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{
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{
"id": "mp-25446",
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"structure_string": "Li12 Ni4 P4 C4 O28\n1.0\n-4.971931 6.420781 -0.217076\n-4.972035 -6.420858 -0.216965\n-4.530863 -0.000108 8.169810\nLi Ni P C O\n12 4 4 4 28\ndirect\n0.178440 0.928438 0.103927 Li\n0.678427 0.428431 0.103915 Li\n0.321558 0.571562 0.896074 Li\n0.821572 0.071570 0.896086 Li\n0.261315 0.277177 0.725290 Li\n0.761313 0.777168 0.725276 Li\n0.238685 0.222825 0.274709 Li\n0.738687 0.722833 0.274724 Li\n0.027178 0.511308 0.725284 Li\n0.527167 0.011322 0.725282 Li\n0.472823 0.988693 0.274716 Li\n0.972834 0.488679 0.274717 Li\n0.312671 0.562698 0.332498 Ni\n0.187336 0.937294 0.667503 Ni\n0.812919 0.062895 0.332716 Ni\n0.687091 0.437100 0.667271 Ni\n0.054002 0.804002 0.413622 P\n0.553998 0.303994 0.413620 P\n0.445999 0.695999 0.586379 P\n0.946002 0.196007 0.586381 P\n0.511846 0.761845 0.041857 C\n0.011833 0.261834 0.041849 C\n0.988153 0.738155 0.958144 C\n0.488168 0.238167 0.958152 C\n0.582524 0.832516 0.420340 O\n0.082492 0.332500 0.420316 O\n0.917476 0.667483 0.579661 O\n0.417508 0.167500 0.579684 O\n0.371274 0.621265 0.073053 O\n0.871266 0.121278 0.073035 O\n0.128725 0.878735 0.926946 O\n0.628735 0.378722 0.926964 O\n0.956916 0.706909 0.836178 O\n0.456937 0.206943 0.836165 O\n0.543083 0.793089 0.163824 O\n0.043062 0.293057 0.163836 O\n0.200086 0.950093 0.437071 O\n0.700063 0.450055 0.437096 O\n0.299914 0.549908 0.562929 O\n0.799936 0.049945 0.562905 O\n0.118465 0.368459 0.896761 O\n0.618452 0.868459 0.896763 O\n0.381535 0.131543 0.103240 O\n0.881548 0.631542 0.103238 O\n0.351240 0.788959 0.692380 O\n0.851222 0.288963 0.692357 O\n0.538968 0.601217 0.692363 O\n0.038952 0.101237 0.692378 O\n0.148760 0.711041 0.307621 O\n0.648779 0.211037 0.307644 O\n0.961031 0.898784 0.307638 O\n0.461048 0.398764 0.307623 O\n",
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"formula_full": "Li12 Ni4 P4 C4 O28",
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{
"id": "mp-6127",
"created_at": "2022-09-04T14:39:47.035846Z",
"structure_string": "Ba4 Cu4 Si16 O40\n1.0\n7.521838 0.000000 0.000000\n0.000000 7.521838 0.000000\n0.000000 0.000000 16.553827\nBa Cu Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.097094 Cu\n0.000000 0.500000 0.402906 Cu\n0.000000 0.500000 0.902906 Cu\n0.500000 0.000000 0.597094 Cu\n0.186222 0.265482 0.655329 Si\n0.813778 0.734518 0.655329 Si\n0.265482 0.186222 0.844671 Si\n0.765482 0.313778 0.655329 Si\n0.234518 0.686222 0.655329 Si\n0.313778 0.765482 0.844671 Si\n0.686222 0.234518 0.844671 Si\n0.734518 0.813778 0.844671 Si\n0.313778 0.234518 0.344671 Si\n0.686222 0.765482 0.344671 Si\n0.234518 0.313778 0.155329 Si\n0.734518 0.186222 0.344671 Si\n0.265482 0.813778 0.344671 Si\n0.186222 0.734518 0.155329 Si\n0.813778 0.265482 0.155329 Si\n0.765482 0.686222 0.155329 Si\n0.276246 0.131151 0.591958 O\n0.723754 0.868849 0.591958 O\n0.131151 0.276246 0.908042 O\n0.631151 0.223754 0.591958 O\n0.368849 0.776246 0.591958 O\n0.223754 0.631151 0.908042 O\n0.776246 0.368849 0.908042 O\n0.868849 0.723754 0.908042 O\n0.223754 0.368849 0.408042 O\n0.776246 0.631151 0.408042 O\n0.368849 0.223754 0.091958 O\n0.868849 0.276246 0.408042 O\n0.131151 0.723754 0.408042 O\n0.276246 0.868849 0.091958 O\n0.723754 0.131151 0.091958 O\n0.250473 0.029027 0.362980 O\n0.631151 0.776246 0.091958 O\n0.750473 0.529027 0.637020 O\n0.470973 0.249527 0.862980 O\n0.970973 0.250473 0.637020 O\n0.029027 0.749527 0.637020 O\n0.250473 0.970973 0.862980 O\n0.749527 0.029027 0.862980 O\n0.529027 0.750473 0.862980 O\n0.722397 0.722397 0.250000 O\n0.777603 0.222397 0.250000 O\n0.222397 0.777603 0.250000 O\n0.277603 0.277603 0.250000 O\n0.777603 0.777603 0.750000 O\n0.722397 0.277603 0.750000 O\n0.277603 0.722397 0.750000 O\n0.222397 0.222397 0.750000 O\n0.970973 0.749527 0.137020 O\n0.750473 0.470973 0.137020 O\n0.249527 0.529027 0.137020 O\n0.470973 0.750473 0.362980 O\n0.529027 0.249527 0.362980 O\n0.029027 0.250473 0.137020 O\n0.749527 0.970973 0.362980 O\n0.249527 0.470973 0.637020 O\n",
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"elements": [
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],
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"volume": 936.5832003514176,
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"formula_full": "Ba4 Cu4 Si16 O40",
"formula_reduced": "BaCu(Si2O5)2",
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"spacegroup": 130
},
{
"id": "mp-862588",
"created_at": "2022-09-04T14:39:47.040780Z",
"structure_string": "Li1 Dy2 Tc1\n1.0\n0.000000 3.485902 3.485902\n3.485902 0.000000 3.485902\n3.485902 3.485902 0.000000\nLi Dy Tc\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Tc\n",
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"spacegroup": 225
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{
"id": "mp-1211769",
"created_at": "2022-09-04T14:39:47.042257Z",
"structure_string": "K4 Yb4 S8 O40\n1.0\n8.294752 0.000000 0.000000\n0.000000 9.978487 0.000000\n0.000000 1.514428 10.857776\nK Yb S O\n4 4 8 40\ndirect\n0.264592 0.910414 0.134166 K\n0.735408 0.089586 0.865834 K\n0.764592 0.589586 0.865834 K\n0.235408 0.410414 0.134166 K\n0.760051 0.971553 0.314737 Yb\n0.239949 0.028447 0.685263 Yb\n0.260051 0.528447 0.685263 Yb\n0.739949 0.471553 0.314737 Yb\n0.641733 0.690718 0.531833 S\n0.358267 0.309282 0.468167 S\n0.141733 0.809282 0.468167 S\n0.858267 0.190718 0.531833 S\n0.774459 0.790797 0.112299 S\n0.225541 0.209203 0.887701 S\n0.274459 0.709203 0.887701 S\n0.725541 0.290797 0.112299 S\n0.623212 0.848735 0.159494 O\n0.376788 0.151265 0.840506 O\n0.123212 0.651265 0.840506 O\n0.876788 0.348735 0.159494 O\n0.912651 0.848469 0.175073 O\n0.087349 0.151531 0.824927 O\n0.412651 0.651531 0.824927 O\n0.587349 0.348469 0.175073 O\n0.983596 0.875510 0.428556 O\n0.016404 0.124490 0.571444 O\n0.483596 0.624490 0.571444 O\n0.516404 0.375510 0.428556 O\n0.610509 0.806439 0.434563 O\n0.389491 0.193561 0.565437 O\n0.110509 0.693561 0.565437 O\n0.889491 0.306439 0.434563 O\n0.284600 0.674832 0.022293 O\n0.715400 0.325168 0.977707 O\n0.784600 0.825168 0.977707 O\n0.215400 0.174832 0.022293 O\n0.473622 0.565835 0.280451 O\n0.526378 0.434165 0.719549 O\n0.973622 0.934165 0.719549 O\n0.026378 0.065835 0.280451 O\n0.713256 0.738513 0.641187 O\n0.286744 0.261487 0.358813 O\n0.213256 0.761487 0.358813 O\n0.786744 0.238513 0.641187 O\n0.745818 0.591349 0.481712 O\n0.254182 0.408651 0.518288 O\n0.245818 0.908651 0.518288 O\n0.754182 0.091349 0.481712 O\n0.772182 0.640406 0.146461 O\n0.227818 0.359594 0.853539 O\n0.272182 0.859594 0.853539 O\n0.727818 0.140406 0.146461 O\n0.528836 0.968392 0.701140 O\n0.471164 0.031608 0.298860 O\n0.028836 0.531608 0.298860 O\n0.971164 0.468392 0.701140 O\n",
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{
"id": "mp-1039188",
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"structure_string": "Mg2 Bi2\n1.0\n3.274259 0.000000 0.000000\n0.000000 5.629904 0.000000\n0.000000 0.000000 5.923830\nMg Bi\n2 2\ndirect\n0.000000 0.750000 0.823198 Mg\n0.000000 0.250000 0.176802 Mg\n0.500000 0.750000 0.300549 Bi\n0.500000 0.250000 0.699451 Bi\n",
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{
"id": "mp-1228481",
"created_at": "2022-09-04T14:39:47.475816Z",
"structure_string": "Ba2 Pr2 Co4 O11\n1.0\n3.978916 0.000000 0.000000\n0.000000 7.754715 0.000000\n0.000000 0.000000 7.959836\nBa Pr Co O\n2 2 4 11\ndirect\n0.500000 0.000000 0.249262 Ba\n0.500000 0.000000 0.750738 Ba\n0.500000 0.500000 0.268785 Pr\n0.500000 0.500000 0.731215 Pr\n0.000000 0.746549 0.000000 Co\n0.000000 0.253451 0.000000 Co\n0.000000 0.748859 0.500000 Co\n0.000000 0.251141 0.500000 Co\n0.500000 0.694328 0.000000 O\n0.500000 0.305672 0.000000 O\n0.000000 0.708423 0.227900 O\n0.000000 0.708423 0.772100 O\n0.000000 0.291577 0.772100 O\n0.000000 0.291577 0.227900 O\n0.000000 0.000000 0.000000 O\n0.500000 0.730592 0.500000 O\n0.500000 0.269408 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-744380",
"created_at": "2022-09-04T14:39:47.500569Z",
"structure_string": "Ca18 La2 Ti8 Mn12 O60\n1.0\n5.395427 0.004906 -0.001200\n0.004910 5.441788 -0.002773\n0.006566 -0.016785 38.356439\nCa La Ti Mn O\n18 2 8 12 60\ndirect\n0.013091 0.965689 0.150273 Ca\n0.013181 0.967323 0.349608 Ca\n0.012335 0.965887 0.550028 Ca\n0.013372 0.965953 0.749827 Ca\n0.492620 0.459705 0.348645 Ca\n0.491769 0.459045 0.150110 Ca\n0.491321 0.460290 0.551340 Ca\n0.492559 0.459886 0.750019 Ca\n0.491671 0.464023 0.948425 Ca\n0.506963 0.538295 0.050602 Ca\n0.507839 0.541032 0.249516 Ca\n0.507441 0.540060 0.650313 Ca\n0.509886 0.536835 0.849777 Ca\n0.987688 0.033768 0.051206 Ca\n0.986460 0.034611 0.249768 Ca\n0.986124 0.034547 0.649989 Ca\n0.989840 0.033610 0.451704 Ca\n0.987996 0.037217 0.848808 Ca\n0.005661 0.974966 0.948399 La\n0.503585 0.527195 0.451578 La\n0.999855 0.499056 0.001073 Ti\n0.998963 0.499919 0.100589 Ti\n0.999831 0.499887 0.199912 Ti\n0.000526 0.501331 0.299190 Ti\n0.999360 0.499284 0.398682 Ti\n0.001330 0.500327 0.600385 Ti\n0.999944 0.499887 0.700027 Ti\n0.999122 0.501961 0.799710 Ti\n0.999514 0.500541 0.501680 Mn\n0.001683 0.499548 0.898469 Mn\n0.499958 0.999278 0.100246 Mn\n0.498705 0.999673 0.000809 Mn\n0.498856 0.000372 0.299687 Mn\n0.500267 0.000120 0.199936 Mn\n0.502327 0.999257 0.399292 Mn\n0.500383 0.000168 0.501815 Mn\n0.499349 0.000202 0.600585 Mn\n0.501274 0.000108 0.898096 Mn\n0.500159 0.000040 0.700061 Mn\n0.499607 0.999664 0.799540 Mn\n0.072242 0.485585 0.049727 O\n0.073567 0.484483 0.249936 O\n0.059386 0.487672 0.450828 O\n0.071891 0.484560 0.649918 O\n0.074349 0.485891 0.850176 O\n0.219362 0.217174 0.191698 O\n0.225251 0.221525 0.392310 O\n0.217930 0.215320 0.591947 O\n0.218126 0.215881 0.108057 O\n0.219066 0.215878 0.791970 O\n0.218038 0.217109 0.308358 O\n0.224042 0.219510 0.992566 O\n0.220906 0.220414 0.508372 O\n0.220163 0.216728 0.708322 O\n0.223638 0.222967 0.906958 O\n0.284291 0.718192 0.108006 O\n0.284786 0.718721 0.191869 O\n0.283177 0.719970 0.308053 O\n0.287570 0.718542 0.392584 O\n0.283821 0.720245 0.592347 O\n0.287668 0.714330 0.508163 O\n0.281999 0.721291 0.991717 O\n0.285510 0.719495 0.708201 O\n0.284895 0.719154 0.791767 O\n0.280884 0.720056 0.908017 O\n0.417918 0.979796 0.050241 O\n0.416415 0.981642 0.249873 O\n0.414531 0.980594 0.650364 O\n0.424493 0.993838 0.450116 O\n0.417622 0.978893 0.848928 O\n0.582690 0.017265 0.349745 O\n0.583026 0.018652 0.150084 O\n0.582475 0.017752 0.551088 O\n0.585176 0.019837 0.749798 O\n0.563928 0.014264 0.949786 O\n0.720166 0.276676 0.007637 O\n0.715001 0.280486 0.091835 O\n0.715703 0.281004 0.207979 O\n0.713368 0.282210 0.291995 O\n0.720854 0.276471 0.407283 O\n0.712240 0.281332 0.608120 O\n0.723116 0.277487 0.493040 O\n0.714851 0.280268 0.692015 O\n0.714306 0.280288 0.807922 O\n0.721269 0.279660 0.891594 O\n0.779952 0.781927 0.091755 O\n0.781686 0.783801 0.007460 O\n0.781046 0.783191 0.208161 O\n0.779866 0.783637 0.291700 O\n0.780654 0.780026 0.491966 O\n0.780329 0.783755 0.691853 O\n0.779282 0.782179 0.408683 O\n0.778360 0.783259 0.608276 O\n0.779964 0.783253 0.807953 O\n0.787690 0.785198 0.891708 O\n0.926031 0.515328 0.149974 O\n0.926874 0.517469 0.350391 O\n0.926568 0.517286 0.549704 O\n0.927475 0.514914 0.750228 O\n0.930098 0.505112 0.949152 O\n",
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{
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{
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