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{
"id": "mp-1356129",
"created_at": "2022-09-04T14:40:52.061451Z",
"structure_string": "Fe16 O24\n1.0\n4.732976 6.737138 0.000000\n-4.732976 6.737138 0.000000\n0.000000 6.686163 6.737754\nFe O\n16 24\ndirect\n0.536473 0.463527 0.000000 Fe\n0.249788 0.246550 0.540181 Fe\n0.464621 0.535379 0.500000 Fe\n0.782695 0.279318 0.722467 Fe\n0.042313 0.957687 0.000000 Fe\n0.212495 0.711936 0.785774 Fe\n0.288064 0.787505 0.214226 Fe\n0.720682 0.217305 0.277533 Fe\n0.964777 0.035223 0.500000 Fe\n0.753450 0.750212 0.459819 Fe\n0.248339 0.244446 0.043822 Fe\n0.755554 0.751661 0.956178 Fe\n0.503324 0.996592 0.253821 Fe\n0.003408 0.496676 0.746179 Fe\n0.500660 0.994873 0.753027 Fe\n0.005127 0.499340 0.246973 Fe\n0.761135 0.541430 0.715627 O\n0.994719 0.222855 0.802255 O\n0.957191 0.270527 0.248117 O\n0.272081 0.496806 0.028492 O\n0.220955 0.538050 0.485910 O\n0.461950 0.779045 0.514090 O\n0.276674 0.952716 0.747298 O\n0.502568 0.268628 0.526195 O\n0.774817 0.455044 0.027596 O\n0.777145 0.005281 0.197745 O\n0.263653 0.040223 0.985488 O\n0.959777 0.736347 0.014512 O\n0.731372 0.497432 0.473805 O\n0.047866 0.258785 0.483671 O\n0.006379 0.769746 0.706149 O\n0.729473 0.042809 0.751883 O\n0.503194 0.727919 0.971508 O\n0.230254 0.993621 0.293851 O\n0.741215 0.952134 0.516329 O\n0.544674 0.757370 0.214934 O\n0.544956 0.225183 0.972404 O\n0.458570 0.238865 0.284373 O\n0.242630 0.455326 0.785066 O\n0.047284 0.723326 0.252702 O\n",
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{
"id": "mp-1020658",
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"structure_string": "Na2 B2 S4 O16\n1.0\n7.687532 0.000000 0.000000\n0.000000 5.552826 0.000000\n0.000000 2.523811 7.471227\nNa B S O\n2 2 4 16\ndirect\n0.567048 0.500000 0.750000 Na\n0.432952 0.500000 0.250000 Na\n0.958064 0.000000 0.250000 B\n0.041936 0.000000 0.750000 B\n0.223195 0.870231 0.496159 S\n0.223195 0.129769 0.003841 S\n0.776805 0.129769 0.503841 S\n0.776805 0.870231 0.996159 S\n0.284970 0.126820 0.417588 O\n0.284970 0.873180 0.082412 O\n0.715030 0.873180 0.582412 O\n0.715030 0.126820 0.917588 O\n0.060880 0.821208 0.394040 O\n0.060880 0.178792 0.105960 O\n0.939120 0.178792 0.605960 O\n0.939120 0.821208 0.894040 O\n0.153782 0.826409 0.687721 O\n0.153782 0.173591 0.812279 O\n0.846218 0.173591 0.312279 O\n0.846218 0.826409 0.187721 O\n0.343445 0.665096 0.510700 O\n0.343445 0.334904 0.989300 O\n0.656555 0.334904 0.489300 O\n0.656555 0.665096 0.010700 O\n",
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},
{
"id": "mp-1173860",
"created_at": "2022-09-04T14:40:52.070838Z",
"structure_string": "Na8 Al8 Si12 H16 O48\n1.0\n12.142144 0.863192 5.276116\n8.477668 9.978889 3.705015\n-0.770002 0.194476 9.958742\nNa Al Si H O\n8 8 12 16 48\ndirect\n0.246419 0.064098 0.560298 Na\n0.156214 0.559896 0.935949 Na\n0.462702 0.441640 0.061219 Na\n0.121167 0.937915 0.435568 Na\n0.747526 0.062474 0.559095 Na\n0.651489 0.562514 0.938330 Na\n0.963453 0.439152 0.060074 Na\n0.618580 0.940138 0.439231 Na\n0.205233 0.076188 0.185868 Al\n0.148603 0.691567 0.582957 Al\n0.703945 0.078003 0.190177 Al\n0.443219 0.425652 0.686751 Al\n0.417902 0.580783 0.314634 Al\n0.412014 0.921656 0.813284 Al\n0.944397 0.423147 0.686129 Al\n0.920920 0.577456 0.312313 Al\n0.998582 0.000434 0.002555 Si\n0.065662 0.189518 0.918679 Si\n0.500116 0.999948 0.999558 Si\n0.123298 0.501339 0.499137 Si\n0.471651 0.311453 0.421644 Si\n0.566361 0.188862 0.924440 Si\n0.310374 0.807425 0.078039 Si\n0.626638 0.498778 0.497868 Si\n0.650233 0.690373 0.579501 Si\n0.973374 0.309869 0.419447 Si\n0.807833 0.811312 0.080108 Si\n0.908975 0.923842 0.817231 Si\n0.374024 0.100049 0.291005 H\n0.347120 0.199533 0.386059 H\n0.147885 0.403009 0.790085 H\n0.146409 0.598560 0.211025 H\n0.269786 0.300367 0.883245 H\n0.166356 0.697678 0.115523 H\n0.172951 0.898268 0.709147 H\n0.337902 0.799361 0.613652 H\n0.874191 0.100081 0.291180 H\n0.847213 0.199352 0.386063 H\n0.647609 0.402490 0.789923 H\n0.645927 0.598442 0.210157 H\n0.770417 0.300380 0.882956 H\n0.664406 0.698750 0.114815 H\n0.671600 0.898978 0.709429 H\n0.839926 0.798757 0.612831 H\n0.089374 0.194777 0.065955 O\n0.106564 0.145535 0.359254 O\n0.004378 0.304118 0.567197 O\n0.224850 0.080748 0.803813 O\n0.366156 0.047093 0.138685 O\n0.063609 0.448210 0.636529 O\n0.061922 0.540390 0.358541 O\n0.381414 0.107045 0.383024 O\n0.166297 0.392513 0.883688 O\n0.069219 0.642107 0.545712 O\n0.194822 0.607805 0.116523 O\n0.309416 0.360800 0.452166 O\n0.990235 0.868799 0.656189 O\n0.589905 0.195378 0.069577 O\n0.482207 0.135911 0.951354 O\n0.162169 0.860412 0.041316 O\n0.253932 0.581175 0.709665 O\n0.604730 0.145963 0.362564 O\n0.245651 0.705574 0.427777 O\n0.990118 0.954625 0.870003 O\n0.506015 0.303612 0.568374 O\n0.471059 0.418578 0.305210 O\n0.462682 0.347125 0.857648 O\n0.411016 0.643696 0.136294 O\n0.250952 0.917150 0.192391 O\n0.732643 0.073538 0.813750 O\n0.865083 0.047650 0.140395 O\n0.234361 0.893316 0.617460 O\n0.563955 0.451143 0.636869 O\n0.562008 0.544070 0.359141 O\n0.880968 0.107162 0.383504 O\n0.667054 0.392600 0.882655 O\n0.581645 0.637250 0.544698 O\n0.414803 0.801920 0.931172 O\n0.696992 0.606761 0.116991 O\n0.811145 0.359019 0.451750 O\n0.505729 0.854029 0.639328 O\n0.979816 0.135840 0.948173 O\n0.663291 0.861807 0.043195 O\n0.752119 0.583014 0.696094 O\n0.746118 0.697263 0.432564 O\n0.501915 0.953330 0.863840 O\n0.968942 0.419186 0.303168 O\n0.951647 0.353514 0.860411 O\n0.910289 0.647367 0.136200 O\n0.752065 0.917750 0.194397 O\n0.734634 0.892374 0.617674 O\n0.911051 0.811472 0.929945 O\n",
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"elements": [
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"volume": 1171.8031593567198,
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"formula_full": "Na8 Al8 Si12 H16 O48",
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{
"id": "mp-961658",
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"structure_string": "V1 Fe1 Se1\n1.0\n0.000000 2.787027 2.787027\n2.787027 0.000000 2.787027\n2.787027 2.787027 0.000000\nV Fe Se\n1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "mp-17862",
"created_at": "2022-09-04T14:40:52.093065Z",
"structure_string": "Ag6 Ge10 P12\n1.0\n-5.221697 5.221697 5.221697\n5.221697 -5.221697 5.221697\n5.221697 5.221697 -5.221697\nAg Ge P\n6 10 12\ndirect\n0.802815 0.000000 0.802815 Ag\n0.197186 0.197186 0.000000 Ag\n0.802815 0.802815 0.000000 Ag\n0.000000 0.197186 0.197185 Ag\n0.000000 0.802815 0.802814 Ag\n0.197186 0.000000 0.197186 Ag\n0.500000 0.250000 0.750000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.750000 0.500000 0.250000 Ge\n0.422124 0.422124 0.422124 Ge\n0.000000 0.577876 0.000000 Ge\n0.577876 0.000000 0.000000 Ge\n0.000000 0.000000 0.577876 Ge\n0.250000 0.500000 0.750000 Ge\n0.500000 0.750000 0.250000 Ge\n0.511098 0.511098 0.742706 P\n0.000000 0.231608 0.488902 P\n0.231608 0.000000 0.488902 P\n0.768392 0.257294 0.768392 P\n0.257294 0.768392 0.768392 P\n0.742706 0.511098 0.511098 P\n0.511098 0.742706 0.511098 P\n0.231608 0.488902 0.000000 P\n0.488902 0.231608 0.000000 P\n0.768392 0.768392 0.257294 P\n0.488902 0.000000 0.231608 P\n0.000000 0.488902 0.231608 P\n",
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{
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"structure_string": "Cu6 Te2 Mo2 H2 Cl4 O15\n1.0\n6.204700 0.003196 0.484020\n0.368811 6.378141 0.951390\n0.049991 0.045575 12.128534\nCu Te Mo H Cl O\n6 2 2 2 4 15\ndirect\n0.339950 0.467296 0.105280 Cu\n0.659190 0.531454 0.894425 Cu\n0.011658 0.101547 0.106340 Cu\n0.989029 0.897112 0.893971 Cu\n0.328712 0.963544 0.305636 Cu\n0.666527 0.045478 0.693878 Cu\n0.166459 0.385611 0.840381 Te\n0.832528 0.613135 0.158208 Te\n0.151285 0.951712 0.607987 Mo\n0.848824 0.040031 0.393073 Mo\n0.913767 0.556804 0.405191 H\n0.994120 0.605815 0.516559 H\n0.343265 0.534244 0.280032 Cl\n0.657485 0.464067 0.720371 Cl\n0.482409 0.044153 0.133334 Cl\n0.513995 0.955110 0.865073 Cl\n0.633961 0.545391 0.058071 O\n0.365017 0.454672 0.940572 O\n0.196665 0.681522 0.640119 O\n0.810946 0.309816 0.352920 O\n0.016052 0.172711 0.942165 O\n0.983779 0.826843 0.057516 O\n0.169892 0.997643 0.446624 O\n0.838282 0.033107 0.555261 O\n0.028376 0.976572 0.261744 O\n0.971904 0.017399 0.738723 O\n0.598988 0.941772 0.369024 O\n0.388885 0.075552 0.629973 O\n0.042413 0.391869 0.124300 O\n0.956568 0.606962 0.875071 O\n0.898870 0.659554 0.457479 O\n",
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{
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"structure_string": "Sr2 Mn2 Zn2 P4 O16\n1.0\n5.532502 0.000000 0.000000\n-0.973537 6.979479 0.000000\n-1.965969 -3.673685 8.589514\nSr Mn Zn P O\n2 2 2 4 16\ndirect\n0.198265 0.752105 0.047071 Sr\n0.801735 0.247895 0.952929 Sr\n0.068794 0.278580 0.558316 Mn\n0.931206 0.721420 0.441684 Mn\n0.351018 0.729808 0.645525 Zn\n0.648982 0.270192 0.354475 Zn\n0.161538 0.193378 0.226193 P\n0.838462 0.806622 0.773807 P\n0.539338 0.720491 0.299025 P\n0.460662 0.279509 0.700975 P\n0.903574 0.652001 0.902449 O\n0.450174 0.261244 0.213661 O\n0.893590 0.026248 0.775550 O\n0.261059 0.420024 0.697834 O\n0.549826 0.738756 0.786339 O\n0.429068 0.174411 0.580606 O\n0.570932 0.825589 0.419394 O\n0.394405 0.128547 0.866358 O\n0.106410 0.973752 0.224450 O\n0.605595 0.871453 0.133642 O\n0.096426 0.347999 0.097551 O\n0.971605 0.190912 0.385513 O\n0.028395 0.809088 0.614487 O\n0.256116 0.586759 0.359598 O\n0.738941 0.579976 0.302166 O\n0.743884 0.413241 0.640402 O\n",
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{
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"structure_string": "Ca3 Bi1 As1\n1.0\n5.530000 0.000000 0.000000\n0.000000 5.530000 0.000000\n0.000000 0.000000 5.530000\nCa Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 As\n",
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{
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{
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"structure_string": "Li2 Dy6\n1.0\n3.500185 -6.062499 0.000000\n3.500185 6.062499 0.000000\n0.000000 0.000000 5.515362\nLi Dy\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.831013 0.168987 0.750000 Dy\n0.337975 0.168987 0.750000 Dy\n0.831013 0.662025 0.750000 Dy\n0.168987 0.831013 0.250000 Dy\n0.662025 0.831013 0.250000 Dy\n0.168987 0.337975 0.250000 Dy\n",
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{
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{
"id": "mp-1188229",
"created_at": "2022-09-04T14:40:52.083939Z",
"structure_string": "Bi4 P4 Pb8\n1.0\n0.000000 0.000000 5.123582\n8.072509 0.000000 0.000000\n0.000000 12.222318 0.000000\nBi P Pb\n4 4 8\ndirect\n0.694541 0.250000 0.351282 Bi\n0.194541 0.250000 0.148718 Bi\n0.305459 0.750000 0.648718 Bi\n0.805459 0.750000 0.851282 Bi\n0.155366 0.750000 0.037730 P\n0.655366 0.750000 0.462270 P\n0.844634 0.250000 0.962270 P\n0.344634 0.250000 0.537730 P\n0.734571 0.519615 0.108527 Pb\n0.234571 0.980385 0.391473 Pb\n0.265429 0.019615 0.891473 Pb\n0.765429 0.480385 0.608527 Pb\n0.265429 0.480385 0.891473 Pb\n0.765429 0.019615 0.608527 Pb\n0.734571 0.980385 0.108527 Pb\n0.234571 0.519615 0.391473 Pb\n",
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]
}