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"structure_string": "Nb8 Fe16\n1.0\n2.391330 -4.141905 0.000000\n2.391330 4.141905 0.000000\n0.000000 0.000000 15.585859\nNb Fe\n8 16\ndirect\n0.000000 0.000000 0.407497 Nb\n0.000000 0.000000 0.592503 Nb\n0.000000 0.000000 0.907497 Nb\n0.000000 0.000000 0.092503 Nb\n0.333333 0.666667 0.655925 Nb\n0.666667 0.333333 0.344075 Nb\n0.666667 0.333333 0.155925 Nb\n0.333333 0.666667 0.844075 Nb\n0.333333 0.666667 0.373484 Fe\n0.666667 0.333333 0.626516 Fe\n0.666667 0.333333 0.873484 Fe\n0.333333 0.666667 0.126516 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.162344 0.837656 0.250000 Fe\n0.162344 0.324688 0.250000 Fe\n0.675312 0.837656 0.250000 Fe\n0.837656 0.162344 0.750000 Fe\n0.837656 0.675312 0.750000 Fe\n0.324688 0.162344 0.750000 Fe\n",
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{
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"structure_string": "Li8 V4 Si4 O16\n1.0\n4.909406 0.000000 0.000000\n0.000000 6.717766 0.000000\n0.000000 0.000000 10.599052\nLi V Si O\n8 4 4 16\ndirect\n0.183336 0.001102 0.590050 Li\n0.316664 0.001102 0.090050 Li\n0.316664 0.498898 0.090050 Li\n0.183336 0.498898 0.590050 Li\n0.683336 0.501102 0.909950 Li\n0.816664 0.501102 0.409950 Li\n0.683336 0.998898 0.909950 Li\n0.816664 0.998898 0.409950 Li\n0.194388 0.250000 0.846987 V\n0.305612 0.250000 0.346987 V\n0.694388 0.750000 0.653013 V\n0.805612 0.750000 0.153013 V\n0.668639 0.250000 0.664233 Si\n0.831361 0.250000 0.164233 Si\n0.331361 0.750000 0.335767 Si\n0.168639 0.750000 0.835767 Si\n0.778473 0.045739 0.594559 O\n0.721527 0.045739 0.094559 O\n0.331577 0.250000 0.657888 O\n0.744502 0.250000 0.316166 O\n0.755498 0.250000 0.816166 O\n0.168423 0.250000 0.157888 O\n0.721527 0.454261 0.094559 O\n0.778473 0.454261 0.594559 O\n0.278473 0.545739 0.905441 O\n0.221527 0.545739 0.405441 O\n0.668423 0.750000 0.342112 O\n0.831577 0.750000 0.842112 O\n0.255498 0.750000 0.683834 O\n0.244502 0.750000 0.183834 O\n0.221527 0.954261 0.405441 O\n0.278473 0.954261 0.905441 O\n",
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{
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