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{
"id": "mp-1097326",
"created_at": "2022-09-04T14:40:04.980675Z",
"structure_string": "Mg1 Sc1 In2\n1.0\n-5.750991 6.057484 8.526908\n5.750991 -6.057484 8.526908\n5.750991 6.057484 -8.526908\nMg Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.249159 0.249159 In\n0.000000 0.750841 0.750841 In\n",
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{
"id": "mp-1365814",
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"structure_string": "Li8 Mn4 H32 S8 O48\n1.0\n-9.282660 0.000000 0.000000\n4.629424 10.905135 0.000000\n-0.003638 -6.401671 -10.767179\nLi Mn H S O\n8 4 32 8 48\ndirect\n0.239248 0.555863 0.692106 Li\n0.641802 0.605658 0.667462 Li\n0.366914 0.893873 0.839008 Li\n0.991572 0.942150 0.809416 Li\n0.008428 0.057850 0.190584 Li\n0.633086 0.106127 0.160992 Li\n0.358198 0.394342 0.332538 Li\n0.760752 0.444137 0.307894 Li\n0.500000 0.500000 0.000000 Mn\n0.748268 0.251209 0.748080 Mn\n0.000000 0.000000 0.500000 Mn\n0.251732 0.748791 0.251920 Mn\n0.237226 0.290204 0.961192 H\n0.530003 0.311290 0.946362 H\n0.922320 0.324015 0.955488 H\n0.056686 0.208896 0.824492 H\n0.475447 0.205475 0.826511 H\n0.813467 0.632142 0.995212 H\n0.302548 0.624746 0.990184 H\n0.888480 0.455634 0.833939 H\n0.594426 0.044102 0.663252 H\n0.688556 0.874544 0.508390 H\n0.015379 0.793327 0.458906 H\n0.189491 0.866905 0.504510 H\n0.727986 0.810332 0.443852 H\n0.362544 0.822992 0.456551 H\n0.975920 0.708093 0.324306 H\n0.558822 0.708255 0.326044 H\n0.441178 0.291745 0.673956 H\n0.024080 0.291907 0.675694 H\n0.637456 0.177008 0.543449 H\n0.272014 0.189668 0.556148 H\n0.810509 0.133095 0.495490 H\n0.984621 0.206673 0.541094 H\n0.311444 0.125456 0.491610 H\n0.405574 0.955898 0.336748 H\n0.111520 0.544366 0.166061 H\n0.697452 0.375254 0.009816 H\n0.186533 0.367858 0.004788 H\n0.524553 0.794525 0.173489 H\n0.943314 0.791104 0.175508 H\n0.077680 0.675985 0.044512 H\n0.469997 0.688710 0.053638 H\n0.762774 0.709796 0.038808 H\n0.280630 0.055066 0.981178 S\n0.007909 0.736530 0.795564 S\n0.476330 0.762144 0.703897 S\n0.758640 0.556001 0.478917 S\n0.241360 0.443999 0.521083 S\n0.523670 0.237856 0.296103 S\n0.992091 0.263470 0.204436 S\n0.719370 0.944934 0.018822 S\n0.179768 0.136988 0.964965 O\n0.452648 0.137471 0.982685 O\n0.253919 0.382326 0.953698 O\n0.601240 0.398603 0.948224 O\n0.855140 0.357797 0.871014 O\n0.981472 0.252970 0.749517 O\n0.517927 0.247194 0.751389 O\n0.957673 0.733953 0.898239 O\n0.438435 0.626542 0.804691 O\n0.175465 0.723280 0.840342 O\n0.894056 0.631933 0.749828 O\n0.767403 0.439629 0.597096 O\n0.330843 0.485216 0.626584 O\n0.218494 0.012431 0.874007 O\n0.730081 0.062920 0.901471 O\n0.512647 0.868080 0.747811 O\n0.610917 0.773762 0.658849 O\n0.006059 0.872595 0.696293 O\n0.325075 0.762570 0.602368 O\n0.925321 0.639235 0.463812 O\n0.669494 0.636554 0.482029 O\n0.084661 0.884636 0.452495 O\n0.749417 0.897373 0.447863 O\n0.622013 0.141968 0.626024 O\n0.377987 0.858032 0.373976 O\n0.250583 0.102627 0.552137 O\n0.915339 0.115364 0.547505 O\n0.018528 0.747030 0.250483 O\n0.482073 0.752806 0.248611 O\n0.330506 0.363446 0.517971 O\n0.074679 0.360765 0.536188 O\n0.674925 0.237430 0.397632 O\n0.993941 0.127405 0.303707 O\n0.389083 0.226238 0.341151 O\n0.487353 0.131920 0.252189 O\n0.269919 0.937080 0.098529 O\n0.781506 0.987569 0.125993 O\n0.669157 0.514784 0.373416 O\n0.232597 0.560371 0.402904 O\n0.105944 0.368067 0.250172 O\n0.824535 0.276720 0.159658 O\n0.561565 0.373458 0.195309 O\n0.042327 0.266047 0.101761 O\n0.144860 0.642203 0.128986 O\n0.398760 0.601397 0.051776 O\n0.746081 0.617674 0.046302 O\n0.547352 0.862529 0.017315 O\n0.820232 0.863012 0.035035 O\n",
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"formula_full": "Li8 Mn4 H32 S8 O48",
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{
"id": "mp-556896",
"created_at": "2022-09-04T14:40:05.012607Z",
"structure_string": "Ba8 Ag2 Au2 O12\n1.0\n2.949934 -6.704229 0.000000\n2.949934 6.704229 0.000000\n0.000000 0.000000 11.631725\nBa Ag Au O\n8 2 2 12\ndirect\n0.212834 0.921375 0.750000 Ba\n0.646250 0.353750 0.500000 Ba\n0.787166 0.078625 0.250000 Ba\n0.921375 0.212834 0.750000 Ba\n0.078625 0.787166 0.250000 Ba\n0.353750 0.646250 0.000000 Ba\n0.353750 0.646250 0.500000 Ba\n0.646250 0.353750 0.000000 Ba\n0.403107 0.403107 0.250000 Ag\n0.596893 0.596893 0.750000 Ag\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.239320 0.559348 0.250000 O\n0.154680 0.845320 0.500000 O\n0.559348 0.239320 0.250000 O\n0.729608 0.729608 0.391000 O\n0.154680 0.845320 0.000000 O\n0.845320 0.154680 0.000000 O\n0.440652 0.760680 0.750000 O\n0.760680 0.440652 0.750000 O\n0.729608 0.729608 0.109000 O\n0.845320 0.154680 0.500000 O\n0.270392 0.270392 0.609000 O\n0.270392 0.270392 0.891000 O\n",
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"formula_full": "Ba8 Ag2 Au2 O12",
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{
"id": "mp-776625",
"created_at": "2022-09-04T14:40:05.022933Z",
"structure_string": "Li6 Ti4 P6 O24\n1.0\n8.476411 0.000000 0.000000\n4.235053 7.367359 0.000000\n4.220321 2.430287 7.691206\nLi Ti P O\n6 4 6 24\ndirect\n0.244044 0.569281 0.355026 Li\n0.330492 0.071868 0.862865 Li\n0.076390 0.733067 0.864507 Li\n0.924516 0.268695 0.139500 Li\n0.669859 0.923302 0.138873 Li\n0.732817 0.331547 0.859418 Li\n0.144347 0.143383 0.563078 Ti\n0.346280 0.350826 0.957138 Ti\n0.645111 0.654543 0.043596 Ti\n0.846557 0.856273 0.438712 Ti\n0.044146 0.456655 0.750041 P\n0.542085 0.251499 0.250434 P\n0.250130 0.957398 0.251919 P\n0.747708 0.042966 0.750074 P\n0.460580 0.748363 0.749290 P\n0.957029 0.539908 0.249613 P\n0.205548 0.150233 0.100255 O\n0.151415 0.532428 0.099102 O\n0.017736 0.604956 0.574922 O\n0.143729 0.252573 0.732465 O\n0.126910 0.853498 0.278963 O\n0.541425 0.208104 0.099868 O\n0.385377 0.207465 0.417568 O\n0.164731 0.495834 0.806819 O\n0.504976 0.466894 0.198457 O\n0.200652 0.997358 0.417679 O\n0.747373 0.128738 0.266590 O\n0.465752 0.835148 0.195057 O\n0.531548 0.166496 0.808980 O\n0.256149 0.870801 0.731519 O\n0.799983 0.004189 0.582438 O\n0.496296 0.533403 0.807779 O\n0.831527 0.506416 0.192155 O\n0.613538 0.799303 0.577566 O\n0.472688 0.797629 0.889578 O\n0.870527 0.142843 0.731707 O\n0.857748 0.744563 0.267074 O\n0.996654 0.389771 0.417354 O\n0.847173 0.461784 0.896640 O\n0.790451 0.849001 0.901381 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Li6 Ti4 P6 O24",
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{
"id": "mp-1049203",
"created_at": "2022-09-04T14:40:05.034106Z",
"structure_string": "La2 Mg2 Cr2 Bi2 O12\n1.0\n5.760341 0.000000 0.000000\n0.000000 5.558809 0.000000\n0.000000 5.424050 8.121621\nLa Mg Cr Bi O\n2 2 2 2 12\ndirect\n0.306288 0.765093 0.247615 La\n0.693712 0.765093 0.747615 La\n0.799718 0.230264 0.250642 Mg\n0.200282 0.230264 0.750642 Mg\n0.244200 0.000776 0.499549 Cr\n0.755800 0.000776 0.999549 Cr\n0.245257 0.500076 0.998123 Bi\n0.754743 0.500076 0.498123 Bi\n0.833636 0.344781 0.765720 O\n0.031297 0.112263 0.073843 O\n0.055683 0.786755 0.430643 O\n0.583186 0.227363 0.073790 O\n0.554315 0.916518 0.429830 O\n0.296228 0.616110 0.730245 O\n0.166364 0.344781 0.265720 O\n0.968703 0.112263 0.573843 O\n0.944317 0.786755 0.930643 O\n0.416814 0.227363 0.573790 O\n0.445685 0.916518 0.929830 O\n0.703772 0.616110 0.230245 O\n",
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"formula_full": "La2 Mg2 Cr2 Bi2 O12",
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{
"id": "mp-772596",
"created_at": "2022-09-04T14:40:05.024969Z",
"structure_string": "Li4 Fe2 Ni6 O16\n1.0\n5.724277 0.048134 0.010691\n-2.820453 4.885167 -0.021382\n0.016601 -0.028754 9.292027\nLi Fe Ni O\n4 2 6 16\ndirect\n0.332404 0.665027 0.892728 Li\n0.996457 0.999015 0.998359 Li\n0.003543 0.002558 0.498359 Li\n0.667596 0.332623 0.392728 Li\n0.328906 0.661793 0.493272 Fe\n0.671094 0.332886 0.993272 Fe\n0.170334 0.832034 0.213360 Ni\n0.169636 0.339476 0.214056 Ni\n0.661194 0.829057 0.216452 Ni\n0.338806 0.167864 0.716452 Ni\n0.829666 0.661699 0.713360 Ni\n0.830364 0.169840 0.714056 Ni\n0.156870 0.838294 0.605356 O\n0.035124 0.521191 0.330545 O\n0.314189 0.655628 0.105055 O\n0.021277 0.012493 0.311644 O\n0.978723 0.991216 0.811644 O\n0.151839 0.322028 0.603956 O\n0.478526 0.962590 0.331759 O\n0.472446 0.507266 0.335665 O\n0.320252 0.158987 0.101713 O\n0.679747 0.838734 0.601713 O\n0.521474 0.484063 0.831759 O\n0.527554 0.034820 0.835665 O\n0.685811 0.341438 0.605055 O\n0.843129 0.681423 0.105356 O\n0.964876 0.486067 0.830545 O\n0.848161 0.170189 0.103956 O\n",
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"elements": [
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"formula_full": "Li4 Fe2 Ni6 O16",
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"spacegroup": 36
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{
"id": "mp-1227163",
"created_at": "2022-09-04T14:40:05.036375Z",
"structure_string": "Ca4 Zr4 Ti8 O28\n1.0\n7.285655 0.000000 0.000000\n3.590177 6.373603 0.000000\n1.825357 1.037684 11.283801\nCa Zr Ti O\n4 4 8 28\ndirect\n0.247603 0.499702 0.000476 Ca\n0.500089 0.753630 0.489121 Ca\n0.752397 0.500298 0.999524 Ca\n0.499911 0.246370 0.510879 Ca\n0.003495 0.243022 0.527018 Zr\n0.755667 0.999127 0.974706 Zr\n0.996505 0.756978 0.472982 Zr\n0.244333 0.000873 0.025294 Zr\n0.137095 0.372607 0.752637 Ti\n0.622244 0.884989 0.745804 Ti\n0.862905 0.627393 0.247363 Ti\n0.377756 0.115011 0.254196 Ti\n0.874630 0.127541 0.251695 Ti\n0.125370 0.872459 0.748305 Ti\n0.414736 0.517441 0.246136 Ti\n0.585264 0.482559 0.753864 Ti\n0.198514 0.445129 0.222473 O\n0.579266 0.835693 0.281707 O\n0.801486 0.554871 0.777527 O\n0.420734 0.164307 0.718293 O\n0.337187 0.604087 0.395086 O\n0.391688 0.668956 0.098433 O\n0.662813 0.395913 0.604914 O\n0.608312 0.331044 0.901567 O\n0.120826 0.295690 0.925770 O\n0.708398 0.878092 0.571108 O\n0.879174 0.704310 0.074230 O\n0.291602 0.121908 0.428892 O\n0.060838 0.162850 0.709057 O\n0.836942 0.932281 0.790942 O\n0.939162 0.837150 0.290943 O\n0.163058 0.067719 0.209058 O\n0.252381 0.556271 0.777409 O\n0.432334 0.780289 0.716732 O\n0.747619 0.443729 0.222591 O\n0.567666 0.219711 0.283268 O\n0.540954 0.880555 0.917417 O\n0.117807 0.464131 0.583480 O\n0.459046 0.119445 0.082583 O\n0.882193 0.535869 0.416520 O\n0.878411 0.118677 0.082407 O\n0.879371 0.124549 0.420211 O\n0.121589 0.881323 0.917593 O\n0.120629 0.875451 0.579789 O\n",
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{
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"structure_string": "Mn2 Sn4\n1.0\n-3.311199 3.311199 2.711264\n3.311199 -3.311199 2.711264\n3.311199 3.311199 -2.711264\nMn Sn\n2 4\ndirect\n0.750000 0.750000 0.000000 Mn\n0.250000 0.250000 0.000000 Mn\n0.663738 0.163738 0.827476 Sn\n0.336262 0.836262 0.172524 Sn\n0.836262 0.663738 0.500000 Sn\n0.163738 0.336262 0.500000 Sn\n",
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