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{
"id": "mp-1185910",
"created_at": "2022-09-04T14:40:52.545205Z",
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{
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"structure_string": "K3 Fe22 O34\n1.0\n5.803093 -0.002384 0.002982\n-2.903460 5.029104 -0.001230\n0.012058 0.000765 23.513381\nK Fe O\n3 22 34\ndirect\n0.361129 0.680504 0.750539 K\n0.643228 0.401097 0.249851 K\n0.926193 0.083193 0.250109 K\n0.168776 0.832677 0.896196 Fe\n0.168953 0.832201 0.603871 Fe\n0.330867 0.671436 0.170928 Fe\n0.332554 0.665866 0.025620 Fe\n0.331734 0.671496 0.329185 Fe\n0.168912 0.336674 0.896107 Fe\n0.168903 0.336381 0.603879 Fe\n0.331605 0.665984 0.474178 Fe\n0.999978 0.999424 0.000475 Fe\n0.999126 0.000559 0.499350 Fe\n0.665433 0.832603 0.603737 Fe\n0.665423 0.832849 0.896314 Fe\n0.337065 0.168816 0.104194 Fe\n0.337362 0.168799 0.395730 Fe\n0.668569 0.333953 0.672894 Fe\n0.831237 0.663660 0.103935 Fe\n0.668768 0.335052 0.827467 Fe\n0.667107 0.332773 0.974487 Fe\n0.831477 0.663741 0.396005 Fe\n0.667030 0.333630 0.525365 Fe\n0.831518 0.168532 0.395797 Fe\n0.831397 0.168636 0.104161 Fe\n0.157472 0.843296 0.442375 O\n0.158222 0.843006 0.057581 O\n0.025908 0.512846 0.646937 O\n0.026418 0.513301 0.853197 O\n0.345507 0.646064 0.250043 O\n0.156258 0.312757 0.442528 O\n0.999987 0.999013 0.144226 O\n0.000554 0.999106 0.355707 O\n0.001042 0.000656 0.857245 O\n0.000777 0.000032 0.642864 O\n0.334187 0.667260 0.557027 O\n0.333729 0.667029 0.942962 O\n0.156054 0.312230 0.057217 O\n0.490160 0.977842 0.853727 O\n0.489936 0.977387 0.646436 O\n0.312185 0.156240 0.556087 O\n0.312439 0.156287 0.943643 O\n0.490293 0.512009 0.646371 O\n0.489971 0.512601 0.853623 O\n0.510135 0.490773 0.353437 O\n0.509144 0.491140 0.146424 O\n0.686497 0.843662 0.442595 O\n0.687140 0.844334 0.057277 O\n0.516385 0.032093 0.350234 O\n0.666966 0.333286 0.442345 O\n0.658353 0.329654 0.750166 O\n0.666964 0.333319 0.057605 O\n0.515931 0.032119 0.149843 O\n0.844133 0.687176 0.943668 O\n0.844740 0.687851 0.556130 O\n0.969638 0.485567 0.149170 O\n0.970346 0.485945 0.350961 O\n0.844628 0.157715 0.556345 O\n0.844329 0.156670 0.943631 O\n",
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"density": 4.574226526934274,
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"formula_full": "K3 Fe22 O34",
"formula_reduced": "K3(Fe11O17)2",
"formula_anonymous": "A3B22C34",
"energy": -447.33532834,
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"spacegroup": 6
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{
"id": "mp-1212596",
"created_at": "2022-09-04T14:40:52.487143Z",
"structure_string": "Eu8 B8 O20\n1.0\n5.367696 0.000000 0.000000\n0.000000 7.770669 0.000000\n0.000000 0.608950 11.951540\nEu B O\n8 8 20\ndirect\n0.409256 0.877207 0.838486 Eu\n0.590744 0.122793 0.161514 Eu\n0.909256 0.122793 0.661514 Eu\n0.090744 0.877207 0.338486 Eu\n0.949126 0.616814 0.633518 Eu\n0.050874 0.383186 0.366482 Eu\n0.449126 0.383186 0.866482 Eu\n0.550874 0.616814 0.133518 Eu\n0.449998 0.339019 0.584239 B\n0.550002 0.660981 0.415761 B\n0.949998 0.660981 0.915761 B\n0.050002 0.339019 0.084239 B\n0.427398 0.839704 0.594353 B\n0.572602 0.160296 0.405647 B\n0.927398 0.160296 0.905647 B\n0.072602 0.839704 0.094353 B\n0.206787 0.892056 0.639780 O\n0.793213 0.107944 0.360220 O\n0.706787 0.107944 0.860220 O\n0.293213 0.892056 0.139780 O\n0.648763 0.857849 0.648702 O\n0.351237 0.142151 0.351298 O\n0.148763 0.142151 0.851298 O\n0.851237 0.857849 0.148702 O\n0.099511 0.754578 0.992534 O\n0.900489 0.245422 0.007466 O\n0.599511 0.245422 0.507466 O\n0.400489 0.754578 0.492534 O\n0.197390 0.355206 0.571257 O\n0.802610 0.644794 0.428743 O\n0.697390 0.644794 0.928743 O\n0.302610 0.355206 0.071257 O\n0.091393 0.599024 0.831072 O\n0.908607 0.400976 0.168928 O\n0.591393 0.400976 0.668928 O\n0.408607 0.599024 0.331072 O\n",
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"volume": 498.50577176497603,
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"formula_full": "Eu8 B8 O20",
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"spacegroup": 14
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{
"id": "mp-1236116",
"created_at": "2022-09-04T14:40:52.494123Z",
"structure_string": "Ba2 Li1 Tb1 Ir1 O6\n1.0\n5.372293 0.193511 3.417697\n1.973054 5.002061 3.418069\n0.272929 0.193382 6.362772\nBa Li Tb Ir O\n2 1 1 1 6\ndirect\n0.252633 0.252861 0.252861 Ba\n0.711659 0.711625 0.711625 Ba\n0.870516 0.871678 0.871678 Li\n0.495217 0.495407 0.495407 Tb\n0.010401 0.010509 0.010509 Ir\n0.243911 0.766929 0.766929 O\n0.241618 0.766295 0.241420 O\n0.766584 0.244484 0.767006 O\n0.241618 0.241420 0.766295 O\n0.766446 0.241576 0.241576 O\n0.766584 0.767006 0.244484 O\n",
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"volume": 161.82211655262242,
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"formula_full": "Ba2 Li1 Tb1 Ir1 O6",
"formula_reduced": "Ba2LiTbIrO6",
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{
"id": "mp-973773",
"created_at": "2022-09-04T14:40:52.547399Z",
"structure_string": "Nd2 Cd2 O5\n1.0\n4.275416 0.000000 0.000000\n0.000000 4.275416 0.000000\n0.000000 0.000000 7.411247\nNd Cd O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.500000 0.208770 Cd\n0.500000 0.500000 0.791230 Cd\n0.500000 0.000000 0.202354 O\n0.500000 0.000000 0.797646 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.202354 O\n0.000000 0.500000 0.797646 O\n",
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"formula_full": "Nd2 Cd2 O5",
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{
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"structure_string": "Li2 Mo2 P4 O14\n1.0\n6.561706 0.000000 0.000000\n0.890644 6.522779 0.000000\n2.718775 0.359066 6.404141\nLi Mo P O\n2 2 4 14\ndirect\n0.699009 0.010825 0.829673 Li\n0.300991 0.989175 0.170327 Li\n0.905400 0.348817 0.223694 Mo\n0.094600 0.651183 0.776306 Mo\n0.780742 0.864195 0.236045 P\n0.650108 0.611505 0.648734 P\n0.219258 0.135805 0.763955 P\n0.349892 0.388495 0.351266 P\n0.223712 0.290782 0.246356 O\n0.622585 0.952723 0.133448 O\n0.927440 0.016647 0.260076 O\n0.377415 0.047277 0.866552 O\n0.368617 0.221987 0.535559 O\n0.072560 0.983353 0.739924 O\n0.058887 0.325788 0.876810 O\n0.588981 0.406355 0.203661 O\n0.770887 0.410923 0.546846 O\n0.631383 0.778013 0.464441 O\n0.411019 0.593645 0.796339 O\n0.941113 0.674212 0.123190 O\n0.776288 0.709218 0.753644 O\n0.229113 0.589077 0.453154 O\n",
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{
"id": "mp-766087",
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"structure_string": "Li4 Ni4 P8 O28\n1.0\n5.108577 0.000000 0.000000\n0.000000 8.284598 0.000000\n0.000000 4.920243 12.841165\nLi Ni P O\n4 4 8 28\ndirect\n0.515228 0.431583 0.840295 Li\n0.927435 0.986442 0.162629 Li\n0.072565 0.986442 0.662629 Li\n0.484772 0.431583 0.340295 Li\n0.993178 0.717676 0.358058 Ni\n0.006822 0.717676 0.858058 Ni\n0.518560 0.266527 0.138855 Ni\n0.481440 0.266527 0.638855 Ni\n0.025353 0.304862 0.977764 P\n0.457529 0.821470 0.199646 P\n0.512926 0.701626 0.520962 P\n0.542471 0.821470 0.699646 P\n0.980340 0.173424 0.308894 P\n0.974647 0.304862 0.477764 P\n0.019660 0.173424 0.808894 P\n0.487074 0.701626 0.020962 P\n0.981880 0.151068 0.928306 O\n0.276804 0.274433 0.772340 O\n0.788014 0.275581 0.745678 O\n0.460316 0.521703 0.600445 O\n0.320935 0.317989 0.992540 O\n0.800023 0.710062 0.486890 O\n0.899613 0.466065 0.898236 O\n0.326917 0.761562 0.429885 O\n0.520756 0.005054 0.193143 O\n0.361873 0.687111 0.774639 O\n0.958787 0.991923 0.304653 O\n0.835494 0.778126 0.715789 O\n0.476540 0.834936 0.580618 O\n0.878245 0.230496 0.080335 O\n0.673083 0.761562 0.929885 O\n0.018120 0.151068 0.428306 O\n0.723196 0.274433 0.272340 O\n0.479244 0.005054 0.693143 O\n0.211986 0.275581 0.245678 O\n0.041213 0.991923 0.804653 O\n0.121755 0.230496 0.580335 O\n0.539684 0.521703 0.100445 O\n0.679065 0.317989 0.492540 O\n0.199977 0.710062 0.986890 O\n0.100387 0.466065 0.398236 O\n0.638127 0.687111 0.274639 O\n0.164506 0.778126 0.215789 O\n0.523460 0.834936 0.080618 O\n",
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"formula_full": "Li4 Ni4 P8 O28",
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{
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"structure_string": "Li4 Co1 Te1 O6\n1.0\n4.514894 2.631610 0.000000\n-4.514894 2.631610 0.000000\n0.000000 1.841832 4.892310\nLi Co Te O\n4 1 1 6\ndirect\n0.828748 0.171252 0.500000 Li\n0.169793 0.830207 0.500000 Li\n0.501603 0.498397 0.500000 Li\n0.666061 0.333939 0.000000 Li\n0.334338 0.665662 0.000000 Co\n0.000226 0.999774 0.000000 Te\n0.083557 0.388510 0.766186 O\n0.380310 0.069056 0.764243 O\n0.930944 0.619690 0.235757 O\n0.611490 0.916443 0.233814 O\n0.225297 0.232366 0.224125 O\n0.767634 0.774703 0.775875 O\n",
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{
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