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{
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{
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{
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"created_at": "2022-09-04T14:39:44.574731Z",
"structure_string": "Ta22 O55\n1.0\n3.843732 0.000000 0.000000\n0.000000 6.337999 0.000000\n0.000000 0.604677 40.947092\nTa O\n22 55\ndirect\n0.000000 0.827119 0.358646 Ta\n0.000000 0.833066 0.633565 Ta\n0.000000 0.861832 0.082397 Ta\n0.000000 0.929208 0.911703 Ta\n0.000000 0.383206 0.318750 Ta\n0.000000 0.484941 0.691257 Ta\n0.000000 0.512141 0.142869 Ta\n0.000000 0.461199 0.862419 Ta\n0.000000 0.466349 0.416936 Ta\n0.000000 0.380023 0.592159 Ta\n0.000000 0.421975 0.045967 Ta\n0.000000 0.454404 0.953303 Ta\n0.000000 0.993242 0.998774 Ta\n0.000000 0.950633 0.180370 Ta\n0.000000 0.918981 0.819946 Ta\n0.000000 0.388418 0.226485 Ta\n0.000000 0.374907 0.776640 Ta\n0.000000 0.915640 0.272489 Ta\n0.000000 0.931388 0.728881 Ta\n0.000000 0.348803 0.501063 Ta\n0.000000 0.909499 0.454657 Ta\n0.000000 0.881979 0.546168 Ta\n0.000000 0.716984 0.314157 O\n0.000000 0.800553 0.682984 O\n0.000000 0.545167 0.092584 O\n0.000000 0.586026 0.909429 O\n0.000000 0.743169 0.036978 O\n0.000000 0.740089 0.970593 O\n0.000000 0.214482 0.446390 O\n0.000000 0.222826 0.548232 O\n0.500000 0.322237 0.495800 O\n0.000000 0.337764 0.000814 O\n0.000000 0.649895 0.250604 O\n0.000000 0.607578 0.738923 O\n0.500000 0.432040 0.049736 O\n0.500000 0.425767 0.950675 O\n0.500000 0.938857 0.279899 O\n0.500000 0.918922 0.725271 O\n0.000000 0.996472 0.500091 O\n0.500000 0.905938 0.088459 O\n0.500000 0.901915 0.917448 O\n0.000000 0.499576 0.366151 O\n0.000000 0.505987 0.640652 O\n0.500000 0.420495 0.411751 O\n0.500000 0.410643 0.586428 O\n0.000000 0.587474 0.462945 O\n0.000000 0.607921 0.526192 O\n0.000000 0.782014 0.408587 O\n0.000000 0.715668 0.589223 O\n0.000000 0.036511 0.226437 O\n0.000000 0.036092 0.773208 O\n0.000000 0.260476 0.273270 O\n0.000000 0.230148 0.718407 O\n0.000000 0.832474 0.133772 O\n0.000000 0.817961 0.864617 O\n0.500000 0.410608 0.314463 O\n0.500000 0.446144 0.686774 O\n0.000000 0.117356 0.054427 O\n0.000000 0.118633 0.952979 O\n0.500000 0.005490 0.005214 O\n0.500000 0.863387 0.364375 O\n0.500000 0.866425 0.638133 O\n0.500000 0.466067 0.137591 O\n0.500000 0.492423 0.857804 O\n0.500000 0.362474 0.220889 O\n0.500000 0.355207 0.770923 O\n0.000000 0.623851 0.188028 O\n0.000000 0.613829 0.807156 O\n0.500000 0.901996 0.451023 O\n0.500000 0.908449 0.552356 O\n0.500000 0.928744 0.179970 O\n0.500000 0.924018 0.817323 O\n0.000000 0.106000 0.337020 O\n0.000000 0.119176 0.614581 O\n0.000000 0.249682 0.170468 O\n0.000000 0.243189 0.824225 O\n0.000000 0.200175 0.888629 O\n",
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"volume": 997.5354305400583,
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"formula_full": "Ta22 O55",
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},
{
"id": "mp-1017553",
"created_at": "2022-09-04T14:39:44.580441Z",
"structure_string": "Cd1 Co3 N1\n1.0\n3.855044 0.000000 0.000000\n0.000000 3.855044 0.000000\n0.000000 0.000000 3.855044\nCd Co N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 N\n",
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{
"id": "mp-1228747",
"created_at": "2022-09-04T14:39:44.581052Z",
"structure_string": "Ba12 La4 Co8 O30\n1.0\n10.310900 6.014732 0.000000\n-10.310900 6.014732 0.000000\n0.000000 0.155598 7.133073\nBa La Co O\n12 4 8 30\ndirect\n0.000332 0.001278 0.503291 Ba\n0.001278 0.000332 0.003291 Ba\n0.334230 0.665365 0.025734 Ba\n0.665365 0.334230 0.525734 Ba\n0.521683 0.046821 0.173123 Ba\n0.046821 0.521683 0.673123 Ba\n0.819698 0.646471 0.837503 Ba\n0.353552 0.176623 0.839374 Ba\n0.819355 0.176503 0.835866 Ba\n0.176623 0.353552 0.339374 Ba\n0.646471 0.819698 0.337503 Ba\n0.176503 0.819355 0.335866 Ba\n0.951701 0.475453 0.179060 La\n0.523486 0.478014 0.169467 La\n0.475453 0.951701 0.679060 La\n0.478014 0.523486 0.669467 La\n0.662743 0.330147 0.988015 Co\n0.330147 0.662743 0.488015 Co\n0.169226 0.816225 0.838109 Co\n0.175085 0.354093 0.844737 Co\n0.649205 0.823076 0.837551 Co\n0.816225 0.169226 0.338109 Co\n0.823076 0.649205 0.337551 Co\n0.354093 0.175085 0.344737 Co\n0.415640 0.586443 0.338455 O\n0.410241 0.817841 0.347909 O\n0.164727 0.581913 0.321549 O\n0.586443 0.415640 0.838455 O\n0.581913 0.164727 0.821549 O\n0.817841 0.410241 0.847909 O\n0.928367 0.325277 0.457496 O\n0.664926 0.603851 0.470059 O\n0.392084 0.071519 0.487235 O\n0.928361 0.605473 0.461497 O\n0.676096 0.067104 0.486297 O\n0.400719 0.333714 0.472029 O\n0.067104 0.676096 0.986297 O\n0.333714 0.400719 0.972029 O\n0.605473 0.928361 0.961497 O\n0.071519 0.392084 0.987235 O\n0.325277 0.928367 0.957496 O\n0.603851 0.664926 0.970059 O\n0.103056 0.198138 0.738730 O\n0.812359 0.898299 0.743003 O\n0.097881 0.904178 0.735654 O\n0.898299 0.812359 0.243003 O\n0.198138 0.103056 0.238730 O\n0.904178 0.097881 0.235654 O\n0.758280 0.259105 0.161019 O\n0.751146 0.508792 0.166522 O\n0.501995 0.262110 0.160316 O\n0.259105 0.758280 0.661019 O\n0.262110 0.501995 0.660316 O\n0.508792 0.751146 0.666522 O\n",
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{
"id": "mp-1080238",
"created_at": "2022-09-04T14:39:44.582870Z",
"structure_string": "Mn16 H16 O32\n1.0\n6.235466 0.000000 0.000000\n0.029038 10.622695 0.000000\n0.073080 0.029970 10.700918\nMn H O\n16 16 32\ndirect\n0.501915 0.357288 0.857450 Mn\n0.998112 0.355358 0.856940 Mn\n0.505358 0.853931 0.642324 Mn\n0.008506 0.853997 0.642972 Mn\n0.994798 0.143909 0.363316 Mn\n0.498693 0.140851 0.357015 Mn\n0.001675 0.640783 0.141943 Mn\n0.496471 0.640355 0.142326 Mn\n0.745386 0.847527 0.343251 Mn\n0.250830 0.848307 0.342564 Mn\n0.751004 0.340553 0.148631 Mn\n0.250827 0.334554 0.149869 Mn\n0.754979 0.661001 0.849147 Mn\n0.253479 0.653184 0.847902 Mn\n0.753964 0.151107 0.661523 Mn\n0.254769 0.151142 0.656690 Mn\n0.715030 0.343717 0.398252 H\n0.270042 0.346729 0.398698 H\n0.520269 0.837411 0.928344 H\n0.000107 0.857178 0.905544 H\n0.009254 0.160829 0.071759 H\n0.466733 0.155395 0.060680 H\n0.468676 0.930990 0.162732 H\n0.996244 0.939171 0.177979 H\n0.973222 0.088337 0.862734 H\n0.518643 0.066056 0.835622 H\n0.257642 0.665283 0.580014 H\n0.772393 0.647040 0.597481 H\n0.235683 0.419002 0.669515 H\n0.757469 0.403414 0.652751 H\n0.219931 0.598250 0.349502 H\n0.759530 0.591180 0.341112 H\n0.757249 0.666306 0.028075 O\n0.243710 0.658291 0.027724 O\n0.735325 0.028299 0.340540 O\n0.255018 0.027257 0.347256 O\n0.753555 0.970735 0.656711 O\n0.253450 0.967721 0.656739 O\n0.757085 0.340387 0.970102 O\n0.243878 0.336170 0.972191 O\n0.992087 0.175002 0.552774 O\n0.527670 0.176577 0.547318 O\n0.986673 0.546857 0.828903 O\n0.521852 0.547083 0.833078 O\n0.487775 0.446549 0.165172 O\n0.025331 0.450003 0.180090 O\n0.494876 0.822847 0.449178 O\n0.021060 0.826476 0.460570 O\n0.471264 0.847929 0.201344 O\n0.997730 0.856094 0.216430 O\n0.004513 0.203017 0.152173 O\n0.475242 0.194639 0.142522 O\n0.987626 0.154832 0.801183 O\n0.512971 0.147956 0.794655 O\n0.518383 0.795377 0.847852 O\n0.000820 0.798549 0.836367 O\n0.753219 0.338012 0.716044 O\n0.244658 0.345367 0.723259 O\n0.759403 0.714410 0.658166 O\n0.261383 0.711213 0.658661 O\n0.754258 0.658312 0.279467 O\n0.242459 0.663276 0.286897 O\n0.736150 0.282615 0.332050 O\n0.261790 0.277791 0.339737 O\n",
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"formula_full": "Mn16 H16 O32",
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"spacegroup": 1
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{
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"structure_string": "Li16 Sn4 Se16\n1.0\n6.713876 0.000000 0.000000\n0.000000 8.383536 0.000000\n0.000000 0.000000 15.090763\nLi Sn Se\n16 4 16\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.821500 0.494643 0.676913 Li\n0.678500 0.005357 0.176913 Li\n0.178500 0.994643 0.323087 Li\n0.321500 0.505357 0.823087 Li\n0.178500 0.505357 0.323087 Li\n0.321500 0.994643 0.823087 Li\n0.821500 0.005357 0.676913 Li\n0.678500 0.494643 0.176913 Li\n0.386126 0.750000 0.588165 Li\n0.113874 0.750000 0.088165 Li\n0.613874 0.250000 0.411835 Li\n0.886126 0.250000 0.911835 Li\n0.642793 0.750000 0.407375 Sn\n0.857207 0.750000 0.907375 Sn\n0.357207 0.250000 0.592625 Sn\n0.142793 0.250000 0.092625 Sn\n0.775588 0.750000 0.568434 Se\n0.724412 0.750000 0.068434 Se\n0.224412 0.250000 0.431566 Se\n0.275588 0.250000 0.931566 Se\n0.785596 0.495919 0.339587 Se\n0.714404 0.004081 0.839587 Se\n0.214404 0.995919 0.660413 Se\n0.285596 0.504081 0.160413 Se\n0.214404 0.504081 0.660413 Se\n0.285596 0.995919 0.160413 Se\n0.785596 0.004081 0.339587 Se\n0.714404 0.495919 0.839587 Se\n0.263250 0.750000 0.417859 Se\n0.236750 0.750000 0.917859 Se\n0.736750 0.250000 0.582141 Se\n0.763250 0.250000 0.082141 Se\n",
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{
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