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{
"id": "mp-1181826",
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"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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"formula_full": "Li6 Mg2 P2 C2 O14",
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"updated_at": "2021-11-28T01:39:50.932000Z",
"spacegroup": 4
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{
"id": "mp-1038125",
"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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],
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"formula_full": "Ca1 Mg30 V1 O32",
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"spacegroup": 123
},
{
"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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{
"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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{
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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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{
"id": "mp-1045720",
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"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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{
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