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{
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{
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"structure_string": "Ti10 Fe14 O36\n1.0\n8.489881 0.004731 7.154421\n3.633977 4.924112 19.461705\n0.098801 0.008311 15.013468\nTi Fe O\n10 14 36\ndirect\n0.439905 0.297761 0.126221 Ti\n0.419025 0.027154 0.869500 Ti\n0.264070 0.611028 0.156956 Ti\n0.934827 0.276990 0.154959 Ti\n0.235930 0.388972 0.843044 Ti\n0.080975 0.972846 0.130500 Ti\n0.891566 0.072470 0.825927 Ti\n0.060095 0.702239 0.873779 Ti\n0.608434 0.927530 0.174073 Ti\n0.565173 0.723010 0.845041 Ti\n0.063015 0.217826 0.355505 Fe\n0.276913 0.090009 0.679558 Fe\n0.578170 0.207681 0.356582 Fe\n0.101457 0.439248 0.658100 Fe\n0.398543 0.560752 0.341900 Fe\n0.770910 0.128454 0.631217 Fe\n0.775714 0.612732 0.160751 Fe\n0.223087 0.909991 0.320442 Fe\n0.592588 0.453760 0.648652 Fe\n0.907412 0.546240 0.351348 Fe\n0.724286 0.387268 0.839249 Fe\n0.436985 0.782174 0.644495 Fe\n0.729090 0.871546 0.368783 Fe\n0.921830 0.792319 0.643418 Fe\n0.332469 0.113829 0.047354 O\n0.202698 0.159528 0.231256 O\n0.165510 0.440991 0.056446 O\n0.042923 0.470713 0.259371 O\n0.456685 0.033739 0.566179 O\n0.818603 0.106183 0.063443 O\n0.134372 0.167780 0.772296 O\n0.703251 0.161556 0.227367 O\n0.993735 0.238264 0.929358 O\n0.382426 0.293492 0.440721 O\n0.289700 0.361284 0.569821 O\n0.662425 0.443608 0.053884 O\n0.533525 0.495123 0.231510 O\n0.210300 0.638716 0.430179 O\n0.958167 0.031097 0.565099 O\n0.631917 0.172701 0.769881 O\n0.117574 0.706508 0.559279 O\n0.506265 0.761736 0.070642 O\n0.504497 0.222105 0.949179 O\n0.879991 0.305972 0.428002 O\n0.365628 0.832220 0.227705 O\n0.043315 0.966261 0.433821 O\n0.779399 0.379561 0.556694 O\n0.457077 0.529287 0.740629 O\n0.334490 0.559009 0.943554 O\n0.720601 0.620439 0.443306 O\n0.620009 0.694028 0.571998 O\n0.995503 0.777895 0.050821 O\n0.297302 0.840472 0.768744 O\n0.868083 0.827299 0.230119 O\n0.167531 0.886171 0.952646 O\n0.541833 0.968903 0.434901 O\n0.966475 0.504877 0.768490 O\n0.837575 0.556392 0.946116 O\n0.796749 0.838444 0.772633 O\n0.681397 0.893817 0.936557 O\n",
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{
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"created_at": "2022-09-04T14:47:21.373816Z",
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{
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"created_at": "2022-09-04T14:39:46.669845Z",
"structure_string": "Sr16 Nd4 Fe10 Mo10 O60\n1.0\n5.660719 0.000000 0.000000\n0.000000 5.697132 0.000000\n0.000000 5.599307 39.963588\nSr Nd Fe Mo O\n16 4 10 10 60\ndirect\n0.482414 0.760333 0.748955 Sr\n0.487519 0.561259 0.950997 Sr\n0.484642 0.351839 0.149296 Sr\n0.492505 0.952517 0.548878 Sr\n0.007495 0.952517 0.048878 Sr\n0.017586 0.760333 0.248955 Sr\n0.012481 0.561259 0.450997 Sr\n0.015358 0.351839 0.649296 Sr\n0.992505 0.047483 0.951122 Sr\n0.982414 0.239667 0.751045 Sr\n0.984642 0.648161 0.350704 Sr\n0.987519 0.438741 0.549003 Sr\n0.515358 0.648161 0.850704 Sr\n0.507495 0.047483 0.451122 Sr\n0.517586 0.239667 0.251045 Sr\n0.512481 0.438741 0.049003 Sr\n0.479004 0.160572 0.351363 Nd\n0.020996 0.160572 0.851363 Nd\n0.979004 0.839428 0.148637 Nd\n0.520996 0.839428 0.648637 Nd\n0.500657 0.395257 0.599634 Fe\n0.999966 0.799447 0.700089 Fe\n0.000657 0.604743 0.900366 Fe\n0.000034 0.200553 0.299911 Fe\n0.999343 0.395257 0.099634 Fe\n0.000000 0.000000 0.500000 Fe\n0.499966 0.200553 0.799911 Fe\n0.499343 0.604743 0.400366 Fe\n0.500034 0.799447 0.200089 Fe\n0.500000 0.000000 0.000000 Fe\n0.498430 0.299531 0.699555 Mo\n0.501991 0.101805 0.899973 Mo\n0.498009 0.898195 0.100027 Mo\n0.501570 0.700469 0.300445 Mo\n0.500000 0.500000 0.500000 Mo\n0.998430 0.700469 0.800445 Mo\n0.000000 0.500000 0.000000 Mo\n0.001570 0.299531 0.199555 Mo\n0.001991 0.898195 0.600027 Mo\n0.998009 0.101805 0.399973 Mo\n0.505569 0.318474 0.749907 O\n0.501976 0.124108 0.946280 O\n0.510688 0.909328 0.148726 O\n0.507086 0.741717 0.349952 O\n0.506544 0.509871 0.550706 O\n0.234375 0.864054 0.905467 O\n0.247179 0.452890 0.309543 O\n0.227156 0.658746 0.109360 O\n0.232550 0.069246 0.706315 O\n0.250290 0.268631 0.505996 O\n0.235073 0.978242 0.794183 O\n0.246165 0.368339 0.390370 O\n0.239052 0.768021 0.993873 O\n0.228003 0.593655 0.190137 O\n0.236473 0.166305 0.593694 O\n0.271997 0.593655 0.690137 O\n0.253835 0.368339 0.890370 O\n0.263527 0.166305 0.093694 O\n0.264927 0.978242 0.294183 O\n0.260948 0.768021 0.493873 O\n0.249710 0.268631 0.005996 O\n0.252821 0.452890 0.809543 O\n0.265625 0.864054 0.405467 O\n0.267450 0.069246 0.206315 O\n0.272844 0.658746 0.609360 O\n0.989312 0.909328 0.648726 O\n0.994431 0.318474 0.249907 O\n0.992914 0.741717 0.849952 O\n0.993456 0.509871 0.050706 O\n0.998024 0.124108 0.446280 O\n0.007086 0.258283 0.150048 O\n0.006544 0.490129 0.949294 O\n0.010688 0.090672 0.351274 O\n0.001976 0.875892 0.553720 O\n0.005569 0.681526 0.750093 O\n0.732550 0.930754 0.793685 O\n0.727156 0.341254 0.390640 O\n0.747179 0.547110 0.190457 O\n0.750290 0.731369 0.994004 O\n0.734375 0.135946 0.594533 O\n0.736473 0.833695 0.906306 O\n0.728003 0.406345 0.309863 O\n0.746165 0.631661 0.109630 O\n0.735073 0.021758 0.705817 O\n0.739052 0.231979 0.506127 O\n0.771997 0.406345 0.809863 O\n0.763527 0.833695 0.406306 O\n0.764927 0.021758 0.205817 O\n0.760948 0.231979 0.006127 O\n0.753835 0.631661 0.609630 O\n0.772844 0.341254 0.890640 O\n0.752821 0.547110 0.690457 O\n0.767450 0.930754 0.293685 O\n0.765625 0.135946 0.094533 O\n0.749710 0.731369 0.494004 O\n0.498024 0.875892 0.053720 O\n0.489312 0.090672 0.851274 O\n0.493456 0.490129 0.449294 O\n0.494431 0.681526 0.250093 O\n0.492914 0.258283 0.650048 O\n",
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{
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"structure_string": "Li12 Mn12 P12 O48\n1.0\n5.673758 0.000000 0.000000\n0.000000 8.418797 0.000000\n0.000000 0.000000 19.845239\nLi Mn P O\n12 12 12 48\ndirect\n0.691143 0.274623 0.988957 Li\n0.307781 0.757648 0.174581 Li\n0.730550 0.241423 0.154115 Li\n0.230550 0.741423 0.345885 Li\n0.807781 0.257648 0.325419 Li\n0.191143 0.774623 0.511043 Li\n0.691143 0.225377 0.488957 Li\n0.307781 0.742352 0.674581 Li\n0.730550 0.258577 0.654115 Li\n0.230550 0.758577 0.845885 Li\n0.807781 0.242352 0.825419 Li\n0.191143 0.725377 0.011043 Li\n0.754062 0.964436 0.066209 Mn\n0.207868 0.431326 0.101588 Mn\n0.745816 0.560602 0.233013 Mn\n0.245816 0.060602 0.266987 Mn\n0.707868 0.931326 0.398412 Mn\n0.254062 0.464436 0.433791 Mn\n0.754062 0.535564 0.566209 Mn\n0.207868 0.068674 0.601588 Mn\n0.745816 0.939398 0.733013 Mn\n0.245816 0.439398 0.766987 Mn\n0.707868 0.568674 0.898412 Mn\n0.254062 0.035564 0.933791 Mn\n0.707963 0.584774 0.070490 P\n0.261237 0.084205 0.095064 P\n0.733262 0.933337 0.241752 P\n0.233262 0.433337 0.258248 P\n0.761237 0.584205 0.404936 P\n0.207963 0.084774 0.429510 P\n0.707963 0.915226 0.570490 P\n0.261237 0.415795 0.595064 P\n0.733262 0.566663 0.741752 P\n0.233262 0.066663 0.758248 P\n0.761237 0.915795 0.904936 P\n0.207963 0.415226 0.929510 P\n0.676149 0.505643 0.001173 O\n0.329440 0.964677 0.036769 O\n0.449400 0.220490 0.093555 O\n0.018885 0.164295 0.080677 O\n0.874108 0.732373 0.065146 O\n0.462730 0.632800 0.100277 O\n0.824668 0.464146 0.120471 O\n0.261274 0.990538 0.161546 O\n0.754966 0.998647 0.170173 O\n0.119051 0.565619 0.213073 O\n0.473334 0.389858 0.225242 O\n0.070153 0.282359 0.255781 O\n0.570153 0.782359 0.244219 O\n0.973334 0.889858 0.274758 O\n0.619051 0.065619 0.286927 O\n0.254966 0.498647 0.329827 O\n0.761274 0.490538 0.338454 O\n0.324668 0.964146 0.379529 O\n0.962730 0.132800 0.399723 O\n0.374108 0.232373 0.434854 O\n0.518885 0.664295 0.419323 O\n0.949400 0.720490 0.406445 O\n0.829440 0.464677 0.463231 O\n0.176149 0.005643 0.498827 O\n0.676149 0.994357 0.501173 O\n0.329440 0.535323 0.536769 O\n0.449400 0.279510 0.593555 O\n0.018885 0.335705 0.580677 O\n0.874108 0.767627 0.565146 O\n0.462730 0.867200 0.600277 O\n0.824668 0.035854 0.620471 O\n0.261274 0.509462 0.661546 O\n0.754966 0.501353 0.670173 O\n0.119051 0.934381 0.713073 O\n0.473334 0.110142 0.725242 O\n0.070153 0.217641 0.755781 O\n0.570153 0.717641 0.744219 O\n0.973334 0.610142 0.774758 O\n0.619051 0.434381 0.786927 O\n0.254966 0.001353 0.829827 O\n0.761274 0.009462 0.838454 O\n0.324668 0.535854 0.879529 O\n0.962730 0.367200 0.899723 O\n0.374108 0.267627 0.934854 O\n0.518885 0.835705 0.919323 O\n0.949400 0.779510 0.906445 O\n0.829440 0.035323 0.963231 O\n0.176149 0.494357 0.998827 O\n",
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"formula_full": "Li12 Mn12 P12 O48",
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"updated_at": "2021-11-28T01:34:24.221000Z",
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},
{
"id": "mp-772953",
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{
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"structure_string": "Na4 Fe12 P8 H32 O56\n1.0\n7.419177 0.000000 0.000000\n0.000000 7.419177 0.000000\n0.000000 0.000000 19.643488\nNa Fe P H O\n4 12 8 32 56\ndirect\n0.873981 0.126019 0.250000 Na\n0.126019 0.873981 0.750000 Na\n0.626019 0.626019 0.000000 Na\n0.373981 0.373981 0.500000 Na\n0.892376 0.393177 0.492351 Fe\n0.107624 0.606823 0.992351 Fe\n0.893177 0.607624 0.242351 Fe\n0.106823 0.392376 0.742351 Fe\n0.606823 0.107624 0.007649 Fe\n0.393177 0.892376 0.507649 Fe\n0.607624 0.893177 0.757649 Fe\n0.392376 0.106823 0.257649 Fe\n0.602680 0.397320 0.750000 Fe\n0.397320 0.602680 0.250000 Fe\n0.897320 0.897320 0.500000 Fe\n0.102680 0.102680 0.000000 Fe\n0.640205 0.132614 0.399445 P\n0.359795 0.867386 0.899445 P\n0.632614 0.859795 0.149445 P\n0.367386 0.140205 0.649445 P\n0.867386 0.359795 0.100555 P\n0.132614 0.640205 0.600555 P\n0.859795 0.632614 0.850555 P\n0.140205 0.367386 0.350555 P\n0.570095 0.149973 0.836975 H\n0.429905 0.850027 0.336975 H\n0.649973 0.929905 0.586975 H\n0.350027 0.070095 0.086975 H\n0.850027 0.429905 0.663025 H\n0.149973 0.570095 0.163025 H\n0.929905 0.649973 0.413025 H\n0.070095 0.350027 0.913025 H\n0.616993 0.401206 0.599402 H\n0.383007 0.598794 0.099402 H\n0.901206 0.883007 0.349402 H\n0.098794 0.116993 0.849402 H\n0.598794 0.383007 0.900598 H\n0.401206 0.616993 0.400598 H\n0.883007 0.901206 0.650598 H\n0.116993 0.098794 0.150598 H\n0.653741 0.601863 0.568115 H\n0.346259 0.398137 0.068115 H\n0.101863 0.846259 0.318115 H\n0.898137 0.153741 0.818115 H\n0.398137 0.346259 0.931885 H\n0.601863 0.653741 0.431885 H\n0.846259 0.101863 0.681885 H\n0.153741 0.898137 0.181885 H\n0.015224 0.163298 0.568410 H\n0.984776 0.836702 0.068410 H\n0.663298 0.484776 0.318410 H\n0.336702 0.515224 0.818410 H\n0.836702 0.984776 0.931590 H\n0.163298 0.015224 0.431590 H\n0.484776 0.663298 0.681590 H\n0.515224 0.336702 0.181590 H\n0.466609 0.071265 0.436261 O\n0.533391 0.928735 0.936261 O\n0.571265 0.033391 0.186261 O\n0.428735 0.966609 0.686261 O\n0.928735 0.533391 0.063739 O\n0.071265 0.466609 0.563739 O\n0.033391 0.571265 0.813739 O\n0.966609 0.428735 0.313739 O\n0.795360 0.992550 0.409949 O\n0.204640 0.007450 0.909949 O\n0.492550 0.704640 0.159949 O\n0.507450 0.295360 0.659949 O\n0.007450 0.204640 0.090051 O\n0.992550 0.795360 0.590051 O\n0.704640 0.492550 0.840051 O\n0.295360 0.507450 0.340051 O\n0.696644 0.317666 0.429288 O\n0.303356 0.682334 0.929288 O\n0.817666 0.803356 0.179288 O\n0.182334 0.196644 0.679288 O\n0.682334 0.303356 0.070712 O\n0.317666 0.696644 0.570712 O\n0.803356 0.817666 0.820712 O\n0.196644 0.182334 0.320712 O\n0.605540 0.151456 0.321875 O\n0.394460 0.848544 0.821875 O\n0.651456 0.894460 0.071875 O\n0.348544 0.105540 0.571875 O\n0.848544 0.394460 0.178125 O\n0.151456 0.605540 0.678125 O\n0.894460 0.651456 0.928125 O\n0.105540 0.348544 0.428125 O\n0.634554 0.148661 0.793307 O\n0.365446 0.851339 0.293307 O\n0.648661 0.865446 0.543307 O\n0.351339 0.134554 0.043307 O\n0.851339 0.365446 0.706693 O\n0.148661 0.634554 0.206693 O\n0.865446 0.648661 0.456693 O\n0.134554 0.351339 0.956693 O\n0.672719 0.471218 0.560709 O\n0.327281 0.528782 0.060709 O\n0.971218 0.827281 0.310709 O\n0.028782 0.172719 0.810709 O\n0.528782 0.327281 0.939291 O\n0.471218 0.672719 0.439291 O\n0.827281 0.971218 0.689291 O\n0.172719 0.028782 0.189291 O\n0.912262 0.151468 0.537459 O\n0.087738 0.848532 0.037459 O\n0.651468 0.587738 0.287459 O\n0.348532 0.412262 0.787459 O\n0.848532 0.087738 0.962541 O\n0.151468 0.912262 0.462541 O\n0.587738 0.651468 0.712541 O\n0.412262 0.348532 0.212541 O\n",
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}
]
}