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{
"id": "mp-1206073",
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{
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{
"id": "mp-766510",
"created_at": "2022-09-04T14:40:19.078057Z",
"structure_string": "Li12 Mn1 Fe3 P4 C4 O28\n1.0\n6.513635 0.000000 0.000000\n0.000000 8.535956 0.000000\n0.000000 0.839274 10.005435\nLi Mn Fe P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.907969 0.620358 Li\n0.000000 0.909524 0.120673 Li\n0.225306 0.725567 0.875689 Li\n0.774694 0.725567 0.875689 Li\n0.226136 0.726367 0.376550 Li\n0.773864 0.726367 0.376550 Li\n0.724212 0.274566 0.623556 Li\n0.275788 0.274566 0.623556 Li\n0.724657 0.274012 0.123058 Li\n0.275343 0.274012 0.123058 Li\n0.500000 0.091746 0.879730 Li\n0.500000 0.092966 0.380213 Li\n0.000000 0.340593 0.389019 Mn\n0.500000 0.665344 0.605778 Fe\n0.500000 0.664681 0.106342 Fe\n0.000000 0.333999 0.894483 Fe\n0.000000 0.586998 0.641650 P\n0.000000 0.589662 0.139668 P\n0.500000 0.412208 0.859266 P\n0.500000 0.411179 0.360013 P\n0.500000 0.965659 0.648834 C\n0.500000 0.965884 0.148566 C\n0.000000 0.034732 0.851327 C\n0.000000 0.032736 0.351751 C\n0.500000 0.928738 0.526242 O\n0.000000 0.888665 0.822000 O\n0.500000 0.929111 0.026003 O\n0.500000 0.852762 0.745319 O\n0.000000 0.886586 0.322180 O\n0.500000 0.852821 0.245010 O\n0.186658 0.688546 0.588017 O\n0.813342 0.688546 0.588017 O\n0.187042 0.689853 0.086035 O\n0.812958 0.689853 0.086035 O\n0.500000 0.578264 0.909611 O\n0.000000 0.571957 0.797852 O\n0.500000 0.578226 0.409391 O\n0.000000 0.576398 0.295686 O\n0.500000 0.428213 0.703160 O\n0.000000 0.420916 0.592017 O\n0.500000 0.428096 0.203478 O\n0.000000 0.421714 0.092971 O\n0.313273 0.310830 0.912550 O\n0.686727 0.310830 0.912550 O\n0.684808 0.309399 0.413494 O\n0.315192 0.309399 0.413494 O\n0.000000 0.147059 0.754881 O\n0.500000 0.111019 0.678227 O\n0.000000 0.144203 0.254610 O\n0.000000 0.071307 0.973694 O\n0.500000 0.111223 0.177945 O\n0.000000 0.068564 0.474154 O\n",
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"formula_full": "Li12 Mn1 Fe3 P4 C4 O28",
"formula_reduced": "Li12MnFe3P4(CO7)4",
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{
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"created_at": "2022-09-04T14:40:19.075351Z",
"structure_string": "Si10 O20\n1.0\n5.180941 -6.032676 0.000000\n5.180941 6.032676 0.000000\n0.000000 0.000000 10.142856\nSi O\n10 20\ndirect\n0.821100 0.390779 0.849081 Si\n0.609221 0.178900 0.650919 Si\n0.390779 0.821100 0.650919 Si\n0.178900 0.609221 0.849081 Si\n0.178900 0.609221 0.150919 Si\n0.390779 0.821100 0.349081 Si\n0.609221 0.178900 0.349081 Si\n0.821100 0.390779 0.150919 Si\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n0.670426 0.510211 0.841446 O\n0.489789 0.329574 0.658554 O\n0.510211 0.670426 0.658554 O\n0.329574 0.489789 0.841446 O\n0.329574 0.489789 0.158554 O\n0.510211 0.670426 0.341446 O\n0.489789 0.329574 0.341446 O\n0.670426 0.510211 0.158554 O\n0.838808 0.324624 0.000000 O\n0.675376 0.161192 0.500000 O\n0.324624 0.838808 0.500000 O\n0.161192 0.675376 0.000000 O\n0.771520 0.228480 0.750000 O\n0.228480 0.771520 0.750000 O\n0.228480 0.771520 0.250000 O\n0.771520 0.228480 0.250000 O\n0.000000 0.500000 0.801445 O\n0.500000 0.000000 0.698555 O\n0.000000 0.500000 0.198555 O\n0.500000 0.000000 0.301445 O\n",
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"formula_full": "Si10 O20",
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{
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"created_at": "2022-09-04T14:40:19.075205Z",
"structure_string": "Sn4 Rh4\n1.0\n5.213012 0.000000 0.000000\n0.000000 5.213012 0.000000\n0.000000 0.000000 5.213012\nSn Rh\n4 4\ndirect\n0.839791 0.839791 0.839791 Sn\n0.660209 0.160209 0.339791 Sn\n0.339791 0.660209 0.160209 Sn\n0.160209 0.339791 0.660209 Sn\n0.143523 0.143523 0.143523 Rh\n0.356477 0.856477 0.643523 Rh\n0.643523 0.356477 0.856477 Rh\n0.856477 0.643523 0.356477 Rh\n",
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{
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"structure_string": "K2 Sb2 Mo4 O16\n1.0\n5.104209 0.000000 0.000000\n-2.291113 7.202492 0.000000\n-1.913792 -0.705678 10.238734\nK Sb Mo O\n2 2 4 16\ndirect\n0.596769 0.963726 0.688261 K\n0.403231 0.036274 0.311739 K\n0.948033 0.529994 0.808033 Sb\n0.051967 0.470006 0.191967 Sb\n0.642462 0.755601 0.073408 Mo\n0.787897 0.635422 0.459978 Mo\n0.357538 0.244399 0.926592 Mo\n0.212103 0.364578 0.540022 Mo\n0.134325 0.378914 0.713111 O\n0.897013 0.959376 0.145378 O\n0.864150 0.325781 0.446558 O\n0.505392 0.809817 0.917704 O\n0.494608 0.190183 0.082296 O\n0.196438 0.427487 0.966445 O\n0.359141 0.708051 0.173967 O\n0.734267 0.851729 0.461505 O\n0.265733 0.148271 0.538495 O\n0.371811 0.468846 0.385209 O\n0.803562 0.572513 0.033555 O\n0.102987 0.040624 0.854622 O\n0.640859 0.291949 0.826033 O\n0.865675 0.621086 0.286889 O\n0.135850 0.674219 0.553442 O\n0.628189 0.531154 0.614791 O\n",
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{
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{
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{
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"structure_string": "Li4 H32 C16 O20 F36\n1.0\n5.791455 12.864604 0.000000\n-5.791455 12.864604 0.000000\n0.000000 1.653391 7.917687\nLi H C O F\n4 32 16 20 36\ndirect\n0.182793 0.349364 0.066665 Li\n0.650636 0.817207 0.433335 Li\n0.817207 0.650636 0.933335 Li\n0.349364 0.182793 0.566665 Li\n0.436896 0.176038 0.085950 H\n0.823962 0.563104 0.414050 H\n0.563104 0.823962 0.914050 H\n0.176038 0.436896 0.585950 H\n0.119282 0.373858 0.392935 H\n0.626142 0.880718 0.107065 H\n0.880718 0.626142 0.607065 H\n0.373858 0.119282 0.892935 H\n0.350993 0.147731 0.188473 H\n0.852269 0.649007 0.311527 H\n0.649007 0.852269 0.811527 H\n0.147731 0.350993 0.688473 H\n0.005540 0.377986 0.945958 H\n0.622014 0.994460 0.554042 H\n0.994460 0.622014 0.054042 H\n0.377986 0.005540 0.445958 H\n0.141180 0.240390 0.916855 H\n0.759610 0.858820 0.583145 H\n0.858820 0.759610 0.083145 H\n0.240390 0.141180 0.416855 H\n0.018648 0.380319 0.315309 H\n0.619681 0.981352 0.184691 H\n0.981352 0.619681 0.684691 H\n0.380319 0.018648 0.815309 H\n0.218225 0.507696 0.012165 H\n0.492304 0.781775 0.487835 H\n0.781775 0.492304 0.987835 H\n0.507696 0.218225 0.512165 H\n0.156916 0.525826 0.850305 H\n0.474174 0.843084 0.649695 H\n0.843084 0.474174 0.149695 H\n0.525826 0.156916 0.350305 H\n0.156312 0.641758 0.555550 C\n0.358242 0.843688 0.944450 C\n0.843688 0.358242 0.444450 C\n0.641758 0.156312 0.055550 C\n0.300768 0.573723 0.560410 C\n0.426277 0.699232 0.939590 C\n0.699232 0.426277 0.439590 C\n0.573723 0.300768 0.060410 C\n0.128560 0.661198 0.366409 C\n0.338802 0.871440 0.133591 C\n0.871440 0.338802 0.633591 C\n0.661198 0.128560 0.866409 C\n0.070425 0.777460 0.624403 C\n0.222540 0.929575 0.875597 C\n0.929575 0.222540 0.375597 C\n0.777460 0.070425 0.124403 C\n0.130678 0.569546 0.650735 O\n0.430454 0.869322 0.849265 O\n0.869322 0.430454 0.349265 O\n0.569545 0.130678 0.150735 O\n0.359339 0.187289 0.078651 O\n0.812711 0.640661 0.421349 O\n0.640661 0.812711 0.921349 O\n0.187289 0.359339 0.578651 O\n0.159227 0.502851 0.977260 O\n0.497149 0.840773 0.522740 O\n0.840773 0.497149 0.022740 O\n0.502851 0.159227 0.477260 O\n0.098331 0.329910 0.917712 O\n0.670090 0.901669 0.582288 O\n0.901669 0.670090 0.082288 O\n0.329910 0.098331 0.417712 O\n0.102289 0.360068 0.290600 O\n0.639932 0.897711 0.209400 O\n0.897711 0.639932 0.709400 O\n0.360068 0.102289 0.790600 O\n0.323046 0.571600 0.718104 F\n0.428400 0.676954 0.781896 F\n0.676954 0.428400 0.281896 F\n0.571600 0.323046 0.218104 F\n0.129593 0.749512 0.269034 F\n0.250488 0.870407 0.230966 F\n0.870407 0.250488 0.730966 F\n0.749512 0.129593 0.769034 F\n0.340188 0.628726 0.449964 F\n0.371274 0.659812 0.050036 F\n0.659812 0.371274 0.550036 F\n0.628726 0.340188 0.949964 F\n0.013023 0.696055 0.360395 F\n0.303945 0.986977 0.139605 F\n0.986977 0.303945 0.639605 F\n0.696055 0.013023 0.860395 F\n0.105568 0.846266 0.555223 F\n0.153734 0.894432 0.944777 F\n0.894432 0.153734 0.444777 F\n0.846266 0.105568 0.055223 F\n0.946470 0.847685 0.593795 F\n0.152315 0.053530 0.906205 F\n0.053530 0.152315 0.406205 F\n0.847685 0.946470 0.093795 F\n0.215973 0.549415 0.291229 F\n0.450585 0.784027 0.208771 F\n0.784027 0.450585 0.708771 F\n0.549415 0.215973 0.791229 F\n0.376686 0.450212 0.525372 F\n0.549788 0.623314 0.974628 F\n0.623314 0.549788 0.474628 F\n0.450212 0.376686 0.025372 F\n0.072313 0.765747 0.794501 F\n0.234253 0.927687 0.705499 F\n0.927687 0.234253 0.205499 F\n0.765747 0.072313 0.294501 F\n",
"nsites": 108,
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"elements": [
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],
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"formula_full": "Li4 H32 C16 O20 F36",
"formula_reduced": "LiH8C4O5F9",
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"updated_at": "2021-11-28T01:34:58.737000Z",
"spacegroup": 15
},
{
"id": "mp-555342",
"created_at": "2022-09-04T14:40:19.062699Z",
"structure_string": "Na8 Ca4 Si4 O16\n1.0\n7.541250 0.000000 0.000000\n0.000000 7.541250 0.000000\n0.000000 0.000000 7.541250\nNa Ca Si O\n8 4 4 16\ndirect\n0.992636 0.007364 0.507364 Na\n0.225136 0.774864 0.274864 Na\n0.725136 0.725136 0.725136 Na\n0.007364 0.507364 0.992636 Na\n0.492636 0.492636 0.492636 Na\n0.774864 0.274864 0.225136 Na\n0.507364 0.992636 0.007364 Na\n0.274864 0.225136 0.774864 Na\n0.037786 0.462214 0.537786 Ca\n0.962214 0.962214 0.962214 Ca\n0.462214 0.537786 0.037786 Ca\n0.537786 0.037786 0.462214 Ca\n0.257922 0.257922 0.257922 Si\n0.742078 0.757922 0.242078 Si\n0.242078 0.742078 0.757922 Si\n0.757922 0.242078 0.742078 Si\n0.866453 0.633547 0.366453 O\n0.470940 0.234989 0.209510 O\n0.765011 0.709510 0.029060 O\n0.234989 0.209510 0.470940 O\n0.133547 0.133547 0.133547 O\n0.970940 0.265011 0.790490 O\n0.029060 0.765011 0.709510 O\n0.529060 0.734989 0.290490 O\n0.633547 0.366453 0.866453 O\n0.790490 0.970940 0.265011 O\n0.290490 0.529060 0.734989 O\n0.709510 0.029060 0.765011 O\n0.366453 0.866453 0.633547 O\n0.265011 0.790490 0.970940 O\n0.209510 0.470940 0.234989 O\n0.734989 0.290490 0.529060 O\n",
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{
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"structure_string": "Ti4 C3 N1\n1.0\n9.997627 -1.527072 0.000000\n9.997627 1.527072 0.000000\n9.764377 0.000000 2.634662\nTi C N\n4 3 1\ndirect\n0.874621 0.874621 0.874621 Ti\n0.125379 0.125379 0.125379 Ti\n0.375787 0.375787 0.375787 Ti\n0.624213 0.624213 0.624213 Ti\n0.251038 0.251038 0.251038 C\n0.500000 0.500000 0.500000 C\n0.748962 0.748962 0.748962 C\n0.000000 0.000000 0.000000 N\n",
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}
]
}