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{
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{
"id": "mp-1183211",
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{
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"elements": [
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"formula_full": "Bi24 N20 O104",
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"energy": -867.8544209400001,
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},
{
"id": "mp-34563",
"created_at": "2022-09-04T14:48:21.284229Z",
"structure_string": "Mn4 Cu2 O8\n1.0\n-3.038958 3.064101 4.207451\n3.038958 -3.064101 4.207451\n3.038958 3.064101 -4.207451\nMn Cu O\n4 2 8\ndirect\n0.880245 0.130245 0.750000 Mn\n0.119755 0.869755 0.250000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.255514 0.730253 0.974739 O\n0.251818 0.731918 0.519901 O\n0.255514 0.280776 0.525261 O\n0.287983 0.268082 0.019901 O\n0.712017 0.731918 0.980099 O\n0.748182 0.268082 0.480099 O\n0.744486 0.719224 0.474739 O\n0.744486 0.269747 0.025261 O\n",
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{
"id": "mp-849621",
"created_at": "2022-09-04T14:48:21.289122Z",
"structure_string": "Li6 Mn8 P16 O56\n1.0\n9.762951 -0.065277 0.086118\n0.063659 9.760659 0.001858\n-2.281928 0.010883 11.019717\nLi Mn P O\n6 8 16 56\ndirect\n0.410918 0.594146 0.979002 Li\n0.334949 0.909945 0.458517 Li\n0.393809 0.215937 0.548188 Li\n0.910853 0.905978 0.979032 Li\n0.835232 0.589903 0.458560 Li\n0.893773 0.283700 0.548465 Li\n0.202791 0.924740 0.673622 Mn\n0.253543 0.212976 0.826745 Mn\n0.216434 0.728776 0.164232 Mn\n0.305476 0.432470 0.334987 Mn\n0.702600 0.574703 0.673202 Mn\n0.753330 0.286836 0.826681 Mn\n0.716208 0.771405 0.163918 Mn\n0.805760 0.067986 0.335108 Mn\n0.022677 0.443911 0.755902 P\n0.114537 0.713546 0.882556 P\n0.065067 0.931723 0.244992 P\n0.133781 0.153864 0.423843 P\n0.379794 0.639682 0.572990 P\n0.429447 0.422890 0.760369 P\n0.522685 0.055627 0.755627 P\n0.380062 0.213658 0.121170 P\n0.614661 0.785979 0.882096 P\n0.469935 0.938110 0.241492 P\n0.564965 0.568666 0.245143 P\n0.633696 0.346642 0.424236 P\n0.880068 0.860279 0.573058 P\n0.929656 0.076927 0.760470 P\n0.879913 0.286603 0.121197 P\n0.969866 0.562290 0.241348 P\n0.021167 0.418003 0.625273 O\n0.037396 0.859022 0.568402 O\n0.080393 0.087409 0.735893 O\n0.106063 0.340860 0.847172 O\n0.096338 0.588223 0.787657 O\n0.192586 0.821576 0.820222 O\n0.217771 0.661247 0.998395 O\n0.020840 0.246005 0.091651 O\n0.126496 0.078137 0.294000 O\n0.068495 0.914957 0.112124 O\n0.118022 0.559599 0.206520 O\n0.204978 0.290453 0.410638 O\n0.171057 0.823455 0.310812 O\n0.229037 0.064207 0.519663 O\n0.293409 0.563080 0.464733 O\n0.336377 0.303076 0.696468 O\n0.325395 0.783510 0.587631 O\n0.368082 0.044615 0.784674 O\n0.364271 0.560256 0.694351 O\n0.411547 0.428279 0.889185 O\n0.475382 0.746925 0.905004 O\n0.290923 0.162242 0.001455 O\n0.313838 0.326791 0.185540 O\n0.402706 0.089985 0.215315 O\n0.415933 0.577587 0.273043 O\n0.377581 0.840863 0.151517 O\n0.521018 0.081635 0.625010 O\n0.484686 0.333764 0.443084 O\n0.536970 0.640682 0.568103 O\n0.473797 0.915058 0.372428 O\n0.606127 0.158683 0.846889 O\n0.580207 0.412208 0.735911 O\n0.596576 0.911434 0.787337 O\n0.693139 0.678159 0.819762 O\n0.717745 0.838529 0.998000 O\n0.520984 0.254008 0.091501 O\n0.568371 0.584875 0.112270 O\n0.626706 0.422504 0.294555 O\n0.618017 0.940706 0.206540 O\n0.705193 0.210234 0.411095 O\n0.670881 0.677134 0.310756 O\n0.728913 0.436356 0.520281 O\n0.794038 0.937374 0.464935 O\n0.836372 0.196486 0.696445 O\n0.825325 0.716525 0.587256 O\n0.868116 0.454768 0.784938 O\n0.911755 0.071798 0.889295 O\n0.864677 0.939336 0.694611 O\n0.975393 0.752649 0.905672 O\n0.790650 0.337549 0.001448 O\n0.813645 0.173602 0.185728 O\n0.902776 0.410312 0.215328 O\n0.877335 0.659147 0.151242 O\n0.916039 0.922810 0.272850 O\n0.984789 0.166833 0.442826 O\n0.973736 0.585722 0.372243 O\n",
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"formula_full": "Li6 Mn8 P16 O56",
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"energy": -631.66516601,
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"total_magnetization": 4.7e-05,
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"updated_at": "2021-11-28T01:39:07.786000Z",
"spacegroup": 7
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{
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"structure_string": "Nd2 Ho6 S12\n1.0\n3.975041 0.000000 0.000000\n0.000000 11.071517 0.000000\n0.000000 3.634367 10.688686\nNd Ho S\n2 6 12\ndirect\n0.750000 0.547666 0.806490 Nd\n0.250000 0.452334 0.193510 Nd\n0.750000 0.180597 0.998118 Ho\n0.250000 0.819403 0.001882 Ho\n0.750000 0.937626 0.667498 Ho\n0.250000 0.062374 0.332502 Ho\n0.750000 0.661056 0.414432 Ho\n0.250000 0.338944 0.585568 Ho\n0.750000 0.977530 0.887929 S\n0.250000 0.022470 0.112071 S\n0.750000 0.305983 0.748429 S\n0.250000 0.694017 0.251571 S\n0.750000 0.896582 0.438301 S\n0.250000 0.103418 0.561699 S\n0.750000 0.418856 0.404653 S\n0.250000 0.581144 0.595347 S\n0.750000 0.237750 0.227045 S\n0.250000 0.762250 0.772955 S\n0.750000 0.617159 0.036662 S\n0.250000 0.382841 0.963338 S\n",
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{
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"created_at": "2022-09-04T14:48:21.376702Z",
"structure_string": "Zr12 Ni2 Sn4 H20\n1.0\n4.082373 -7.070878 0.000000\n4.082373 7.070878 0.000000\n0.000000 0.000000 7.367346\nZr Ni Sn H\n12 2 4 20\ndirect\n0.952528 0.368152 0.250000 Zr\n0.368152 0.952528 0.750000 Zr\n0.415624 0.047472 0.250000 Zr\n0.631848 0.584376 0.250000 Zr\n0.741442 0.000000 0.500000 Zr\n0.258558 0.258558 0.000000 Zr\n0.000000 0.741442 0.000000 Zr\n0.000000 0.741442 0.500000 Zr\n0.258558 0.258558 0.500000 Zr\n0.741442 0.000000 0.000000 Zr\n0.047472 0.415624 0.750000 Zr\n0.584376 0.631848 0.750000 Zr\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.333333 0.666667 0.040436 Sn\n0.333333 0.666667 0.459564 Sn\n0.666667 0.333333 0.959564 Sn\n0.666667 0.333333 0.540436 Sn\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.273279 0.000000 0.500000 H\n0.726721 0.726721 0.000000 H\n0.000000 0.273279 0.000000 H\n0.000000 0.273279 0.500000 H\n0.726721 0.726721 0.500000 H\n0.273279 0.000000 0.000000 H\n0.297115 0.401480 0.750000 H\n0.598520 0.895636 0.750000 H\n0.104364 0.702885 0.750000 H\n0.702885 0.104364 0.250000 H\n0.895636 0.598520 0.250000 H\n0.401480 0.297115 0.250000 H\n0.239258 0.121558 0.750000 H\n0.878442 0.117700 0.750000 H\n0.882300 0.760742 0.750000 H\n0.760742 0.882300 0.250000 H\n0.121558 0.239258 0.250000 H\n0.117700 0.878442 0.250000 H\n",
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