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{
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{
"id": "mp-774835",
"created_at": "2022-09-04T14:48:09.596236Z",
"structure_string": "Li8 Fe7 P8 O32\n1.0\n-0.014126 6.103944 4.788994\n0.014126 6.103944 -4.788994\n-10.264971 0.000000 -4.757916\nLi Fe P O\n8 7 8 32\ndirect\n0.258707 0.250910 0.518981 Li\n0.499090 0.491293 0.518981 Li\n0.748419 0.756148 0.496709 Li\n0.993852 0.001581 0.496709 Li\n0.745236 0.767773 0.995491 Li\n0.982227 0.004764 0.995491 Li\n0.498765 0.487099 0.993542 Li\n0.262901 0.251235 0.993542 Li\n0.008830 0.741170 0.782231 Fe\n0.975598 0.270031 0.719090 Fe\n0.479969 0.774402 0.719090 Fe\n0.027502 0.722498 0.279687 Fe\n0.525428 0.224572 0.281693 Fe\n0.498886 0.752384 0.223001 Fe\n0.997616 0.251114 0.223001 Fe\n0.276551 0.965101 0.901495 P\n0.784899 0.473449 0.901495 P\n0.637926 0.112074 0.598472 P\n0.131775 0.618225 0.589761 P\n0.367200 0.882731 0.406045 P\n0.867269 0.382800 0.406045 P\n0.217558 0.532442 0.094846 P\n0.717119 0.032881 0.098672 P\n0.210396 0.539604 0.954077 O\n0.711436 0.038564 0.961946 O\n0.935373 0.314017 0.889581 O\n0.435983 0.814627 0.889581 O\n0.251206 0.172794 0.824747 O\n0.071942 0.959776 0.833999 O\n0.577206 0.498794 0.824747 O\n0.790224 0.678058 0.833999 O\n0.210419 0.746592 0.665885 O\n0.003408 0.539581 0.665885 O\n0.504933 0.030100 0.663147 O\n0.719900 0.245067 0.663147 O\n0.282336 0.467664 0.578576 O\n0.800053 0.949947 0.599772 O\n0.496159 0.749566 0.549198 O\n0.000434 0.253841 0.549198 O\n0.503613 0.246387 0.459524 O\n0.987454 0.762546 0.456460 O\n0.706498 0.544527 0.404400 O\n0.205473 0.043502 0.404400 O\n0.997864 0.452040 0.334366 O\n0.505972 0.948496 0.341088 O\n0.297960 0.752136 0.334366 O\n0.801504 0.244028 0.341088 O\n0.718123 0.829311 0.173697 O\n0.216666 0.329435 0.163514 O\n0.420565 0.533334 0.163514 O\n0.920689 0.031877 0.173697 O\n0.058708 0.691292 0.098180 O\n0.556314 0.193686 0.101062 O\n0.800570 0.452724 0.043388 O\n0.297276 0.949430 0.043388 O\n",
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"P",
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],
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"formula_full": "Li8 Fe7 P8 O32",
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"updated_at": "2021-11-28T01:38:27.311000Z",
"spacegroup": 8
},
{
"id": "mp-1246774",
"created_at": "2022-09-04T14:48:08.869166Z",
"structure_string": "Si14 Ni2 N20\n1.0\n6.639189 0.000000 0.127307\n0.000000 6.962072 0.000000\n-2.384547 0.000000 9.397480\nSi Ni N\n14 2 20\ndirect\n0.543392 0.982599 0.822383 Si\n0.543392 0.017401 0.322383 Si\n0.349604 0.018289 0.022457 Si\n0.349604 0.981711 0.522457 Si\n0.116768 0.400707 0.074710 Si\n0.116768 0.599293 0.574710 Si\n0.655414 0.360369 0.987335 Si\n0.655414 0.639631 0.487335 Si\n0.846687 0.618736 0.811594 Si\n0.846687 0.381264 0.311594 Si\n0.299814 0.623439 0.881857 Si\n0.299814 0.376561 0.381857 Si\n0.486061 0.366478 0.685437 Si\n0.486061 0.633522 0.185437 Si\n0.970481 0.883801 0.685908 Ni\n0.970481 0.116199 0.185908 Ni\n0.754353 0.848041 0.807396 N\n0.754353 0.151959 0.307396 N\n0.549490 0.138670 0.966448 N\n0.549490 0.861330 0.466448 N\n0.324473 0.868639 0.869946 N\n0.324473 0.131361 0.369946 N\n0.153226 0.160018 0.051358 N\n0.153226 0.839982 0.551358 N\n0.288556 0.505512 0.723634 N\n0.288556 0.494488 0.223634 N\n0.450537 0.121504 0.671262 N\n0.450537 0.878496 0.171262 N\n0.878643 0.374616 0.128480 N\n0.878643 0.625384 0.628480 N\n0.075627 0.569125 0.937242 N\n0.075627 0.430875 0.437242 N\n0.700713 0.416194 0.821509 N\n0.700713 0.583806 0.321509 N\n0.498461 0.542417 0.020347 N\n0.498461 0.457583 0.520347 N\n",
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],
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"formula_full": "Si14 Ni2 N20",
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"spacegroup": 7
},
{
"id": "mp-13923",
"created_at": "2022-09-04T14:48:10.105800Z",
"structure_string": "Sn4 P4 S12\n1.0\n7.684654 0.000000 0.000000\n0.000000 6.655798 0.000000\n0.000000 6.593322 9.841230\nSn P S\n4 4 12\ndirect\n0.129558 0.745242 0.551074 Sn\n0.870442 0.745242 0.051074 Sn\n0.399722 0.195152 0.043705 Sn\n0.600278 0.195152 0.543705 Sn\n0.649743 0.873935 0.312945 P\n0.350257 0.873935 0.812945 P\n0.865113 0.127433 0.181513 P\n0.134887 0.127433 0.681513 P\n0.426685 0.721663 0.710088 S\n0.573315 0.721663 0.210088 S\n0.546556 0.094513 0.796927 S\n0.453444 0.094513 0.296927 S\n0.248290 0.352790 0.496650 S\n0.751710 0.352790 0.996650 S\n0.046696 0.299529 0.768375 S\n0.953304 0.299529 0.268375 S\n0.948363 0.901574 0.688816 S\n0.051637 0.901574 0.188816 S\n0.259948 0.643068 0.003207 S\n0.740052 0.643068 0.503207 S\n",
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"elements": [
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"formula_full": "Sn4 P4 S12",
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"updated_at": "2021-11-28T01:38:27.318000Z",
"spacegroup": 7
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{
"id": "mp-720382",
"created_at": "2022-09-04T14:48:10.299890Z",
"structure_string": "H48 Cl8 O52\n1.0\n7.230289 0.000000 0.000000\n0.000000 11.174313 0.000000\n0.000000 9.069163 12.813468\nH Cl O\n48 8 52\ndirect\n0.573247 0.079606 0.886821 H\n0.073247 0.920394 0.613179 H\n0.426753 0.920394 0.113179 H\n0.926753 0.079606 0.386821 H\n0.917256 0.052220 0.558901 H\n0.417256 0.947780 0.941099 H\n0.082744 0.947780 0.441099 H\n0.582744 0.052220 0.058901 H\n0.910651 0.926502 0.690778 H\n0.410651 0.073498 0.809222 H\n0.089349 0.073498 0.309222 H\n0.589349 0.926502 0.190778 H\n0.649735 0.867556 0.766883 H\n0.149735 0.132444 0.733117 H\n0.350265 0.132444 0.233117 H\n0.850265 0.867556 0.266883 H\n0.801470 0.914840 0.814501 H\n0.301470 0.085160 0.685499 H\n0.198530 0.085160 0.185499 H\n0.698530 0.914840 0.314501 H\n0.821409 0.670166 0.871123 H\n0.321409 0.329834 0.628877 H\n0.178591 0.329834 0.128877 H\n0.678591 0.670166 0.371123 H\n0.763168 0.508601 0.888598 H\n0.263168 0.491399 0.611402 H\n0.236832 0.491399 0.111402 H\n0.736832 0.508601 0.388598 H\n0.984311 0.576377 0.868950 H\n0.484311 0.423623 0.631050 H\n0.015689 0.423623 0.131050 H\n0.515689 0.576377 0.368950 H\n0.593604 0.493178 0.792539 H\n0.093604 0.506822 0.707461 H\n0.406396 0.506822 0.207461 H\n0.906396 0.493178 0.292539 H\n0.507385 0.428514 0.903485 H\n0.007385 0.571486 0.596515 H\n0.492615 0.571486 0.096515 H\n0.992615 0.428514 0.403485 H\n0.667857 0.247125 0.917959 H\n0.167857 0.752875 0.582041 H\n0.332143 0.752875 0.082041 H\n0.832143 0.247125 0.417959 H\n0.814931 0.118542 0.962464 H\n0.314931 0.881458 0.537536 H\n0.185069 0.881458 0.037536 H\n0.685069 0.118542 0.462464 H\n0.667339 0.723227 0.594792 Cl\n0.167339 0.276773 0.905208 Cl\n0.332661 0.276773 0.405208 Cl\n0.832661 0.723227 0.094792 Cl\n0.806352 0.251138 0.670195 Cl\n0.306352 0.748862 0.829805 Cl\n0.193648 0.748862 0.329805 Cl\n0.693648 0.251138 0.170195 Cl\n0.761470 0.681944 0.533181 O\n0.261470 0.318056 0.966819 O\n0.238530 0.318056 0.466819 O\n0.738530 0.681944 0.033181 O\n0.580498 0.867058 0.524729 O\n0.080498 0.132942 0.975271 O\n0.419502 0.132942 0.475271 O\n0.919502 0.867058 0.024729 O\n0.521890 0.614412 0.659422 O\n0.021890 0.385588 0.840578 O\n0.478110 0.385588 0.340578 O\n0.978110 0.614412 0.159422 O\n0.798718 0.726821 0.663520 O\n0.298718 0.273179 0.836480 O\n0.201282 0.273179 0.336480 O\n0.701282 0.726821 0.163520 O\n0.938487 0.356437 0.593737 O\n0.438487 0.643563 0.906263 O\n0.061513 0.643563 0.406263 O\n0.561513 0.356437 0.093737 O\n0.909338 0.129862 0.762177 O\n0.409338 0.870138 0.737823 O\n0.090662 0.870138 0.237823 O\n0.590662 0.129862 0.262177 O\n0.692267 0.191292 0.627075 O\n0.192267 0.808708 0.872925 O\n0.307733 0.808708 0.372925 O\n0.807733 0.191292 0.127075 O\n0.688134 0.320812 0.706262 O\n0.188134 0.679188 0.793738 O\n0.311866 0.679188 0.293738 O\n0.811866 0.320812 0.206262 O\n0.997713 0.985513 0.625780 O\n0.497713 0.014487 0.874220 O\n0.002287 0.014487 0.374220 O\n0.502287 0.985513 0.125780 O\n0.783278 0.857687 0.785686 O\n0.283278 0.142313 0.714314 O\n0.216722 0.142313 0.214314 O\n0.716722 0.857687 0.285686 O\n0.863202 0.566584 0.902663 O\n0.363202 0.433416 0.597337 O\n0.136798 0.433416 0.097337 O\n0.636798 0.566584 0.402663 O\n0.623945 0.434923 0.868439 O\n0.123945 0.565077 0.631561 O\n0.376055 0.565077 0.131561 O\n0.876055 0.434923 0.368439 O\n0.680746 0.139265 0.953179 O\n0.180746 0.860735 0.546821 O\n0.319254 0.860735 0.046821 O\n0.819254 0.139265 0.453179 O\n",
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{
"id": "mp-1205755",
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"structure_string": "Tb3 Sn3 Ir3\n1.0\n3.744509 -6.485679 0.000000\n3.744509 6.485679 0.000000\n0.000000 0.000000 3.982197\nTb Sn Ir\n3 3 3\ndirect\n0.592578 0.000000 0.000000 Tb\n0.000000 0.592578 0.000000 Tb\n0.407422 0.407422 0.000000 Tb\n0.257247 0.000000 0.500000 Sn\n0.000000 0.257247 0.500000 Sn\n0.742753 0.742753 0.500000 Sn\n0.333333 0.666667 0.500000 Ir\n0.666667 0.333333 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
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{
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"structure_string": "Rb4 Ba4 P4 O16\n1.0\n5.805881 0.000000 0.000000\n0.000000 7.949876 0.000000\n0.000000 0.000000 10.262227\nRb Ba P O\n4 4 4 16\ndirect\n0.750000 0.656297 0.084267 Rb\n0.250000 0.843703 0.584267 Rb\n0.250000 0.343703 0.915733 Rb\n0.750000 0.156297 0.415733 Rb\n0.250000 0.000755 0.191708 Ba\n0.250000 0.500755 0.308292 Ba\n0.750000 0.499245 0.691708 Ba\n0.750000 0.999245 0.808292 Ba\n0.250000 0.270269 0.585824 P\n0.750000 0.729731 0.414176 P\n0.250000 0.770269 0.914176 P\n0.750000 0.229731 0.085824 P\n0.528939 0.791022 0.341523 O\n0.028939 0.208978 0.658477 O\n0.971061 0.291022 0.158477 O\n0.471061 0.708978 0.841523 O\n0.471061 0.208978 0.658477 O\n0.971061 0.791022 0.341523 O\n0.028939 0.708978 0.841523 O\n0.528939 0.291022 0.158477 O\n0.250000 0.466708 0.581482 O\n0.750000 0.533292 0.418518 O\n0.250000 0.966708 0.918518 O\n0.750000 0.033292 0.081482 O\n0.750000 0.300313 0.943141 O\n0.250000 0.699687 0.056859 O\n0.750000 0.800313 0.556859 O\n0.250000 0.199687 0.443141 O\n",
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{
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"structure_string": "Mg1 Zn4 Sn4 O8\n1.0\n3.205745 -0.163028 0.631587\n0.952802 10.245609 0.847285\n-0.267407 0.334902 9.125356\nMg Zn Sn O\n1 4 4 8\ndirect\n0.138025 0.972163 0.103088 Mg\n0.520374 0.031948 0.345715 Zn\n0.323475 0.996092 0.749366 Zn\n0.699888 0.743630 0.951048 Zn\n0.676349 0.213284 0.946534 Zn\n0.867420 0.265779 0.563862 Sn\n0.025129 0.434472 0.162197 Sn\n0.195590 0.500225 0.782673 Sn\n0.998959 0.770881 0.506287 Sn\n0.441155 0.874641 0.592580 O\n0.150172 0.328942 0.958271 O\n0.079926 0.597996 0.990284 O\n0.426018 0.170300 0.472587 O\n0.798678 0.114551 0.757885 O\n0.616575 0.073701 0.111189 O\n0.050276 0.919307 0.323609 O\n0.228122 0.862676 0.937010 O\n",
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{
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