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{
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{
"id": "mp-774262",
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"structure_string": "Li6 Cr3 Cu1 P6 O24\n1.0\n8.509078 0.000000 0.000000\n4.061056 7.511505 0.000000\n4.068682 2.446506 7.110353\nLi Cr Cu P O\n6 3 1 6 24\ndirect\n0.020684 0.999225 0.989068 Li\n0.756347 0.144641 0.349407 Li\n0.475422 0.509266 0.499575 Li\n0.215294 0.850103 0.661600 Li\n0.665761 0.210634 0.849036 Li\n0.847885 0.668002 0.209936 Li\n0.139769 0.143825 0.137987 Cr\n0.360029 0.361875 0.355897 Cr\n0.642328 0.645620 0.645224 Cr\n0.853638 0.850894 0.848681 Cu\n0.049549 0.750358 0.452301 P\n0.450733 0.050908 0.751159 P\n0.750493 0.456517 0.046612 P\n0.253723 0.538005 0.959245 P\n0.540732 0.964073 0.253651 P\n0.956346 0.252879 0.534439 P\n0.118859 0.316586 0.481003 O\n0.330411 0.494308 0.108623 O\n0.041409 0.924807 0.270344 O\n0.523267 0.112662 0.319041 O\n0.243855 0.597886 0.416751 O\n0.035393 0.797205 0.613994 O\n0.261773 0.062338 0.913567 O\n0.436352 0.240785 0.586091 O\n0.598110 0.422837 0.245441 O\n0.200338 0.377987 0.987739 O\n0.082936 0.726547 0.960881 O\n0.366296 0.004521 0.215261 O\n0.614087 0.029846 0.801553 O\n0.908471 0.261171 0.063962 O\n0.803810 0.615344 0.027736 O\n0.400934 0.580144 0.756948 O\n0.577462 0.762592 0.402981 O\n0.725557 0.958797 0.078815 O\n0.965034 0.206487 0.377019 O\n0.758470 0.402947 0.582484 O\n0.490886 0.887045 0.694156 O\n0.961383 0.079406 0.720993 O\n0.692094 0.497196 0.884977 O\n0.884079 0.692731 0.496821 O\n",
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},
{
"id": "mp-1198099",
"created_at": "2022-09-04T14:47:46.586332Z",
"structure_string": "Co2 H36 C4 N32 O32\n1.0\n12.292783 0.000000 0.000000\n0.000000 7.072816 0.000000\n-4.959187 0.000000 12.510531\nCo H C N O\n2 36 4 32 32\ndirect\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.345484 0.485193 0.592497 H\n0.654516 0.985193 0.907503 H\n0.654516 0.514807 0.407503 H\n0.345484 0.014807 0.092497 H\n0.159598 0.670665 0.205090 H\n0.840402 0.170665 0.294910 H\n0.840402 0.329335 0.794910 H\n0.159598 0.829335 0.705090 H\n0.345198 0.278400 0.533392 H\n0.654802 0.778400 0.966608 H\n0.654802 0.721600 0.466608 H\n0.345198 0.221600 0.033392 H\n0.582137 0.152376 0.472066 H\n0.417863 0.652376 0.027934 H\n0.417863 0.847624 0.527934 H\n0.582137 0.347624 0.972066 H\n0.483960 0.214722 0.361640 H\n0.516040 0.714722 0.138360 H\n0.516040 0.785278 0.638360 H\n0.483960 0.285278 0.861640 H\n0.166011 0.437827 0.439194 H\n0.833989 0.937827 0.060806 H\n0.833989 0.562173 0.560806 H\n0.166011 0.062173 0.939194 H\n0.076036 0.603920 0.281525 H\n0.923964 0.103920 0.218475 H\n0.923964 0.396080 0.718475 H\n0.076036 0.896080 0.781525 H\n0.224292 0.943955 0.477747 H\n0.775708 0.443955 0.022253 H\n0.775708 0.056045 0.522253 H\n0.224292 0.556045 0.977747 H\n0.275841 0.033708 0.397882 H\n0.724159 0.533708 0.102118 H\n0.724159 0.966292 0.602118 H\n0.275841 0.466292 0.897882 H\n0.253219 0.560292 0.350122 C\n0.746781 0.060292 0.149878 C\n0.746781 0.439708 0.649878 C\n0.253219 0.939708 0.850122 C\n0.346211 0.422870 0.523827 N\n0.653789 0.922870 0.976173 N\n0.653789 0.577130 0.476173 N\n0.346211 0.077130 0.023827 N\n0.245486 0.477216 0.437614 N\n0.754514 0.977216 0.062386 N\n0.754514 0.522784 0.562386 N\n0.245486 0.022784 0.937614 N\n0.154727 0.609205 0.271859 N\n0.845273 0.109205 0.228141 N\n0.845273 0.390795 0.728141 N\n0.154727 0.890795 0.771859 N\n0.364649 0.585489 0.353140 N\n0.635351 0.085489 0.146860 N\n0.635351 0.414511 0.646860 N\n0.364649 0.914511 0.853140 N\n0.384193 0.673252 0.271833 N\n0.615807 0.173252 0.228167 N\n0.615807 0.326748 0.728167 N\n0.384193 0.826748 0.771833 N\n0.139433 0.186607 0.098204 N\n0.860567 0.686607 0.401796 N\n0.860567 0.813393 0.901796 N\n0.139433 0.313393 0.598204 N\n0.161142 0.148722 0.203076 N\n0.838858 0.648722 0.296924 N\n0.838858 0.851278 0.796924 N\n0.161142 0.351278 0.703076 N\n0.025569 0.232605 0.036327 N\n0.974431 0.732605 0.463673 N\n0.974431 0.767395 0.963673 N\n0.025569 0.267395 0.536327 N\n0.489582 0.700862 0.285591 O\n0.510418 0.200862 0.214409 O\n0.510418 0.299138 0.714409 O\n0.489582 0.799138 0.785591 O\n0.302815 0.722836 0.187269 O\n0.697185 0.222836 0.312731 O\n0.697185 0.277164 0.812731 O\n0.302815 0.777164 0.687269 O\n0.508906 0.228335 0.439452 O\n0.491094 0.728335 0.060548 O\n0.491094 0.771665 0.560548 O\n0.508906 0.271665 0.939452 O\n0.004218 0.209076 0.938333 O\n0.995782 0.709076 0.561667 O\n0.995782 0.790924 0.061667 O\n0.004218 0.290924 0.438333 O\n0.954497 0.301702 0.072041 O\n0.045503 0.801702 0.427959 O\n0.045503 0.698298 0.927959 O\n0.954497 0.198298 0.572041 O\n0.085073 0.110598 0.240945 O\n0.914927 0.610598 0.259055 O\n0.914927 0.889402 0.759055 O\n0.085073 0.389402 0.740945 O\n0.268739 0.141927 0.260027 O\n0.731261 0.641927 0.239973 O\n0.731261 0.858073 0.739973 O\n0.268739 0.358073 0.760027 O\n0.296457 0.990655 0.472212 O\n0.703543 0.490655 0.027788 O\n0.703543 0.009345 0.527788 O\n0.296457 0.509345 0.972212 O\n",
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"volume_molar": 6.179642563014776,
"formula_full": "Co2 H36 C4 N32 O32",
"formula_reduced": "CoH18C2(NO)16",
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"energy": -654.84532623,
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"updated_at": "2021-11-28T01:38:22.369000Z",
"spacegroup": 14
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{
"id": "mp-865727",
"created_at": "2022-09-04T14:47:46.591581Z",
"structure_string": "Y4 Re4 B16\n1.0\n3.619293 0.000000 0.000000\n0.000000 5.988232 0.000000\n0.000000 0.000000 11.584967\nY Re B\n4 4 16\ndirect\n0.000000 0.126484 0.150209 Y\n0.000000 0.873516 0.849791 Y\n0.000000 0.626484 0.349791 Y\n0.000000 0.373516 0.650209 Y\n0.000000 0.133517 0.412505 Re\n0.000000 0.866483 0.587495 Re\n0.000000 0.633517 0.087495 Re\n0.000000 0.366483 0.912505 Re\n0.500000 0.476833 0.192155 B\n0.500000 0.523167 0.807845 B\n0.500000 0.976833 0.307845 B\n0.500000 0.023167 0.692155 B\n0.500000 0.287253 0.315195 B\n0.500000 0.712747 0.684805 B\n0.500000 0.787253 0.184805 B\n0.500000 0.212747 0.815195 B\n0.500000 0.363495 0.468580 B\n0.500000 0.636505 0.531420 B\n0.500000 0.863495 0.031420 B\n0.500000 0.136505 0.968580 B\n0.500000 0.386235 0.047245 B\n0.500000 0.613765 0.952755 B\n0.500000 0.886235 0.452755 B\n0.500000 0.113765 0.547245 B\n",
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{
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"created_at": "2022-09-04T14:48:04.066420Z",
"structure_string": "Sn2 O4\n1.0\n4.832336 0.000000 0.000000\n0.000000 4.832336 0.000000\n0.000000 0.000000 3.243221\nSn O\n2 4\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.806552 0.193448 0.500000 O\n0.193448 0.806552 0.500000 O\n0.306552 0.306552 0.000000 O\n0.693448 0.693448 0.000000 O\n",
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{
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"structure_string": "P6 Ru2 O18\n1.0\n5.126292 0.000000 0.000000\n-0.290874 7.056263 0.000000\n-0.441027 -1.591993 10.342876\nP Ru O\n6 2 18\ndirect\n0.525759 0.959106 0.181232 P\n0.241075 0.314332 0.228715 P\n0.498776 0.329429 0.639101 P\n0.474241 0.040894 0.818768 P\n0.758925 0.685668 0.771285 P\n0.501224 0.670571 0.360899 P\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.488114 0.181275 0.232737 O\n0.095693 0.270331 0.098275 O\n0.330445 0.880447 0.073368 O\n0.207691 0.354803 0.622161 O\n0.663826 0.333678 0.524201 O\n0.187340 0.066870 0.842481 O\n0.616638 0.478026 0.763598 O\n0.904307 0.729669 0.901725 O\n0.534288 0.129366 0.689425 O\n0.792309 0.645197 0.377839 O\n0.915015 0.699265 0.653562 O\n0.812660 0.933130 0.157519 O\n0.511886 0.818725 0.767263 O\n0.669555 0.119553 0.926632 O\n0.465712 0.870634 0.310575 O\n0.084985 0.300735 0.346438 O\n0.383362 0.521974 0.236402 O\n0.336174 0.666322 0.475799 O\n",
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{
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{
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"structure_string": "Mg2 Bi4\n1.0\n1.716153 -8.963451 0.000000\n1.716153 8.963451 0.000000\n0.000000 0.000000 5.679300\nMg Bi\n2 4\ndirect\n0.217599 0.782401 0.250000 Mg\n0.782401 0.217599 0.750000 Mg\n0.558844 0.441156 0.250000 Bi\n0.865829 0.134171 0.250000 Bi\n0.134171 0.865829 0.750000 Bi\n0.441156 0.558844 0.750000 Bi\n",
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{
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"structure_string": "Sb4 O10\n1.0\n2.445442 6.431354 0.000000\n-2.445442 6.431354 0.000000\n0.000000 1.293795 5.365785\nSb O\n4 10\ndirect\n0.377048 0.899235 0.217470 Sb\n0.100765 0.622952 0.282530 Sb\n0.622952 0.100765 0.782530 Sb\n0.899235 0.377048 0.717470 Sb\n0.419714 0.580286 0.250000 O\n0.580286 0.419714 0.750000 O\n0.810641 0.985621 0.450377 O\n0.014379 0.189359 0.049623 O\n0.217998 0.376988 0.623138 O\n0.623012 0.782002 0.876862 O\n0.782002 0.623012 0.376862 O\n0.376988 0.217998 0.123138 O\n0.985621 0.810641 0.950377 O\n0.189359 0.014379 0.549623 O\n",
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{
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{
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