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{
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{
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{
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{
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"structure_string": "Li4 Ti1 Ni5 P6 O24\n1.0\n8.389478 0.000000 0.000000\n3.897292 7.514147 0.000000\n3.896920 2.411321 7.138898\nLi Ti Ni P O\n4 1 5 6 24\ndirect\n0.252017 0.642311 0.850849 Li\n0.713274 0.349025 0.151028 Li\n0.354972 0.147360 0.710637 Li\n0.145942 0.710731 0.354262 Li\n0.147855 0.149693 0.152248 Ti\n0.990846 0.000385 0.999118 Ni\n0.641352 0.645223 0.642509 Ni\n0.507042 0.498027 0.497157 Ni\n0.857161 0.855534 0.853550 Ni\n0.355413 0.352569 0.352897 Ni\n0.946269 0.556426 0.257101 P\n0.559034 0.249209 0.950634 P\n0.252237 0.951390 0.555925 P\n0.753827 0.043309 0.454284 P\n0.445056 0.751457 0.041454 P\n0.052819 0.456812 0.754707 P\n0.529576 0.316838 0.103384 O\n0.321168 0.104001 0.524902 O\n0.099201 0.522948 0.329417 O\n0.941349 0.742696 0.091924 O\n0.009723 0.386072 0.186353 O\n0.752259 0.556751 0.406510 O\n0.751549 0.095630 0.926375 O\n0.539936 0.410238 0.764453 O\n0.834882 0.002835 0.599081 O\n0.397823 0.752298 0.562621 O\n0.903532 0.082540 0.244795 O\n0.604520 0.822681 0.982504 O\n0.388474 0.175737 0.015783 O\n0.101694 0.925632 0.752985 O\n0.596494 0.244108 0.437531 O\n0.181874 0.011062 0.387931 O\n0.437919 0.593570 0.239752 O\n0.239760 0.905336 0.085994 O\n0.249673 0.432804 0.593338 O\n0.041029 0.599462 0.824298 O\n0.081208 0.249302 0.906429 O\n0.883508 0.500505 0.704575 O\n0.690503 0.890713 0.479208 O\n0.447236 0.693782 0.894494 O\n",
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"formula_full": "Li4 Ti1 Ni5 P6 O24",
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{
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{
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"created_at": "2022-09-04T14:41:01.822447Z",
"structure_string": "Sr4 Al2 Cu4 Sb2 O14\n1.0\n5.177472 0.000298 -1.193143\n-0.278888 5.195731 -1.207955\n0.200354 0.217832 12.682674\nSr Al Cu Sb O\n4 2 4 2 14\ndirect\n0.337744 0.363592 0.717353 Sr\n0.621840 0.639668 0.284041 Sr\n0.838452 0.855096 0.717318 Sr\n0.122167 0.148457 0.284058 Sr\n0.990017 0.999091 0.000683 Al\n0.485981 0.497578 0.000675 Al\n0.929503 0.442287 0.887814 Cu\n0.042503 0.556918 0.113121 Cu\n0.430321 0.941802 0.887652 Cu\n0.544822 0.057136 0.113950 Cu\n0.240408 0.748351 0.500716 Sb\n0.740158 0.254948 0.500692 Sb\n0.106770 0.384683 0.500743 O\n0.607050 0.618663 0.500614 O\n0.257479 0.268880 0.896681 O\n0.361230 0.729305 0.103594 O\n0.758386 0.123817 0.897762 O\n0.863794 0.876262 0.104682 O\n0.610216 0.622552 0.896837 O\n0.715425 0.377365 0.105601 O\n0.110434 0.769743 0.895723 O\n0.216216 0.229887 0.104557 O\n0.331209 0.831057 0.678130 O\n0.653272 0.171320 0.323236 O\n0.830090 0.348242 0.678091 O\n0.153778 0.654581 0.323456 O\n",
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{
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"structure_string": "Ce2 Se4\n1.0\n2.658816 -4.605204 0.000000\n2.658816 4.605204 0.000000\n0.000000 0.000000 5.772452\nCe Se\n2 4\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n",
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{
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"structure_string": "Ba4 Ti4 Cu2 F28\n1.0\n2.690407 7.203300 0.000000\n-2.690407 7.203300 0.000000\n0.000000 0.317567 15.309852\nBa Ti Cu F\n4 4 2 28\ndirect\n0.105872 0.249217 0.876497 Ba\n0.249217 0.105872 0.376497 Ba\n0.894128 0.750783 0.123503 Ba\n0.750783 0.894128 0.623503 Ba\n0.100773 0.142492 0.628724 Ti\n0.899227 0.857508 0.371276 Ti\n0.142492 0.100773 0.128724 Ti\n0.857508 0.899227 0.871276 Ti\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.940985 0.059437 0.151391 F\n0.887239 0.397528 0.050687 F\n0.112761 0.602472 0.949313 F\n0.643027 0.864783 0.911630 F\n0.625626 0.498546 0.896689 F\n0.501454 0.374374 0.603311 F\n0.397528 0.887239 0.550687 F\n0.940563 0.059015 0.348609 F\n0.357143 0.990622 0.716575 F\n0.356973 0.135217 0.088370 F\n0.846323 0.405287 0.706223 F\n0.135217 0.356973 0.588370 F\n0.405287 0.846323 0.206223 F\n0.153677 0.594713 0.293777 F\n0.498546 0.625626 0.396689 F\n0.642857 0.009378 0.283425 F\n0.119241 0.709297 0.475771 F\n0.059015 0.940563 0.848609 F\n0.880759 0.290703 0.524229 F\n0.709297 0.119241 0.975771 F\n0.602472 0.112761 0.449313 F\n0.594713 0.153677 0.793777 F\n0.990622 0.357143 0.216575 F\n0.290703 0.880759 0.024229 F\n0.374374 0.501454 0.103311 F\n0.059437 0.940985 0.651391 F\n0.009378 0.642857 0.783425 F\n0.864783 0.643027 0.411630 F\n",
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{
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{
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"structure_string": "Li12 Mn12 P12 O48\n1.0\n7.728622 0.000000 0.000000\n0.000000 8.493637 0.000000\n0.000000 8.329159 15.038593\nLi Mn P O\n12 12 12 48\ndirect\n0.769837 0.849799 0.593595 Li\n0.724155 0.180305 0.232325 Li\n0.776864 0.464539 0.922476 Li\n0.276864 0.535461 0.577524 Li\n0.224155 0.819695 0.267675 Li\n0.269837 0.150201 0.906405 Li\n0.730163 0.849799 0.093595 Li\n0.775845 0.180305 0.732325 Li\n0.723136 0.464539 0.422476 Li\n0.223136 0.535461 0.077524 Li\n0.275845 0.819695 0.767675 Li\n0.230163 0.150201 0.406405 Li\n0.474021 0.201639 0.066673 Mn\n0.524283 0.850141 0.408517 Mn\n0.431034 0.509912 0.752008 Mn\n0.931034 0.490088 0.747992 Mn\n0.024283 0.149859 0.091483 Mn\n0.974021 0.798361 0.433327 Mn\n0.025979 0.201639 0.566673 Mn\n0.975717 0.850141 0.908517 Mn\n0.068966 0.509912 0.252008 Mn\n0.568966 0.490088 0.247992 Mn\n0.475717 0.149859 0.591483 Mn\n0.525979 0.798361 0.933327 Mn\n0.178018 0.856241 0.590809 P\n0.320544 0.188703 0.231038 P\n0.177429 0.473863 0.924310 P\n0.677429 0.526137 0.575690 P\n0.820544 0.811297 0.268962 P\n0.678018 0.143759 0.909191 P\n0.321982 0.856241 0.090809 P\n0.179456 0.188703 0.731038 P\n0.322571 0.473863 0.424310 P\n0.822571 0.526137 0.075690 P\n0.679456 0.811297 0.768962 P\n0.821982 0.143759 0.409191 P\n0.995786 0.085266 0.385377 O\n0.859950 0.321758 0.124659 O\n0.713052 0.970149 0.465074 O\n0.776235 0.634333 0.790505 O\n0.293559 0.419069 0.007993 O\n0.494943 0.248018 0.178440 O\n0.358164 0.075945 0.331930 O\n0.271951 0.729218 0.679626 O\n0.006796 0.363776 0.954992 O\n0.143424 0.752937 0.538490 O\n0.268960 0.416865 0.860734 O\n0.216286 0.080307 0.195669 O\n0.768960 0.583135 0.639266 O\n0.716286 0.919693 0.304331 O\n0.643424 0.247063 0.961510 O\n0.506796 0.636224 0.545008 O\n0.771951 0.270782 0.820374 O\n0.858164 0.924055 0.168070 O\n0.994943 0.751982 0.321560 O\n0.276235 0.365667 0.709495 O\n0.793559 0.580931 0.492007 O\n0.213052 0.029851 0.034926 O\n0.359950 0.678242 0.375341 O\n0.495786 0.914734 0.114623 O\n0.504214 0.085266 0.885377 O\n0.640050 0.321758 0.624659 O\n0.786948 0.970149 0.965074 O\n0.206441 0.419069 0.507993 O\n0.723765 0.634333 0.290505 O\n0.005057 0.248018 0.678440 O\n0.141836 0.075945 0.831930 O\n0.228049 0.729218 0.179626 O\n0.493204 0.363776 0.454992 O\n0.356576 0.752937 0.038490 O\n0.283714 0.080307 0.695669 O\n0.231040 0.416865 0.360734 O\n0.783714 0.919693 0.804331 O\n0.731040 0.583135 0.139266 O\n0.856576 0.247063 0.461510 O\n0.993204 0.636224 0.045008 O\n0.728049 0.270782 0.320374 O\n0.641836 0.924055 0.668070 O\n0.505057 0.751982 0.821560 O\n0.706441 0.580931 0.992007 O\n0.223765 0.365667 0.209495 O\n0.286948 0.029851 0.534926 O\n0.140050 0.678242 0.875341 O\n0.004214 0.914734 0.614623 O\n",
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"formula_full": "Li12 Mn12 P12 O48",
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},
{
"id": "mp-1087550",
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"structure_string": "Ce12 Se24\n1.0\n11.608282 11.929446 0.000000\n-11.608282 11.929446 0.000000\n0.000000 2.712599 12.340876\nCe Se\n12 24\ndirect\n0.009345 0.785258 0.955949 Ce\n0.785258 0.009345 0.955949 Ce\n0.990655 0.214742 0.044051 Ce\n0.214742 0.990655 0.044051 Ce\n0.878467 0.654491 0.350036 Ce\n0.654491 0.878467 0.350036 Ce\n0.121533 0.345509 0.649964 Ce\n0.345509 0.121533 0.649964 Ce\n0.106691 0.667844 0.587655 Ce\n0.667844 0.106691 0.587655 Ce\n0.893309 0.332156 0.412345 Ce\n0.332156 0.893309 0.412345 Ce\n0.141261 0.858739 0.000000 Se\n0.858739 0.141261 0.000000 Se\n0.900604 0.900604 0.893921 Se\n0.099396 0.099396 0.106079 Se\n0.939388 0.686703 0.136072 Se\n0.686703 0.939388 0.136072 Se\n0.060612 0.313297 0.863928 Se\n0.313297 0.060612 0.863928 Se\n0.055501 0.696209 0.793406 Se\n0.696209 0.055501 0.793406 Se\n0.944499 0.303791 0.206594 Se\n0.303791 0.944499 0.206594 Se\n0.735038 0.735038 0.387345 Se\n0.264962 0.264962 0.612655 Se\n0.854465 0.491973 0.409699 Se\n0.491973 0.854465 0.409699 Se\n0.145535 0.508027 0.590301 Se\n0.508027 0.145535 0.590301 Se\n0.985350 0.705585 0.467361 Se\n0.705585 0.985350 0.467361 Se\n0.014650 0.294415 0.532639 Se\n0.294415 0.014650 0.532639 Se\n0.238689 0.761311 0.500000 Se\n0.761311 0.238689 0.500000 Se\n",
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{
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"structure_string": "Sr12 Nb8 Co4 O36\n1.0\n5.677295 0.000000 0.000000\n0.000000 13.241607 2.349950\n0.000000 3.481838 15.566440\nSr Nb Co O\n12 8 4 36\ndirect\n0.982223 0.062151 0.269093 Sr\n0.480332 0.103119 0.561775 Sr\n0.002605 0.260423 0.405365 Sr\n0.482223 0.437849 0.230907 Sr\n0.017777 0.937849 0.730907 Sr\n0.502605 0.239577 0.094635 Sr\n0.019668 0.603119 0.061775 Sr\n0.519668 0.896881 0.438225 Sr\n0.497395 0.760423 0.905365 Sr\n0.980332 0.396881 0.938225 Sr\n0.997395 0.739577 0.594635 Sr\n0.517777 0.562151 0.769093 Sr\n0.526856 0.676565 0.329909 Nb\n0.026856 0.823435 0.170091 Nb\n0.973144 0.176565 0.829909 Nb\n0.007773 0.663284 0.835478 Nb\n0.507773 0.836716 0.664522 Nb\n0.992227 0.336716 0.164522 Nb\n0.473144 0.323435 0.670091 Nb\n0.492227 0.163284 0.335478 Nb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.308949 0.925244 0.562249 O\n0.969736 0.557592 0.773546 O\n0.718855 0.262336 0.757709 O\n0.448751 0.277062 0.385232 O\n0.806389 0.238218 0.276288 O\n0.551249 0.722938 0.614768 O\n0.691051 0.074756 0.437751 O\n0.802934 0.903561 0.606627 O\n0.514461 0.292521 0.570453 O\n0.697066 0.403561 0.106627 O\n0.451871 0.473149 0.630096 O\n0.781145 0.762336 0.257709 O\n0.014461 0.207479 0.929547 O\n0.470224 0.602973 0.059099 O\n0.218855 0.237664 0.742291 O\n0.548129 0.526851 0.369904 O\n0.281145 0.737664 0.242291 O\n0.197066 0.096439 0.393373 O\n0.051249 0.777062 0.885232 O\n0.030264 0.442408 0.226454 O\n0.808949 0.574756 0.937751 O\n0.693611 0.738218 0.776288 O\n0.302934 0.596439 0.893373 O\n0.951871 0.026851 0.869904 O\n0.306389 0.261782 0.223712 O\n0.530264 0.057592 0.273546 O\n0.048129 0.973149 0.130096 O\n0.029776 0.102973 0.559099 O\n0.970224 0.897027 0.440901 O\n0.191051 0.425244 0.062249 O\n0.948751 0.222938 0.114768 O\n0.529776 0.397027 0.940901 O\n0.485539 0.707479 0.429547 O\n0.193611 0.761782 0.723712 O\n0.985539 0.792521 0.070453 O\n0.469736 0.942408 0.726454 O\n",
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}
]
}