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{
"id": "mp-1215754",
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"structure_string": "Zr4 Ti6 Si6\n1.0\n0.000000 0.000000 -5.466895\n-3.856555 -6.679748 0.000000\n-3.859184 6.681266 0.000000\nZr Ti Si\n4 6 6\ndirect\n0.500000 0.333323 0.666646 Zr\n0.500000 0.666677 0.333354 Zr\n0.000000 0.666677 0.333354 Zr\n0.000000 0.333323 0.666646 Zr\n0.749998 0.256357 0.000000 Ti\n0.750002 0.743638 0.743651 Ti\n0.750002 0.999987 0.256349 Ti\n0.249998 0.743643 0.000000 Ti\n0.250002 0.256362 0.256349 Ti\n0.250002 0.000013 0.743651 Ti\n0.750002 0.623531 0.000000 Si\n0.749999 0.376521 0.376510 Si\n0.749999 0.000011 0.623490 Si\n0.250002 0.376469 0.000000 Si\n0.249999 0.623479 0.623490 Si\n0.249999 0.999989 0.376510 Si\n",
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{
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"structure_string": "Ho2 In3 Cu1\n1.0\n2.360816 -4.089053 0.000000\n2.360816 4.089053 0.000000\n0.000000 0.000000 7.475196\nHo In Cu\n2 3 1\ndirect\n0.333333 0.666667 0.722706 Ho\n0.333333 0.666667 0.263720 Ho\n0.666667 0.333333 0.483404 In\n0.666667 0.333333 0.050836 In\n0.000000 0.000000 0.935568 In\n0.000000 0.000000 0.543765 Cu\n",
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},
{
"id": "mp-1111644",
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"structure_string": "Rb1 Au1 F3\n1.0\n4.514405 0.000000 0.000000\n0.000000 4.514405 0.000000\n0.000000 0.000000 4.514405\nRb Au F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n",
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"spacegroup": 221
},
{
"id": "mp-1226339",
"created_at": "2022-09-04T14:46:13.625090Z",
"structure_string": "K20 Mn8 B8 P20 O84\n1.0\n0.000000 -9.211461 0.000000\n-14.439835 0.000000 3.200187\n0.312900 0.000000 -14.914607\nK Mn B P O\n20 8 8 20 84\ndirect\n0.498837 0.499966 0.999685 K\n0.001163 -0.000034 0.499685 K\n0.353483 0.357171 0.538023 K\n0.146517 0.857171 0.038023 K\n0.641889 0.644938 0.461009 K\n0.858111 0.144938 0.961009 K\n0.023207 0.687140 0.762932 K\n0.476793 0.187140 0.262932 K\n0.979289 0.315038 0.240266 K\n0.520711 0.815038 0.740266 K\n0.333477 0.142902 0.623802 K\n0.166523 0.642902 0.123802 K\n0.668123 0.857298 0.376301 K\n0.831877 0.357298 0.876301 K\n0.598985 0.542631 0.696047 K\n0.901015 0.042631 0.196047 K\n0.391755 0.456374 0.306430 K\n0.108245 0.956374 0.806430 K\n0.989902 0.516784 0.507864 K\n0.510098 0.016784 0.007864 K\n0.708279 0.292714 0.624165 Mn\n0.791721 0.792714 0.124165 Mn\n0.291613 0.707737 0.375666 Mn\n0.208387 0.207737 0.875666 Mn\n0.174948 0.502224 0.861411 Mn\n0.325052 0.002224 0.361411 Mn\n0.823663 0.496967 0.136884 Mn\n0.676337 0.996967 0.636884 Mn\n0.025762 0.239412 0.568133 B\n0.474238 0.739412 0.068133 B\n0.974526 0.761618 0.431826 B\n0.525474 0.261618 0.931826 B\n0.851455 0.219604 0.426446 B\n0.648545 0.719604 0.926446 B\n0.148539 0.781842 0.573760 B\n0.351461 0.281842 0.073760 B\n0.632417 0.108888 0.466803 P\n0.867583 0.608888 0.966803 P\n0.368410 0.891079 0.533129 P\n0.131590 0.391079 0.033129 P\n0.992561 0.414533 0.696344 P\n0.507439 0.914533 0.196344 P\n0.008291 0.584971 0.305437 P\n0.491709 0.084971 0.805437 P\n0.920156 0.155503 0.705891 P\n0.579844 0.655503 0.205891 P\n0.080071 0.844160 0.293311 P\n0.419929 0.344160 0.793311 P\n0.673419 0.375595 0.441685 P\n0.826581 0.875595 0.941685 P\n0.325321 0.625472 0.558870 P\n0.174679 0.125472 0.058870 P\n0.357591 0.704249 0.894594 P\n0.142409 0.204249 0.394594 P\n0.641325 0.295499 0.104906 P\n0.858675 0.795499 0.604906 P\n0.263357 0.620923 0.848273 O\n0.236643 0.120923 0.348273 O\n0.738410 0.376706 0.152519 O\n0.761590 0.876706 0.652519 O\n0.033464 0.172479 0.630998 O\n0.466536 0.672479 0.130998 O\n0.966375 0.827235 0.367995 O\n0.533625 0.327235 0.867995 O\n0.062813 0.336110 0.616870 O\n0.437187 0.836110 0.116870 O\n0.938035 0.664220 0.384649 O\n0.561965 0.164220 0.884649 O\n0.806773 0.306606 0.403466 O\n0.693227 0.806606 0.903466 O\n0.190885 0.694059 0.596345 O\n0.309115 0.194059 0.096345 O\n0.714636 0.473448 0.437487 O\n0.785364 0.973448 0.937487 O\n0.282543 0.528091 0.563627 O\n0.217457 0.028091 0.063627 O\n0.738169 0.145062 0.399573 O\n0.761831 0.645062 0.899573 O\n0.263141 0.855014 0.600765 O\n0.236859 0.355014 0.100765 O\n0.353118 0.707091 0.002260 O\n0.146882 0.207091 0.502260 O\n0.646410 0.294874 0.997605 O\n0.853590 0.794874 0.497605 O\n0.655801 0.376583 0.548412 O\n0.844199 0.876583 0.048412 O\n0.343240 0.624170 0.452133 O\n0.156760 0.124170 0.952133 O\n0.535734 0.338608 0.389747 O\n0.964266 0.838608 0.889747 O\n0.462627 0.662685 0.611095 O\n0.037373 0.162685 0.111095 O\n0.825395 0.397637 0.698898 O\n0.674605 0.897637 0.198898 O\n0.174958 0.603189 0.301110 O\n0.325042 0.103189 0.801110 O\n0.204819 0.469398 0.996708 O\n0.295181 0.969398 0.496708 O\n0.794289 0.530398 0.003247 O\n0.705711 0.030398 0.503247 O\n0.001251 0.573457 0.906973 O\n0.498749 0.073457 0.406973 O\n-0.002303 0.426246 0.092976 O\n0.502303 0.926246 0.592976 O\n0.865483 0.052424 0.671975 O\n0.634517 0.552424 0.171975 O\n0.134785 0.947066 0.327102 O\n0.365215 0.447066 0.827102 O\n0.885872 0.233144 0.524425 O\n0.614128 0.733144 0.024425 O\n0.114504 0.768631 0.475654 O\n0.385496 0.268631 0.975654 O\n0.978284 0.180880 0.366323 O\n0.521716 0.680880 0.866323 O\n0.022067 0.821127 0.633712 O\n0.477933 0.321127 0.133712 O\n0.027209 0.509658 0.682991 O\n0.472791 0.009658 0.182991 O\n0.977399 0.490917 0.322793 O\n0.522601 0.990917 0.822793 O\n0.499648 0.335350 0.702169 O\n0.000352 0.835350 0.202169 O\n0.500253 0.664251 0.296925 O\n-0.000253 0.164251 0.796925 O\n0.308835 0.794083 0.873421 O\n0.191165 0.294083 0.373420 O\n0.684632 0.203056 0.122732 O\n0.815368 0.703056 0.622732 O\n0.586316 0.190948 0.547282 O\n0.913684 0.690948 0.047282 O\n0.414483 0.808787 0.452825 O\n0.085517 0.308787 0.952825 O\n0.793419 0.224227 0.711776 O\n0.706581 0.724227 0.211776 O\n0.206612 0.775544 0.287571 O\n0.293388 0.275544 0.787571 O\n0.059980 0.400903 0.788990 O\n0.440020 0.900903 0.288990 O\n0.938847 0.596527 0.212882 O\n0.561153 0.096527 0.712882 O\n",
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"density_atomic": 0.07090052271768442,
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"formula_full": "K20 Mn8 B8 P20 O84",
"formula_reduced": "K5Mn2B2P5O21",
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"spacegroup": 7
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{
"id": "mp-1180938",
"created_at": "2022-09-04T14:46:13.627058Z",
"structure_string": "Li12 Se6 O24\n1.0\n5.470643 -6.619105 0.000000\n5.470643 6.619105 0.000000\n-2.538021 0.000000 8.203592\nLi Se O\n12 6 24\ndirect\n0.542199 0.809424 0.424200 Li\n0.457801 0.190576 0.575800 Li\n0.106825 0.682080 0.878010 Li\n0.424200 0.542199 0.809424 Li\n0.809424 0.424200 0.542199 Li\n0.575800 0.457801 0.190576 Li\n0.682080 0.878010 0.106825 Li\n0.878010 0.106825 0.682080 Li\n0.190576 0.575800 0.457801 Li\n0.893175 0.317920 0.121990 Li\n0.317920 0.121990 0.893175 Li\n0.121990 0.893175 0.317920 Li\n0.136317 0.247903 0.580290 Se\n0.863683 0.752097 0.419710 Se\n0.752097 0.419710 0.863683 Se\n0.419710 0.863683 0.752097 Se\n0.247903 0.580290 0.136317 Se\n0.580290 0.136317 0.247903 Se\n0.390853 0.753750 0.560644 O\n0.560644 0.390853 0.753750 O\n0.128784 0.450609 0.213770 O\n0.175509 0.748505 0.142751 O\n0.609147 0.246250 0.439356 O\n0.939964 0.245596 0.515199 O\n0.753750 0.560644 0.390853 O\n0.450609 0.213770 0.128784 O\n0.251495 0.857249 0.824491 O\n0.245596 0.515199 0.939964 O\n0.549391 0.786230 0.871216 O\n0.857249 0.824491 0.251495 O\n0.439356 0.609147 0.246250 O\n0.246250 0.439356 0.609147 O\n0.484801 0.060036 0.754404 O\n0.213770 0.128784 0.450609 O\n0.786230 0.871216 0.549391 O\n0.515199 0.939964 0.245596 O\n0.060036 0.754404 0.484801 O\n0.754404 0.484801 0.060036 O\n0.824491 0.251495 0.857249 O\n0.871216 0.549391 0.786230 O\n0.142751 0.175509 0.748505 O\n0.748505 0.142751 0.175509 O\n",
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{
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"structure_string": "Na8 H32 W4 O48\n1.0\n0.000000 -8.624132 0.000000\n-9.960885 0.000000 0.517162\n-0.087754 0.000000 -12.443561\nNa H W O\n8 32 4 48\ndirect\n0.297803 0.375895 0.768524 Na\n0.797803 0.624105 0.731476 Na\n0.702197 0.624105 0.231476 Na\n0.202197 0.375895 0.268524 Na\n0.163187 0.157561 0.027880 Na\n0.663187 0.842439 0.472120 Na\n0.836813 0.842439 0.972120 Na\n0.336813 0.157561 0.527880 Na\n0.406057 0.032760 0.911570 H\n0.906057 0.967240 0.588430 H\n0.593943 0.967240 0.088430 H\n0.093943 0.032760 0.411570 H\n0.376894 0.160421 0.852749 H\n0.876894 0.839579 0.647251 H\n0.623106 0.839579 0.147251 H\n0.123106 0.160421 0.352749 H\n0.253744 0.035800 0.723113 H\n0.753744 0.964200 0.776887 H\n0.746256 0.964200 0.276887 H\n0.246256 0.035800 0.223113 H\n0.122656 0.134828 0.689229 H\n0.622656 0.865172 0.810771 H\n0.877344 0.865172 0.310771 H\n0.377344 0.134828 0.189229 H\n0.065321 0.409366 0.619848 H\n0.565321 0.590634 0.880152 H\n0.934679 0.590634 0.380152 H\n0.434679 0.409366 0.119848 H\n0.193544 0.485712 0.559459 H\n0.693544 0.514288 0.940541 H\n0.806456 0.514288 0.440541 H\n0.306456 0.485712 0.059459 H\n0.058176 0.482689 0.892870 H\n0.558176 0.517311 0.607130 H\n0.941824 0.517311 0.107130 H\n0.441824 0.482689 0.392870 H\n0.988721 0.337404 0.897163 H\n0.488721 0.662596 0.602837 H\n0.011279 0.662596 0.102837 H\n0.511279 0.337404 0.397163 H\n0.722225 0.237021 0.620780 W\n0.222225 0.762979 0.879220 W\n0.277775 0.762979 0.379220 W\n0.777775 0.237021 0.120780 W\n0.566014 0.300727 0.729797 O\n0.066014 0.699273 0.770203 O\n0.433986 0.699273 0.270203 O\n0.933986 0.300727 0.229797 O\n0.523155 0.345333 0.618884 O\n0.023155 0.654667 0.881116 O\n0.476845 0.654667 0.381116 O\n0.976845 0.345333 0.118884 O\n0.824573 0.140243 0.739018 O\n0.324573 0.859757 0.760982 O\n0.175427 0.859757 0.260982 O\n0.675427 0.140243 0.239018 O\n0.920217 0.131030 0.637650 O\n0.420217 0.868970 0.862350 O\n0.079783 0.868970 0.362350 O\n0.579783 0.131030 0.137650 O\n0.600174 0.071624 0.581055 O\n0.100174 0.928376 0.918945 O\n0.399826 0.928376 0.418945 O\n0.899826 0.071624 0.081055 O\n0.657465 0.143048 0.484014 O\n0.157465 0.856952 0.015986 O\n0.342535 0.856952 0.515986 O\n0.842535 0.143048 0.984014 O\n0.349774 0.593022 0.854283 O\n0.849774 0.406978 0.645717 O\n0.650226 0.406978 0.145717 O\n0.150226 0.593022 0.354283 O\n0.326848 0.632791 0.971329 O\n0.826848 0.367209 0.528671 O\n0.673152 0.367209 0.028671 O\n0.173152 0.632791 0.471329 O\n0.388032 0.130308 0.925763 O\n0.888032 0.869692 0.574237 O\n0.611968 0.869692 0.074237 O\n0.111968 0.130308 0.425763 O\n0.235053 0.129461 0.704204 O\n0.735053 0.870539 0.795796 O\n0.764947 0.870539 0.295796 O\n0.264947 0.129461 0.204204 O\n0.178293 0.413521 0.609500 O\n0.678293 0.586479 0.890500 O\n0.821707 0.586479 0.390500 O\n0.321707 0.413521 0.109500 O\n0.086023 0.385651 0.890790 O\n0.586023 0.614349 0.609210 O\n0.913977 0.614349 0.109210 O\n0.413977 0.385651 0.390790 O\n",
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},
{
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