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{
"id": "mp-861267",
"created_at": "2022-09-04T14:39:38.539537Z",
"structure_string": "Li12 Mn1 V3 P4 C4 O28\n1.0\n6.624613 0.000000 0.000000\n0.000000 8.503437 0.000000\n0.000000 0.871302 9.976222\nLi Mn V P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.902919 0.618428 Li\n0.000000 0.907127 0.118636 Li\n0.223604 0.721854 0.875539 Li\n0.776396 0.721854 0.875539 Li\n0.223369 0.724017 0.376402 Li\n0.776631 0.724017 0.376402 Li\n0.724743 0.277688 0.624000 Li\n0.275257 0.277688 0.624000 Li\n0.722700 0.277065 0.123308 Li\n0.277300 0.277065 0.123308 Li\n0.500000 0.095084 0.882371 Li\n0.500000 0.094644 0.382566 Li\n0.000000 0.339544 0.389760 Mn\n0.500000 0.669881 0.604033 V\n0.500000 0.670050 0.103578 V\n0.000000 0.329890 0.896899 V\n0.000000 0.587699 0.641106 P\n0.000000 0.591269 0.138118 P\n0.500000 0.411066 0.860010 P\n0.500000 0.410923 0.360354 P\n0.500000 0.964452 0.650609 C\n0.500000 0.964459 0.150397 C\n0.000000 0.035371 0.849631 C\n0.000000 0.032869 0.351040 C\n0.500000 0.924732 0.527901 O\n0.000000 0.889560 0.822549 O\n0.500000 0.924985 0.027711 O\n0.500000 0.851484 0.747357 O\n0.000000 0.886940 0.321660 O\n0.500000 0.851371 0.247129 O\n0.182414 0.690017 0.587887 O\n0.817586 0.690017 0.587887 O\n0.182936 0.692092 0.084820 O\n0.817064 0.692092 0.084820 O\n0.500000 0.577837 0.910436 O\n0.000000 0.569730 0.797979 O\n0.500000 0.577788 0.410623 O\n0.000000 0.575228 0.294881 O\n0.500000 0.430466 0.703369 O\n0.000000 0.420248 0.591415 O\n0.500000 0.430319 0.203599 O\n0.000000 0.421960 0.091682 O\n0.317517 0.308401 0.912930 O\n0.682483 0.308401 0.912930 O\n0.683261 0.308803 0.412814 O\n0.316739 0.308803 0.412814 O\n0.000000 0.148803 0.753108 O\n0.500000 0.110680 0.677620 O\n0.000000 0.145797 0.254022 O\n0.000000 0.075235 0.972445 O\n0.500000 0.110620 0.177571 O\n0.000000 0.069099 0.474006 O\n",
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"formula_full": "Li12 Mn1 V3 P4 C4 O28",
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},
{
"id": "mp-988320",
"created_at": "2022-09-04T14:39:34.263688Z",
"structure_string": "Sr20 Cu10 Bi20 O58\n1.0\n5.403426 0.000000 0.000000\n2.701713 13.618726 0.000000\n2.701713 3.040869 24.813060\nSr Cu Bi O\n20 10 20 58\ndirect\n0.185593 0.839786 0.511098 Sr\n0.195209 0.421210 0.927891 Sr\n0.828355 0.749455 0.871991 Sr\n0.846109 0.578790 0.072109 Sr\n0.690164 0.507185 0.827733 Sr\n0.207479 0.059491 0.321781 Sr\n0.707718 0.337914 0.028452 Sr\n0.714105 0.159916 0.226227 Sr\n0.834708 0.160214 0.488902 Sr\n0.701192 0.951932 0.416586 Sr\n0.355246 0.492815 0.172267 Sr\n0.206909 0.250545 0.128009 Sr\n0.177339 0.614758 0.717677 Sr\n0.332673 0.048068 0.583414 Sr\n0.844904 0.385242 0.282323 Sr\n0.327961 0.840084 0.773773 Sr\n0.341352 0.662086 0.971548 Sr\n0.680036 0.726462 0.609463 Sr\n0.344112 0.273538 0.390537 Sr\n0.826206 0.940509 0.678219 Sr\n0.779776 0.176267 0.355651 Cu\n0.758926 0.941761 0.547870 Cu\n0.247859 0.823733 0.644349 Cu\n0.784847 0.375251 0.154800 Cu\n0.767582 0.542494 0.948654 Cu\n0.276433 0.457506 0.051346 Cu\n0.269295 0.058239 0.452130 Cu\n0.254795 0.624749 0.845200 Cu\n0.284494 0.280208 0.255738 Cu\n0.748549 0.719792 0.744262 Cu\n0.117496 0.975630 0.179110 Bi\n0.954623 0.462429 0.429755 Bi\n0.487498 0.411304 0.682327 Bi\n0.147933 0.325937 0.776946 Bi\n0.391421 0.595298 0.315099 Bi\n0.408724 0.345882 0.533402 Bi\n0.572255 0.231356 0.891175 Bi\n0.115668 0.148691 0.987844 Bi\n0.529440 0.654118 0.466598 Bi\n0.962757 0.024370 0.820890 Bi\n0.449725 0.768644 0.108825 Bi\n0.965203 0.226193 0.633062 Bi\n0.045050 0.674063 0.223054 Bi\n0.575298 0.880928 0.270927 Bi\n0.577212 0.066012 0.085329 Bi\n0.062438 0.537571 0.570245 Bi\n0.425870 0.933988 0.914671 Bi\n0.423443 0.119072 0.729073 Bi\n0.979133 0.851309 0.012156 Bi\n0.105947 0.773807 0.366938 Bi\n0.524124 0.307999 0.810127 O\n0.163771 0.108686 0.212505 O\n0.157768 0.461150 0.805784 O\n0.890835 0.538850 0.194216 O\n0.090939 0.664331 0.608991 O\n0.497069 0.669722 0.792258 O\n0.519203 0.497785 0.999225 O\n0.403056 0.633030 0.080343 O\n0.003835 0.884667 0.596895 O\n0.533618 0.226097 0.303112 O\n0.817618 0.335669 0.391009 O\n0.695550 0.010674 0.307081 O\n0.405999 0.692001 0.189873 O\n0.042846 0.234961 0.307802 O\n0.696260 0.199640 0.117887 O\n0.035089 0.330278 0.207742 O\n0.522272 0.115333 0.403105 O\n0.178408 0.887212 0.268800 O\n0.017364 0.000967 0.500643 O\n0.377795 0.989326 0.692919 O\n0.390283 0.213733 0.501626 O\n0.181950 0.065782 0.091611 O\n0.515754 0.999033 0.499357 O\n0.378732 0.800360 0.882113 O\n0.506277 0.784728 0.358317 O\n0.022189 0.120144 0.405587 O\n0.512629 0.583801 0.896666 O\n0.500083 0.765039 0.692198 O\n0.139693 0.457920 0.646947 O\n0.991439 0.667386 0.793987 O\n0.034826 0.542080 0.353053 O\n0.322349 0.422214 0.451521 O\n0.530964 0.415480 0.101909 O\n0.013576 0.584520 0.898091 O\n0.024557 0.934218 0.908389 O\n0.360156 0.022758 0.818056 O\n0.850868 0.718726 0.981773 O\n0.150369 0.281274 0.018227 O\n0.689683 0.366970 0.919657 O\n0.516387 0.145689 0.999814 O\n0.022194 0.502215 0.000775 O\n0.496458 0.879856 0.594413 O\n0.847622 0.094515 0.599021 O\n0.530065 0.332614 0.206013 O\n0.032162 0.416199 0.103334 O\n0.842580 0.891314 0.787495 O\n0.178753 0.225686 0.904344 O\n0.370884 0.854311 0.000186 O\n0.004409 0.773903 0.696888 O\n0.048723 0.774314 0.095656 O\n0.363233 0.215272 0.641683 O\n0.519342 0.977242 0.181944 O\n0.151259 0.688432 0.450449 O\n0.154086 0.905485 0.400979 O\n0.674924 0.786267 0.498374 O\n0.022396 0.112788 0.731200 O\n0.448613 0.577786 0.548479 O\n0.012378 0.311568 0.549551 O\n",
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"elements": [
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"volume": 1825.9379546335526,
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"formula_full": "Sr20 Cu10 Bi20 O58",
"formula_reduced": "Sr10Cu5Bi10O29",
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},
{
"id": "mp-777777",
"created_at": "2022-09-04T14:39:31.242198Z",
"structure_string": "P2 H36 C12 N6 O2\n1.0\n12.958891 0.000000 0.000000\n0.000000 6.625278 0.000000\n0.000000 1.692981 6.418128\nP H C N O\n2 36 12 6 2\ndirect\n0.750000 0.870081 0.482419 P\n0.250000 0.129919 0.517581 P\n0.490613 0.906333 0.723551 H\n0.009387 0.906333 0.723551 H\n0.378901 0.792361 0.865903 H\n0.121099 0.792361 0.865903 H\n0.388838 0.807497 0.593281 H\n0.111162 0.807497 0.593281 H\n0.847524 0.877241 0.025201 H\n0.652476 0.877241 0.025201 H\n0.960485 0.768488 0.165948 H\n0.539515 0.768488 0.165948 H\n0.845926 0.529522 0.850691 H\n0.654074 0.529522 0.850691 H\n0.912789 0.580355 0.607488 H\n0.587211 0.580355 0.607488 H\n0.160392 0.656152 0.303014 H\n0.339608 0.656152 0.303014 H\n0.839718 0.637850 0.224615 H\n0.660282 0.637850 0.224615 H\n0.160282 0.362150 0.775385 H\n0.339718 0.362150 0.775385 H\n0.839608 0.343848 0.696986 H\n0.660392 0.343848 0.696986 H\n0.412789 0.419645 0.392512 H\n0.087211 0.419645 0.392512 H\n0.154074 0.470478 0.149309 H\n0.345926 0.470478 0.149309 H\n0.460485 0.231512 0.834052 H\n0.039515 0.231512 0.834052 H\n0.347524 0.122759 0.974799 H\n0.152476 0.122759 0.974799 H\n0.888838 0.192503 0.406719 H\n0.611162 0.192503 0.406719 H\n0.878901 0.207639 0.134097 H\n0.621099 0.207639 0.134097 H\n0.509387 0.093667 0.276449 H\n0.990613 0.093667 0.276449 H\n0.406352 0.888624 0.713746 C\n0.093648 0.888624 0.713746 C\n0.876777 0.791567 0.179813 C\n0.623223 0.791567 0.179813 C\n0.842787 0.511632 0.689560 C\n0.657213 0.511632 0.689560 C\n0.342787 0.488368 0.310440 C\n0.157213 0.488368 0.310440 C\n0.376777 0.208433 0.820187 C\n0.123223 0.208433 0.820187 C\n0.906352 0.111376 0.286254 C\n0.593648 0.111376 0.286254 C\n0.858190 0.905279 0.338296 N\n0.641810 0.905279 0.338296 N\n0.750000 0.610648 0.581740 N\n0.250000 0.389352 0.418260 N\n0.358190 0.094721 0.661704 N\n0.141810 0.094721 0.661704 N\n0.250000 0.990022 0.373322 O\n0.750000 0.009978 0.626678 O\n",
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"formula_full": "P2 H36 C12 N6 O2",
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{
"id": "mp-579463",
"created_at": "2022-09-04T14:39:47.237261Z",
"structure_string": "Cu8 Pb4 Se12 O36\n1.0\n7.569103 -0.008138 2.305632\n-0.336255 9.375788 1.218675\n-0.034617 -0.033161 12.727786\nCu Pb Se O\n8 4 12 36\ndirect\n0.557501 0.559318 0.297158 Cu\n0.620494 0.169049 0.303154 Cu\n0.774265 0.169571 0.038996 Cu\n0.379506 0.830951 0.696846 Cu\n0.442499 0.440682 0.702842 Cu\n0.225735 0.830429 0.961004 Cu\n0.165367 0.241552 0.013707 Cu\n0.834633 0.758448 0.986293 Cu\n0.051837 0.140632 0.341970 Pb\n0.125320 0.662026 0.348782 Pb\n0.874680 0.337974 0.651218 Pb\n0.948163 0.859368 0.658030 Pb\n0.677436 0.626067 0.506187 Se\n0.914788 0.444567 0.175262 Se\n0.125033 0.105539 0.805169 Se\n0.085212 0.555433 0.824738 Se\n0.434338 0.875308 0.127715 Se\n0.874967 0.894461 0.194831 Se\n0.551667 0.629368 0.871391 Se\n0.637421 0.091353 0.553859 Se\n0.362579 0.908647 0.446141 Se\n0.448333 0.370632 0.128609 Se\n0.322564 0.373933 0.493813 Se\n0.565662 0.124692 0.872285 Se\n0.987084 0.830600 0.069033 O\n0.850661 0.139895 0.549726 O\n0.257666 0.381226 0.636056 O\n0.246094 0.286269 0.139845 O\n0.632911 0.442669 0.560429 O\n0.431072 0.779134 0.838356 O\n0.042716 0.642177 0.940248 O\n0.367089 0.557331 0.439571 O\n0.732326 0.536618 0.157425 O\n0.343262 0.108962 0.950841 O\n0.957284 0.357823 0.059752 O\n0.149339 0.860105 0.450274 O\n0.131586 0.922867 0.840554 O\n0.302971 0.953050 0.582957 O\n0.343394 0.749180 0.068730 O\n0.119429 0.346841 0.474688 O\n0.563233 0.226798 0.750283 O\n0.622663 0.923812 0.631289 O\n0.568928 0.220866 0.161644 O\n0.697029 0.046950 0.417043 O\n0.656606 0.250820 0.931270 O\n0.436767 0.773202 0.249717 O\n0.040731 0.899102 0.257287 O\n0.012916 0.169400 0.930967 O\n0.753906 0.713731 0.860155 O\n0.267674 0.463382 0.842575 O\n0.180418 0.690043 0.713799 O\n0.742334 0.618774 0.363944 O\n0.377337 0.076188 0.368711 O\n0.385918 0.435302 0.253988 O\n0.656738 0.891038 0.049159 O\n0.819582 0.309957 0.286201 O\n0.880571 0.653159 0.525312 O\n0.959269 0.100898 0.742713 O\n0.868414 0.077133 0.159446 O\n0.614082 0.564698 0.746012 O\n",
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"formula_full": "Cu8 Pb4 Se12 O36",
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{
"id": "mp-778608",
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"structure_string": "Li12 Fe2 O8 F2\n1.0\n9.601886 0.000000 0.000000\n0.000000 5.005962 0.000000\n0.000000 2.398824 4.731149\nLi Fe O F\n12 2 8 2\ndirect\n0.255120 0.421429 0.397913 Li\n0.755786 0.198646 0.380073 Li\n0.999281 0.743320 0.480282 Li\n0.493409 0.775028 0.435154 Li\n0.993409 0.224972 0.564846 Li\n0.499281 0.256680 0.519718 Li\n0.755120 0.578571 0.602087 Li\n0.255786 0.801354 0.619927 Li\n0.554113 0.278147 0.021648 Li\n0.937863 0.334123 0.006821 Li\n0.054113 0.721853 0.978352 Li\n0.437863 0.665877 0.993179 Li\n0.261663 0.185361 0.989240 Fe\n0.761663 0.814639 0.010760 Fe\n0.901171 0.559793 0.281992 O\n0.605998 0.585190 0.246828 O\n0.379988 0.140732 0.302468 O\n0.879988 0.859268 0.697532 O\n0.401171 0.440207 0.718008 O\n0.105998 0.414810 0.753172 O\n0.749893 0.206512 0.989342 O\n0.249893 0.793488 0.010658 O\n0.105717 0.101092 0.343157 F\n0.605717 0.898908 0.656843 F\n",
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{
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