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{
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{
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{
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"structure_string": "K2 B2 H8\n1.0\n4.727714 0.000000 0.000000\n0.000000 4.727714 0.000000\n0.000000 0.000000 6.673245\nK B H\n2 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.788173 0.000000 0.392816 H\n0.000000 0.211827 0.607184 H\n0.211827 0.000000 0.392816 H\n0.288173 0.500000 0.107184 H\n0.500000 0.288173 0.892816 H\n0.500000 0.711827 0.892816 H\n0.711827 0.500000 0.107184 H\n0.000000 0.788173 0.607184 H\n",
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{
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"structure_string": "Sr2 Cu2 H8 C8 O16\n1.0\n8.821845 0.000000 0.000000\n0.000000 7.056073 0.000000\n0.000000 1.362031 7.426407\nSr Cu H C O\n2 2 8 8 16\ndirect\n0.137643 0.250000 0.000000 Sr\n0.862357 0.750000 0.000000 Sr\n0.402457 0.250000 0.500000 Cu\n0.597543 0.750000 0.500000 Cu\n0.161661 0.571381 0.428032 H\n0.161661 0.928619 0.571968 H\n0.838339 0.428619 0.571968 H\n0.838339 0.071381 0.428032 H\n0.559499 0.240927 0.163553 H\n0.559499 0.259073 0.836447 H\n0.440501 0.759073 0.836447 H\n0.440501 0.740927 0.163553 H\n0.151689 0.486197 0.318883 C\n0.151689 0.013803 0.681117 C\n0.848311 0.513803 0.681117 C\n0.848311 0.986197 0.318883 C\n0.600333 0.375572 0.203522 C\n0.600333 0.124428 0.796478 C\n0.399667 0.624428 0.796478 C\n0.399667 0.875572 0.203522 C\n0.243817 0.345720 0.319665 O\n0.243817 0.154280 0.680335 O\n0.756183 0.654280 0.680335 O\n0.756183 0.845720 0.319665 O\n0.051549 0.528001 0.199349 O\n0.051549 0.971999 0.800651 O\n0.948451 0.471999 0.800651 O\n0.948451 0.028001 0.199349 O\n0.315019 0.984998 0.098863 O\n0.315019 0.515002 0.901137 O\n0.684981 0.015002 0.901137 O\n0.684981 0.484998 0.098863 O\n0.557101 0.408698 0.357750 O\n0.557101 0.091302 0.642250 O\n0.442899 0.591302 0.642250 O\n0.442899 0.908698 0.357750 O\n",
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{
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"structure_string": "Sr1 Nd1 Zr1 Ti1 O6\n1.0\n0.000000 -4.059357 -4.059357\n4.059357 0.000000 -4.059357\n4.059357 -4.059357 0.000000\nSr Nd Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.756833 0.243167 0.243167 O\n0.243167 0.756833 0.756833 O\n0.756833 0.243167 0.756833 O\n0.243167 0.756833 0.243167 O\n0.756833 0.756833 0.243167 O\n0.243167 0.243167 0.756833 O\n",
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{
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"structure_string": "Li4 Fe4 P4 O16\n1.0\n0.000512 4.942560 0.000018\n0.000336 0.000338 7.464203\n9.247991 0.001071 0.000470\nLi Fe P O\n4 4 4 16\ndirect\n0.917871 0.130225 0.017537 Li\n0.082053 0.630253 0.482445 Li\n0.582056 0.869614 0.517507 Li\n0.417935 0.369644 0.982544 Li\n0.171768 0.231449 0.625015 Fe\n0.828734 0.731272 0.874687 Fe\n0.329020 0.768664 0.125296 Fe\n0.671122 0.268712 0.374560 Fe\n0.865474 0.502156 0.162395 P\n0.134326 0.002144 0.337623 P\n0.634444 0.497866 0.662423 P\n0.365708 0.997838 0.837636 P\n0.711502 0.668460 0.097357 O\n0.288274 0.168480 0.402608 O\n0.788379 0.331528 0.597415 O\n0.211604 0.831506 0.902636 O\n0.724282 0.322929 0.122206 O\n0.275682 0.823011 0.377836 O\n0.775682 0.677041 0.622162 O\n0.224379 0.176952 0.877834 O\n0.157394 0.514210 0.102481 O\n0.842373 0.014171 0.397688 O\n0.342614 0.485840 0.602417 O\n0.657769 0.985830 0.897618 O\n0.142174 0.009003 0.169646 O\n0.857477 0.508980 0.330338 O\n0.357833 0.991116 0.669687 O\n0.642073 0.491104 0.830402 O\n",
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{
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{
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"structure_string": "Li4 Fe4 P4 H8 O20\n1.0\n5.109765 0.000000 0.000000\n0.000000 8.228037 0.000000\n0.000000 0.000000 11.044214\nLi Fe P H O\n4 4 4 8 20\ndirect\n0.195709 0.122724 0.115822 Li\n0.695709 0.622724 0.384178 Li\n0.195709 0.377276 0.615822 Li\n0.695709 0.877276 0.884178 Li\n0.699194 0.312879 0.196549 Fe\n0.199194 0.812879 0.303451 Fe\n0.699194 0.187121 0.696549 Fe\n0.199194 0.687121 0.803451 Fe\n0.689236 0.912828 0.167388 P\n0.189236 0.412828 0.332612 P\n0.689236 0.587172 0.667388 P\n0.189236 0.087172 0.832612 P\n0.375738 0.569296 0.007312 H\n0.143081 0.686404 0.038198 H\n0.643081 0.186404 0.461802 H\n0.875738 0.069296 0.492688 H\n0.375738 0.930704 0.507312 H\n0.143081 0.813596 0.538198 H\n0.643081 0.313596 0.961802 H\n0.875738 0.430704 0.992688 H\n0.693570 0.404379 0.014590 O\n0.626032 0.824569 0.049935 O\n0.560535 0.085611 0.170298 O\n0.992951 0.935970 0.183993 O\n0.090224 0.316334 0.218539 O\n0.590224 0.816334 0.281461 O\n0.492951 0.435970 0.316007 O\n0.060535 0.585611 0.329702 O\n0.126032 0.324569 0.450065 O\n0.193570 0.904379 0.485410 O\n0.693570 0.095621 0.514590 O\n0.626032 0.675431 0.549935 O\n0.560535 0.414389 0.670298 O\n0.992951 0.564030 0.683993 O\n0.090224 0.183666 0.718539 O\n0.590224 0.683666 0.781461 O\n0.492951 0.064030 0.816007 O\n0.060535 0.914389 0.829702 O\n0.126032 0.175431 0.950065 O\n0.193570 0.595621 0.985410 O\n",
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{
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"formula_full": "Fe2 H24 C8 N36 O8",
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"updated_at": "2021-11-28T01:34:38.039000Z",
"spacegroup": 14
},
{
"id": "mp-680207",
"created_at": "2022-09-04T14:39:49.910823Z",
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}
]
}