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{
"id": "mp-561242",
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"structure_string": "Ta2 Ag2 S6\n1.0\n1.695962 -7.181135 0.000000\n1.695962 7.181135 0.000000\n0.000000 0.000000 7.785585\nTa Ag S\n2 2 6\ndirect\n0.262856 0.737144 0.510676 Ta\n0.737144 0.262856 0.010676 Ta\n0.003033 0.996967 0.755986 Ag\n0.996967 0.003033 0.255986 Ag\n0.325674 0.674326 0.190627 S\n0.325353 0.674647 0.830788 S\n0.674647 0.325353 0.330788 S\n0.104444 0.895556 0.010923 S\n0.895556 0.104444 0.510923 S\n0.674326 0.325674 0.690627 S\n",
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{
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"structure_string": "Co12 B28 I4 O52\n1.0\n8.435753 0.000000 0.000000\n0.000000 9.380065 0.000000\n0.000000 0.000000 12.944774\nCo B I O\n12 28 4 52\ndirect\n0.145901 0.748834 0.257085 Co\n0.145901 0.751166 0.757085 Co\n0.854099 0.251166 0.757085 Co\n0.209382 0.311199 0.779219 Co\n0.790618 0.688801 0.279219 Co\n0.499247 0.962347 0.483906 Co\n0.854099 0.248834 0.257085 Co\n0.209382 0.188801 0.279219 Co\n0.500753 0.462347 0.483906 Co\n0.500753 0.037653 0.983906 Co\n0.790618 0.811199 0.779219 Co\n0.499247 0.537653 0.983906 Co\n0.177934 0.519482 0.440929 B\n0.221168 0.757587 0.533818 B\n0.970193 0.515215 0.773136 B\n0.973428 0.872417 0.586172 B\n0.026572 0.372417 0.586172 B\n0.029807 0.484785 0.273136 B\n0.461403 0.788686 0.126531 B\n0.729729 0.727819 0.013225 B\n0.149489 0.496579 0.942140 B\n0.177934 0.980518 0.940929 B\n0.729729 0.772181 0.513225 B\n0.778832 0.257587 0.533818 B\n0.778832 0.242413 0.033818 B\n0.850511 0.503421 0.442140 B\n0.822066 0.480518 0.940929 B\n0.270271 0.272181 0.513225 B\n0.973428 0.627583 0.086172 B\n0.149489 0.003421 0.442140 B\n0.970193 0.984785 0.273136 B\n0.461403 0.711314 0.626531 B\n0.221168 0.742413 0.033818 B\n0.538597 0.288686 0.126531 B\n0.822066 0.019482 0.440929 B\n0.538597 0.211314 0.626531 B\n0.026572 0.127583 0.086172 B\n0.029807 0.015215 0.773136 B\n0.850511 0.996579 0.942140 B\n0.270271 0.227819 0.013225 B\n0.553918 0.955010 0.226641 I\n0.446082 0.044990 0.726641 I\n0.446082 0.455010 0.226641 I\n0.553918 0.544990 0.726641 I\n0.860212 0.431871 0.838732 O\n0.940112 0.835259 0.267184 O\n0.224711 0.353603 0.952454 O\n0.552988 0.740304 0.048424 O\n0.282028 0.624301 0.489483 O\n0.937941 0.249942 0.055552 O\n0.447012 0.240304 0.048424 O\n0.686358 0.243110 0.144671 O\n0.037874 0.934697 0.678372 O\n0.137562 0.990266 0.324639 O\n0.714667 0.609680 0.937000 O\n0.268215 0.604030 0.981657 O\n0.062059 0.750058 0.555552 O\n0.809304 0.826324 0.603772 O\n0.962126 0.065303 0.178372 O\n0.059888 0.335259 0.267184 O\n0.937941 0.250058 0.555552 O\n0.037874 0.565303 0.178372 O\n0.016652 0.478480 0.491358 O\n0.731785 0.104030 0.981657 O\n0.268215 0.895970 0.481657 O\n0.775289 0.853603 0.952454 O\n0.139788 0.568129 0.338732 O\n0.313642 0.743110 0.144671 O\n0.285333 0.390320 0.437000 O\n0.139788 0.931871 0.838732 O\n0.717972 0.375699 0.989483 O\n0.313642 0.756890 0.644671 O\n0.137562 0.509734 0.824639 O\n0.016652 0.021520 0.991358 O\n0.983348 0.978480 0.491358 O\n0.962126 0.434697 0.678372 O\n0.062059 0.749942 0.055552 O\n0.717972 0.124301 0.489483 O\n0.224711 0.146397 0.452454 O\n0.714667 0.890320 0.437000 O\n0.731785 0.395970 0.481657 O\n0.775289 0.646397 0.452454 O\n0.447012 0.259696 0.548424 O\n0.862438 0.009734 0.824639 O\n0.282028 0.875699 0.989483 O\n0.285333 0.109680 0.937000 O\n0.940112 0.664741 0.767184 O\n0.983348 0.521520 0.991358 O\n0.552988 0.759696 0.548424 O\n0.059888 0.164741 0.767184 O\n0.860212 0.068129 0.338732 O\n0.862438 0.490266 0.324639 O\n0.190696 0.326324 0.603772 O\n0.686358 0.256890 0.644671 O\n0.809304 0.673676 0.103772 O\n0.190696 0.173676 0.103772 O\n",
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{
"id": "mp-638900",
"created_at": "2022-09-04T14:40:11.368289Z",
"structure_string": "Si6 O14\n1.0\n8.954001 0.000000 0.000000\n-1.061413 8.927533 0.000000\n-2.963595 -1.809074 8.401884\nSi O\n6 14\ndirect\n0.586386 0.929331 0.099850 Si\n0.814187 0.705309 0.014514 Si\n0.893423 0.089318 0.373164 Si\n0.101805 0.688275 0.307972 Si\n0.005915 0.336222 0.210623 Si\n0.710177 0.355927 0.921460 Si\n0.103043 0.268981 0.097174 O\n0.996738 0.228452 0.339870 O\n0.703500 0.061088 0.255408 O\n0.951703 0.983341 0.488922 O\n0.097274 0.506153 0.314774 O\n0.539058 0.237697 0.849226 O\n0.915387 0.759796 0.910643 O\n0.695392 0.834618 0.023157 O\n0.696168 0.537415 0.935970 O\n0.779886 0.296358 0.781248 O\n0.246488 0.759967 0.254167 O\n0.922298 0.707101 0.199308 O\n0.821552 0.331560 0.096560 O\n0.171850 0.797963 0.487870 O\n",
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"volume": 671.6225726107249,
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"formula_full": "Si6 O14",
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{
"id": "mp-1245144",
"created_at": "2022-09-04T14:40:11.382646Z",
"structure_string": "Cr16 Fe16 O48\n1.0\n10.231062 -0.523644 -0.409521\n-0.536426 10.878338 -0.255727\n-0.398879 -0.265212 9.414511\nCr Fe O\n16 16 48\ndirect\n0.919094 0.333886 0.892231 Cr\n0.470588 0.169953 0.034586 Cr\n0.782148 0.110452 0.470519 Cr\n0.209530 0.974394 0.097306 Cr\n0.874495 0.365070 0.590402 Cr\n0.435269 0.708338 0.476557 Cr\n0.141776 0.833335 0.735236 Cr\n0.487520 0.184214 0.651012 Cr\n0.194117 0.785220 0.317964 Cr\n0.647044 0.487653 0.672005 Cr\n0.362754 0.970292 0.847079 Cr\n0.122293 0.525518 0.641642 Cr\n0.775076 0.792470 0.641841 Cr\n0.971286 0.153687 0.046187 Cr\n0.955800 0.978488 0.276324 Cr\n0.568657 0.945459 0.553677 Cr\n0.263773 0.338481 0.151675 Fe\n0.765018 0.578430 0.050626 Fe\n0.022082 0.281172 0.391549 Fe\n0.687189 0.795939 0.269342 Fe\n0.570199 0.506563 0.303566 Fe\n0.662911 0.927190 0.037240 Fe\n0.101875 0.551150 0.945115 Fe\n0.383189 0.690762 0.115557 Fe\n0.872321 0.606221 0.415085 Fe\n0.725140 0.300969 0.199422 Fe\n0.142212 0.531092 0.274916 Fe\n0.259532 0.031050 0.481836 Fe\n0.364123 0.377653 0.482701 Fe\n0.905773 0.839010 0.949376 Fe\n0.567658 0.726414 0.834100 Fe\n0.988325 0.044600 0.678823 Fe\n0.047805 0.675099 0.345397 O\n0.301693 0.838157 0.474193 O\n0.649549 0.575723 0.864548 O\n0.592121 0.115214 0.497348 O\n0.783084 0.286851 0.407524 O\n0.804410 0.589408 0.606934 O\n0.550848 0.317776 0.084675 O\n0.109694 0.652997 0.768497 O\n0.947514 0.148150 0.839215 O\n0.425525 0.384675 0.293350 O\n0.913464 0.502988 0.991233 O\n0.726991 0.838920 0.849790 O\n0.278985 0.507188 0.597165 O\n0.510894 0.790675 0.998889 O\n0.457922 0.006305 0.675055 O\n0.186737 0.363900 0.337312 O\n0.533379 0.556410 0.494745 O\n0.154553 0.991172 0.643093 O\n0.974245 0.151005 0.251413 O\n0.327986 0.815007 0.769219 O\n0.952096 0.859799 0.736564 O\n0.411329 0.162125 0.850679 O\n0.539014 0.844430 0.386064 O\n0.993491 0.471374 0.485146 O\n0.830494 0.245313 0.040978 O\n0.928853 0.008409 0.472304 O\n0.772527 0.359639 0.738919 O\n0.183514 0.957001 0.893391 O\n0.217917 0.794339 0.126504 O\n0.311679 0.173764 0.121184 O\n0.759576 0.504019 0.255202 O\n0.087304 0.289679 0.035347 O\n0.938204 0.212123 0.577337 O\n0.512315 0.360086 0.632030 O\n0.756963 0.964336 0.239702 O\n0.150036 0.959627 0.303564 O\n0.999980 0.982919 0.068198 O\n0.739978 0.967014 0.610625 O\n0.566853 0.772361 0.635446 O\n0.818801 0.746611 0.108971 O\n0.609836 0.095453 0.035621 O\n0.801570 0.760864 0.430968 O\n0.307478 0.649121 0.317603 O\n0.029812 0.410464 0.744166 O\n0.242269 0.507177 0.081284 O\n0.331242 0.203423 0.527441 O\n0.390671 0.982620 0.043863 O\n0.566636 0.645847 0.196275 O\n",
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"formula_full": "Cr16 Fe16 O48",
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{
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"created_at": "2022-09-04T14:40:11.388097Z",
"structure_string": "Li2 Cu4 C4 O12\n1.0\n5.674067 0.000000 0.000000\n-0.116068 6.389026 0.000000\n-0.916081 -0.354329 7.583354\nLi Cu C O\n2 4 4 12\ndirect\n0.054911 0.751815 0.200309 Li\n0.945089 0.248185 0.799691 Li\n0.307656 0.055415 0.020209 Cu\n0.217683 0.541862 0.501557 Cu\n0.782317 0.458138 0.498443 Cu\n0.692344 0.944585 0.979791 Cu\n0.023938 0.666087 0.802556 C\n0.458798 0.177851 0.703993 C\n0.541202 0.822149 0.296007 C\n0.976062 0.333913 0.197444 C\n0.006784 0.786230 0.941232 O\n0.274731 0.167513 0.790113 O\n0.215759 0.671669 0.729089 O\n0.155679 0.460561 0.255462 O\n0.456017 0.282548 0.565474 O\n0.347466 0.919400 0.238105 O\n0.652534 0.080600 0.761895 O\n0.543983 0.717452 0.434526 O\n0.844321 0.539439 0.744538 O\n0.784241 0.328331 0.270911 O\n0.725269 0.832487 0.209887 O\n0.993216 0.213770 0.058768 O\n",
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"volume": 274.909941251033,
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"formula_full": "Li2 Cu4 C4 O12",
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{
"id": "mp-1189044",
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"structure_string": "Ti12 Ge4\n1.0\n-5.109062 5.109062 2.569446\n5.109062 -5.109062 2.569446\n5.109062 5.109062 -2.569446\nTi Ge\n12 4\ndirect\n0.321919 0.299611 0.188141 Ti\n0.111470 0.133778 0.811859 Ti\n0.866222 0.678081 0.977692 Ti\n0.700389 0.888530 0.022308 Ti\n0.008457 0.339021 0.380144 Ti\n0.958877 0.628313 0.619856 Ti\n0.371687 0.991543 0.330564 Ti\n0.660979 0.041123 0.669436 Ti\n0.978133 0.948774 0.402905 Ti\n0.545870 0.575229 0.597095 Ti\n0.424771 0.021867 0.970641 Ti\n0.051226 0.454130 0.029359 Ti\n0.511574 0.769347 0.324517 Ge\n0.444830 0.187057 0.675483 Ge\n0.812943 0.488426 0.257773 Ge\n0.230653 0.555170 0.742227 Ge\n",
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{
"id": "mp-769252",
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"structure_string": "Sr6 Ta4 O16\n1.0\n4.604706 5.256627 0.000000\n-4.604706 5.256627 0.000000\n0.000000 3.681600 8.688109\nSr Ta O\n6 4 16\ndirect\n0.614561 0.737076 0.496803 Sr\n0.723514 0.276486 0.750000 Sr\n0.262924 0.385439 0.003197 Sr\n0.737076 0.614561 0.996803 Sr\n0.276486 0.723514 0.250000 Sr\n0.385439 0.262924 0.503197 Sr\n0.209056 0.929368 0.880348 Ta\n0.929368 0.209056 0.380348 Ta\n0.070632 0.790944 0.619652 Ta\n0.790944 0.070632 0.119652 Ta\n0.065032 0.702713 0.851312 O\n0.702713 0.065032 0.351312 O\n0.838781 0.633773 0.679526 O\n0.390583 0.722708 0.964633 O\n0.945410 0.101166 0.892367 O\n0.633773 0.838781 0.179526 O\n0.722708 0.390583 0.464633 O\n0.898834 0.054590 0.607633 O\n0.101166 0.945410 0.392367 O\n0.277292 0.609417 0.535367 O\n0.366227 0.161219 0.820474 O\n0.054590 0.898834 0.107633 O\n0.609417 0.277292 0.035367 O\n0.161219 0.366227 0.320474 O\n0.297287 0.934968 0.648688 O\n0.934968 0.297287 0.148688 O\n",
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{
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{
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