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{
"id": "mp-1045720",
"created_at": "2022-09-04T14:48:31.101108Z",
"structure_string": "Zn2 Cr4 O12\n1.0\n5.007226 0.000000 0.000000\n0.000000 5.366690 0.000000\n0.000000 0.000000 7.193667\nZn Cr O\n2 4 12\ndirect\n0.531733 0.289935 0.500000 Zn\n0.031733 0.710065 0.000000 Zn\n0.528408 0.761975 0.738204 Cr\n0.028408 0.238025 0.761796 Cr\n0.028408 0.238025 0.238204 Cr\n0.528408 0.761975 0.261796 Cr\n0.700447 0.041789 0.313437 O\n0.200447 0.958211 0.186563 O\n0.748476 0.512082 0.684180 O\n0.248476 0.487918 0.815820 O\n0.248476 0.487918 0.184180 O\n0.748476 0.512082 0.315820 O\n0.200447 0.958211 0.813437 O\n0.700447 0.041789 0.686563 O\n0.145826 0.238983 0.500000 O\n0.645826 0.761017 0.000000 O\n0.378695 0.745626 0.500000 O\n0.878695 0.254374 0.000000 O\n",
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{
"id": "mp-1028424",
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"structure_string": "Cs1 Mg14 Co1\n1.0\n6.556356 0.127867 0.000000\n-3.167442 5.486170 0.000000\n0.000000 0.000000 10.663181\nCs Mg Co\n1 14 1\ndirect\n0.093704 0.796851 0.125000 Cs\n0.164271 0.332135 0.625000 Mg\n0.178714 0.839357 0.625000 Mg\n0.600835 0.302212 0.125000 Mg\n0.665197 0.325459 0.625000 Mg\n0.600835 0.798622 0.125000 Mg\n0.665197 0.839737 0.625000 Mg\n0.349640 0.184818 0.380872 Mg\n0.349640 0.184818 0.869128 Mg\n0.349640 0.664823 0.380872 Mg\n0.349640 0.664823 0.869128 Mg\n0.867748 0.183874 0.343664 Mg\n0.867748 0.183874 0.906336 Mg\n0.830469 0.665235 0.406202 Mg\n0.830469 0.665235 0.843798 Mg\n0.236257 0.368128 0.125000 Co\n",
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"spacegroup": 38
},
{
"id": "mp-1210263",
"created_at": "2022-09-04T14:48:29.872237Z",
"structure_string": "Np8 Mo16 O64\n1.0\n9.693930 0.000000 0.000000\n0.000000 10.309950 0.000000\n0.000000 0.000000 14.477927\nNp Mo O\n8 16 64\ndirect\n0.277144 0.966175 0.610391 Np\n0.722856 0.033825 0.389609 Np\n0.222856 0.466175 0.389609 Np\n0.722856 0.533825 0.110391 Np\n0.777144 0.533825 0.610391 Np\n0.277144 0.466175 0.889609 Np\n0.777144 0.033825 0.889609 Np\n0.222856 0.966175 0.110391 Np\n0.001271 0.724160 0.940577 Mo\n0.998729 0.275840 0.059423 Mo\n0.498729 0.224160 0.059423 Mo\n0.998729 0.775840 0.440577 Mo\n0.501271 0.775840 0.940577 Mo\n0.001271 0.224160 0.559423 Mo\n0.501271 0.275840 0.559423 Mo\n0.498729 0.724160 0.440577 Mo\n0.181369 0.604918 0.651785 Mo\n0.818631 0.395082 0.348215 Mo\n0.318631 0.104918 0.348215 Mo\n0.818631 0.895082 0.151785 Mo\n0.681369 0.895082 0.651785 Mo\n0.181369 0.104918 0.848215 Mo\n0.681369 0.395082 0.848215 Mo\n0.318631 0.604918 0.151785 Mo\n0.387567 0.673165 0.875315 O\n0.612433 0.326835 0.124685 O\n0.112433 0.173165 0.124685 O\n0.612433 0.826835 0.375315 O\n0.887567 0.826835 0.875315 O\n0.387567 0.173165 0.624685 O\n0.887567 0.326835 0.624685 O\n0.112433 0.673165 0.375315 O\n0.237621 0.570652 0.536767 O\n0.762379 0.429348 0.463233 O\n0.262379 0.070652 0.463233 O\n0.762379 0.929348 0.036767 O\n0.737621 0.929348 0.536767 O\n0.237621 0.070652 0.963233 O\n0.737621 0.429348 0.963233 O\n0.262379 0.570652 0.036767 O\n0.119472 0.831385 0.997310 O\n0.880528 0.168615 0.002690 O\n0.380528 0.331385 0.002690 O\n0.880528 0.668615 0.497310 O\n0.619472 0.668615 0.997310 O\n0.119472 0.331385 0.502690 O\n0.619472 0.168615 0.502690 O\n0.380528 0.831385 0.497310 O\n0.229583 0.769232 0.677543 O\n0.770417 0.230768 0.322457 O\n0.270417 0.269232 0.322457 O\n0.770417 0.730768 0.177543 O\n0.729583 0.730768 0.677543 O\n0.229583 0.269232 0.822457 O\n0.729583 0.230768 0.822457 O\n0.270417 0.769232 0.177543 O\n0.094360 0.608187 0.868716 O\n0.905640 0.391813 0.131284 O\n0.405640 0.108187 0.131284 O\n0.905640 0.891813 0.368716 O\n0.594360 0.891813 0.868716 O\n0.094360 0.108187 0.631284 O\n0.594360 0.391813 0.631284 O\n0.405640 0.608187 0.368716 O\n0.264642 0.997562 0.768038 O\n0.735358 0.002438 0.231962 O\n0.235358 0.497562 0.231962 O\n0.735358 0.502438 0.268038 O\n0.764642 0.502438 0.768038 O\n0.264642 0.497562 0.731962 O\n0.764642 0.002438 0.731962 O\n0.235358 0.997562 0.268038 O\n0.093580 0.862273 0.526780 O\n0.906420 0.137727 0.473220 O\n0.406420 0.362273 0.473220 O\n0.906420 0.637727 0.026780 O\n0.593580 0.637727 0.526780 O\n0.093580 0.362273 0.973220 O\n0.593580 0.137727 0.973220 O\n0.406420 0.862273 0.026780 O\n0.998077 0.582027 0.655918 O\n0.001923 0.417973 0.344082 O\n0.501923 0.082027 0.344082 O\n0.001923 0.917973 0.155918 O\n0.498077 0.917973 0.655918 O\n0.998077 0.082027 0.844082 O\n0.498077 0.417973 0.844082 O\n0.501923 0.582027 0.155918 O\n",
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"elements": [
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"density": 5.112509651044943,
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"volume": 1446.9809748043199,
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"formula_full": "Np8 Mo16 O64",
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{
"id": "mp-1176610",
"created_at": "2022-09-04T14:48:30.564469Z",
"structure_string": "Li4 Ni4 P12 O36\n1.0\n8.437970 0.000000 0.000000\n0.000000 8.537694 0.000000\n0.000000 0.000000 8.851871\nLi Ni P O\n4 4 12 36\ndirect\n0.870265 0.642932 0.337784 Li\n0.629735 0.357068 0.837784 Li\n0.129735 0.142932 0.162216 Li\n0.370265 0.857068 0.662216 Li\n0.653776 0.631222 0.612215 Ni\n0.846224 0.368778 0.112215 Ni\n0.346224 0.131222 0.887785 Ni\n0.153776 0.868778 0.387785 Ni\n0.798520 0.689367 0.931452 P\n0.027588 0.684236 0.677091 P\n0.186642 0.522896 0.191336 P\n0.313358 0.477104 0.691336 P\n0.472412 0.315764 0.177091 P\n0.701480 0.310633 0.431452 P\n0.201480 0.189367 0.568548 P\n0.972412 0.184236 0.822909 P\n0.813358 0.022896 0.308664 P\n0.686642 0.977104 0.808664 P\n0.527588 0.815764 0.322909 P\n0.298520 0.810633 0.068548 P\n0.959702 0.733379 0.839997 O\n0.630559 0.686590 0.384839 O\n0.840039 0.624928 0.083935 O\n0.225641 0.636700 0.048301 O\n0.894106 0.628765 0.578449 O\n0.413552 0.611897 0.638691 O\n0.128646 0.621673 0.321095 O\n0.690351 0.591391 0.834206 O\n0.139274 0.541742 0.730738 O\n0.360726 0.458258 0.230738 O\n0.809649 0.408609 0.334206 O\n0.371354 0.378327 0.821095 O\n0.086448 0.388103 0.138691 O\n0.605894 0.371235 0.078449 O\n0.274359 0.363300 0.548301 O\n0.659961 0.375072 0.583935 O\n0.869441 0.313410 0.884839 O\n0.540298 0.266621 0.339997 O\n0.040298 0.233379 0.660003 O\n0.369441 0.186590 0.115161 O\n0.159961 0.124928 0.416065 O\n0.774359 0.136700 0.451699 O\n0.105894 0.128765 0.921551 O\n0.586448 0.111897 0.861309 O\n0.871354 0.121673 0.178905 O\n0.309649 0.091391 0.665794 O\n0.860726 0.041742 0.769262 O\n0.639274 0.958258 0.269262 O\n0.190351 0.908609 0.165794 O\n0.628646 0.878327 0.678905 O\n0.913552 0.888103 0.361309 O\n0.394106 0.871235 0.421551 O\n0.725641 0.863300 0.951699 O\n0.340039 0.875072 0.916065 O\n0.130559 0.813410 0.615161 O\n0.459702 0.766621 0.160003 O\n",
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"spacegroup": 19
},
{
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"created_at": "2022-09-04T14:48:30.389560Z",
"structure_string": "Ca1 Mg30 V1 O32\n1.0\n8.568696 0.000000 0.000000\n0.000000 8.568696 0.000000\n0.000000 0.000000 8.588537\nCa Mg V O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.253211 0.252455 Mg\n0.000000 0.253211 0.747545 Mg\n0.000000 0.746789 0.252455 Mg\n0.000000 0.746789 0.747545 Mg\n0.500000 0.250221 0.250336 Mg\n0.500000 0.250221 0.749664 Mg\n0.500000 0.749779 0.250336 Mg\n0.500000 0.749779 0.749664 Mg\n0.253211 0.000000 0.252455 Mg\n0.253211 0.000000 0.747545 Mg\n0.250221 0.500000 0.250336 Mg\n0.250221 0.500000 0.749664 Mg\n0.746789 0.000000 0.252455 Mg\n0.746789 0.000000 0.747545 Mg\n0.749779 0.500000 0.250336 Mg\n0.749779 0.500000 0.749664 Mg\n0.252940 0.252940 0.000000 Mg\n0.250463 0.250463 0.500000 Mg\n0.252940 0.747060 0.000000 Mg\n0.250463 0.749537 0.500000 Mg\n0.747060 0.252940 0.000000 Mg\n0.749537 0.250463 0.500000 Mg\n0.747060 0.747060 0.000000 Mg\n0.749537 0.749537 0.500000 Mg\n0.000000 0.000000 0.500000 V\n0.262866 0.000000 0.000000 O\n0.255733 0.000000 0.500000 O\n0.252276 0.500000 0.000000 O\n0.250723 0.500000 0.500000 O\n0.737134 0.000000 0.000000 O\n0.744267 0.000000 0.500000 O\n0.747724 0.500000 0.000000 O\n0.749277 0.500000 0.500000 O\n0.249689 0.249689 0.250098 O\n0.249689 0.249689 0.749902 O\n0.249689 0.750311 0.250098 O\n0.249689 0.750311 0.749902 O\n0.750311 0.249689 0.250098 O\n0.750311 0.249689 0.749902 O\n0.750311 0.750311 0.250098 O\n0.750311 0.750311 0.749902 O\n0.000000 0.000000 0.256187 O\n0.000000 0.000000 0.743813 O\n0.000000 0.500000 0.252110 O\n0.000000 0.500000 0.747890 O\n0.500000 0.000000 0.252110 O\n0.500000 0.000000 0.747890 O\n0.500000 0.500000 0.250542 O\n0.500000 0.500000 0.749458 O\n0.000000 0.262866 0.000000 O\n0.000000 0.255733 0.500000 O\n0.000000 0.737134 0.000000 O\n0.000000 0.744267 0.500000 O\n0.500000 0.252276 0.000000 O\n0.500000 0.250723 0.500000 O\n0.500000 0.747724 0.000000 O\n0.500000 0.749277 0.500000 O\n",
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"formula_full": "Ca1 Mg30 V1 O32",
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{
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"structure_string": "Li6 Mg2 P2 C2 O14\n1.0\n6.424889 0.000000 0.000000\n0.000000 5.067500 0.000000\n0.000000 0.312810 8.309200\nLi Mg P C O\n6 2 2 2 14\ndirect\n0.497869 0.017436 0.000389 Li\n0.183165 0.456231 0.172141 Li\n0.443083 0.446821 0.497916 Li\n0.943083 0.553179 0.502084 Li\n0.683165 0.543769 0.827859 Li\n0.997869 0.982564 0.999611 Li\n0.748696 0.023307 0.280509 Mg\n0.248696 0.976693 0.719491 Mg\n0.247267 0.963508 0.332834 P\n0.747267 0.036492 0.667166 P\n0.740424 0.502835 0.139480 C\n0.240424 0.497165 0.860520 C\n0.730456 0.324470 0.031026 O\n0.769198 0.748756 0.094826 O\n0.062171 0.089485 0.234169 O\n0.443495 0.009566 0.229680 O\n0.726622 0.434660 0.291531 O\n0.207607 0.663734 0.367226 O\n0.274548 0.109148 0.492829 O\n0.774548 0.890852 0.507171 O\n0.707607 0.336266 0.632774 O\n0.226622 0.565340 0.708469 O\n0.943495 0.990434 0.770320 O\n0.562171 0.910515 0.765831 O\n0.269198 0.251244 0.905174 O\n0.230456 0.675530 0.968974 O\n",
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},
{
"id": "mp-1181826",
"created_at": "2022-09-04T14:48:29.342230Z",
"structure_string": "Co1 Cu1 P2 O7\n1.0\n4.516475 -0.034118 -0.834631\n-1.196022 5.111007 -1.104089\n-0.043777 0.032651 5.392588\nCo Cu P O\n1 1 2 7\ndirect\n0.718811 0.103250 0.284299 Co\n0.725901 0.481375 0.908760 Cu\n0.315988 0.581388 0.400966 P\n0.130718 0.993760 0.808270 P\n0.221629 0.761881 0.628674 O\n0.505055 0.415723 0.536396 O\n0.942471 0.857344 0.973735 O\n0.956863 0.143201 0.647989 O\n0.492555 0.742902 0.253412 O\n0.009168 0.413462 0.219211 O\n0.440942 0.172812 0.974490 O\n",
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{
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{
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"structure_string": "Mn4 Ni2 O8\n1.0\n-2.890256 2.943425 4.643528\n2.890256 -2.943425 4.643528\n2.890256 2.943425 -4.643528\nMn Ni O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.880392 0.130392 0.750000 Ni\n0.119608 0.869608 0.250000 Ni\n0.725205 0.748766 0.976439 O\n0.749056 0.270363 0.021307 O\n0.727673 0.251234 0.476439 O\n0.749056 0.727749 0.478693 O\n0.272327 0.748766 0.523561 O\n0.250944 0.272251 0.521307 O\n0.274795 0.251234 0.023561 O\n0.250944 0.729637 0.978693 O\n",
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"formula_full": "Mn4 Ni2 O8",
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{
"id": "mp-1174622",
"created_at": "2022-09-04T14:48:29.130829Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.072906 0.000000 0.000000\n0.804305 6.470171 0.000000\n0.930517 0.662586 6.533288\nLi Mn Co O\n7 2 3 12\ndirect\n0.745313 0.585607 0.418611 Li\n0.739545 0.248883 0.740469 Li\n0.260455 0.751117 0.259531 Li\n0.254687 0.414393 0.581389 Li\n0.745817 0.915536 0.083895 Li\n0.254183 0.084464 0.916105 Li\n0.500000 0.000000 0.500000 Li\n0.001169 0.835045 0.661797 Mn\n0.998831 0.164955 0.338203 Mn\n0.000000 0.500000 0.000000 Co\n0.497775 0.674848 0.824795 Co\n0.502225 0.325152 0.175205 Co\n0.878978 0.557740 0.713263 O\n0.881970 0.206927 0.065649 O\n0.350646 0.714429 0.557025 O\n0.366981 0.391821 0.883554 O\n0.894431 0.886556 0.388916 O\n0.358894 0.063692 0.211921 O\n0.633019 0.608179 0.116446 O\n0.649354 0.285571 0.442975 O\n0.118030 0.793073 0.934351 O\n0.121022 0.442260 0.286737 O\n0.641106 0.936308 0.788079 O\n0.105569 0.113444 0.611084 O\n",
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{
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"structure_string": "Cu2 H12 S2 O14\n1.0\n6.897100 2.776161 0.000000\n-6.897100 2.776161 0.000000\n0.000000 1.206305 7.126964\nCu H S O\n2 12 2 14\ndirect\n0.870320 0.148282 0.998833 Cu\n0.148282 0.870320 0.498833 Cu\n0.979494 0.166263 0.640480 H\n0.166263 0.979494 0.140480 H\n0.153680 0.464548 0.676372 H\n0.464548 0.153680 0.176372 H\n0.431203 0.260165 0.704309 H\n0.260165 0.431203 0.204309 H\n0.432099 0.352323 0.499137 H\n0.352323 0.432099 0.999137 H\n0.389411 0.764877 0.985191 H\n0.764877 0.389411 0.485191 H\n0.522261 0.916500 0.776285 H\n0.916500 0.522261 0.276285 H\n0.835608 0.622112 0.922957 S\n0.622112 0.835608 0.422957 S\n0.003907 0.673152 0.754129 O\n0.673152 0.003907 0.254129 O\n0.456651 0.816024 0.571118 O\n0.816024 0.456651 0.071118 O\n0.569146 0.472451 0.876784 O\n0.472451 0.569146 0.376784 O\n0.871369 0.957726 0.486435 O\n0.957726 0.871369 0.986435 O\n0.056997 0.285945 0.738137 O\n0.285945 0.056997 0.238137 O\n0.423060 0.224477 0.572506 O\n0.224477 0.423060 0.072506 O\n0.529814 0.943335 0.911626 O\n0.943335 0.529814 0.411626 O\n",
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{
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]
}