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{
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{
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"structure_string": "In16 Se12 N8\n1.0\n6.605075 0.000000 0.000000\n0.000000 11.922757 0.000000\n0.000000 0.000000 11.009351\nIn Se N\n16 12 8\ndirect\n0.767080 0.250000 0.950106 In\n0.267080 0.250000 0.549894 In\n0.232920 0.750000 0.049894 In\n0.732920 0.750000 0.450106 In\n0.884112 0.250000 0.378890 In\n0.384112 0.250000 0.121110 In\n0.115888 0.750000 0.621110 In\n0.615888 0.750000 0.878890 In\n0.637243 0.529603 0.113445 In\n0.137243 0.970397 0.386555 In\n0.362757 0.029603 0.886555 In\n0.862757 0.470397 0.613445 In\n0.362757 0.470397 0.886555 In\n0.862757 0.029603 0.613445 In\n0.637243 0.970397 0.113445 In\n0.137243 0.529603 0.386555 In\n0.999351 0.250000 0.150256 Se\n0.499351 0.250000 0.349744 Se\n0.000649 0.750000 0.849744 Se\n0.500649 0.750000 0.650256 Se\n0.531393 0.567190 0.345154 Se\n0.031393 0.932810 0.154846 Se\n0.468607 0.067190 0.654846 Se\n0.968607 0.432810 0.845154 Se\n0.468607 0.432810 0.654846 Se\n0.968607 0.067190 0.845154 Se\n0.531393 0.932810 0.345154 Se\n0.031393 0.567190 0.154846 Se\n0.458946 0.623506 0.980926 N\n0.958946 0.876494 0.519074 N\n0.541054 0.123506 0.019074 N\n0.041054 0.376494 0.480926 N\n0.541054 0.376494 0.019074 N\n0.041054 0.123506 0.480926 N\n0.458946 0.876494 0.980926 N\n0.958946 0.623506 0.519074 N\n",
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"formula_full": "In16 Se12 N8",
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{
"id": "mp-1102225",
"created_at": "2022-09-04T14:46:13.019331Z",
"structure_string": "Pb4 Br4 O4\n1.0\n3.967475 0.000000 0.000000\n0.000000 7.173242 0.000000\n0.000000 0.000000 9.785178\nPb Br O\n4 4 4\ndirect\n0.250000 0.685470 0.429339 Pb\n0.250000 0.185470 0.070661 Pb\n0.750000 0.314530 0.570661 Pb\n0.750000 0.814530 0.929339 Pb\n0.250000 0.960560 0.673663 Br\n0.250000 0.460560 0.826337 Br\n0.750000 0.039440 0.326337 Br\n0.750000 0.539440 0.173663 Br\n0.250000 0.875863 0.030608 O\n0.250000 0.375863 0.469392 O\n0.750000 0.124137 0.969392 O\n0.750000 0.624137 0.530608 O\n",
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{
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"structure_string": "K6 Nd2 As4 S16\n1.0\n9.681653 5.312645 0.000000\n-9.681653 5.312645 0.000000\n0.000000 4.223450 8.062267\nK Nd As S\n6 2 4 16\ndirect\n0.003546 0.996454 0.250000 K\n0.996454 0.003546 0.750000 K\n0.258153 0.741847 0.250000 K\n0.500000 0.500000 0.000000 K\n0.741847 0.258153 0.750000 K\n0.500000 0.500000 0.500000 K\n0.242719 0.757281 0.750000 Nd\n0.757281 0.242719 0.250000 Nd\n0.905847 0.657392 0.104280 As\n0.094153 0.342608 0.895720 As\n0.657392 0.905847 0.604280 As\n0.342608 0.094153 0.395720 As\n0.844206 0.132475 0.018936 S\n0.267808 0.239365 0.370806 S\n0.861169 0.505373 0.344742 S\n0.505373 0.861169 0.844742 S\n0.470006 0.126129 0.556264 S\n0.760635 0.732192 0.129194 S\n0.138831 0.494627 0.655258 S\n0.529994 0.873871 0.443736 S\n0.132475 0.844206 0.518936 S\n0.873871 0.529994 0.943736 S\n0.126129 0.470006 0.056264 S\n0.732192 0.760635 0.629194 S\n0.494627 0.138831 0.155258 S\n0.155794 0.867525 0.981064 S\n0.867525 0.155794 0.481064 S\n0.239365 0.267808 0.870806 S\n",
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{
"id": "mp-1190467",
"created_at": "2022-09-04T14:46:13.377943Z",
"structure_string": "K12 Zn2 Bi10\n1.0\n0.000000 5.641827 0.000000\n0.000000 0.000000 11.616924\n15.525033 0.000000 0.000000\nK Zn Bi\n12 2 10\ndirect\n0.250000 0.938885 0.117469 K\n0.250000 0.938885 0.382531 K\n0.750000 0.061115 0.882531 K\n0.750000 0.061115 0.617469 K\n0.750000 0.685553 0.018667 K\n0.750000 0.685553 0.481333 K\n0.250000 0.314447 0.981333 K\n0.250000 0.314447 0.518667 K\n0.750000 0.391051 0.750000 K\n0.250000 0.608949 0.250000 K\n0.750000 0.744782 0.750000 K\n0.250000 0.255218 0.250000 K\n0.250000 0.958398 0.750000 Zn\n0.750000 0.041602 0.250000 Zn\n0.250000 0.829963 0.602557 Bi\n0.250000 0.829963 0.897443 Bi\n0.750000 0.170037 0.397443 Bi\n0.750000 0.170037 0.102557 Bi\n0.250000 0.581134 0.652423 Bi\n0.250000 0.581134 0.847577 Bi\n0.750000 0.418866 0.347577 Bi\n0.750000 0.418866 0.152423 Bi\n0.250000 0.194073 0.750000 Bi\n0.750000 0.805927 0.250000 Bi\n",
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{
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{
"id": "mp-1093578",
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{
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"elements": [
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"formula_full": "Li16 B32 H32 O72",
"formula_reduced": "Li2B4H4O9",
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"updated_at": "2021-11-28T01:37:22.165000Z",
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},
{
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"created_at": "2022-09-04T14:46:13.436294Z",
"structure_string": "Li2 Ca2 Al2 F12\n1.0\n2.541589 -4.402162 0.000000\n2.541589 4.402162 0.000000\n0.000000 0.000000 9.749555\nLi Ca Al F\n2 2 2 12\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.375818 0.031324 0.143129 F\n0.624182 0.655506 0.643129 F\n0.344494 0.968676 0.643129 F\n0.031324 0.375818 0.643129 F\n0.968676 0.624182 0.356871 F\n0.968676 0.344494 0.143129 F\n0.655506 0.624182 0.143129 F\n0.655506 0.031324 0.356871 F\n0.031324 0.655506 0.856871 F\n0.375818 0.344494 0.356871 F\n0.624182 0.968676 0.856871 F\n0.344494 0.375818 0.856871 F\n",
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"elements": [
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{
"id": "mp-569358",
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"structure_string": "Bi2\n1.0\n3.230643 0.000000 0.000000\n0.000000 5.869730 0.000000\n0.000000 0.000000 5.967808\nBi\n2\ndirect\n0.120382 0.000000 0.750000 Bi\n0.879618 0.000000 0.250000 Bi\n",
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]
}