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{
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{
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{
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"structure_string": "Li6 Cu1 F8\n1.0\n0.000000 4.148316 4.148316\n4.148316 0.000000 4.148316\n4.148316 4.148316 0.000000\nLi Cu F\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 F\n0.757026 0.242974 0.242974 F\n0.757026 0.757026 0.242974 F\n0.242974 0.757026 0.242974 F\n0.757026 0.242974 0.757026 F\n0.242974 0.242974 0.757026 F\n0.242974 0.757026 0.757026 F\n0.750000 0.750000 0.750000 F\n",
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"formula_full": "Li6 Cu1 F8",
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"energy": -73.72802529,
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},
{
"id": "mp-10177",
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"structure_string": "La1 Sb1\n1.0\n4.170496 0.000000 0.000000\n0.000000 4.170496 0.000000\n0.000000 0.000000 3.503707\nLa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sb\n",
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},
{
"id": "mp-761202",
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"structure_string": "Li6 Fe8 B8 O24\n1.0\n9.005772 0.000000 0.000000\n0.000000 5.266693 0.000000\n0.000000 0.325784 10.267240\nLi Fe B O\n6 8 8 24\ndirect\n0.988461 0.656717 0.836953 Li\n0.994651 0.336675 0.083227 Li\n0.504498 0.850661 0.579337 Li\n0.495502 0.850661 0.079337 Li\n0.011539 0.656717 0.336953 Li\n0.005349 0.336675 0.583227 Li\n0.836750 0.837716 0.113389 Fe\n0.820990 0.152228 0.361547 Fe\n0.651807 0.664605 0.868158 Fe\n0.668077 0.336470 0.627441 Fe\n0.348193 0.664605 0.368158 Fe\n0.163250 0.837716 0.613389 Fe\n0.331923 0.336470 0.127441 Fe\n0.179010 0.152228 0.861547 Fe\n0.828520 0.830768 0.627651 B\n0.678124 0.667631 0.381651 B\n0.839903 0.168190 0.868886 B\n0.662013 0.343199 0.118343 B\n0.321876 0.667631 0.881651 B\n0.337987 0.343199 0.618343 B\n0.171480 0.830768 0.127651 B\n0.160097 0.168190 0.368886 B\n0.957926 0.690521 0.635416 O\n0.834489 0.907883 0.900241 O\n0.968412 0.304574 0.889484 O\n0.807701 0.778262 0.329296 O\n0.691688 0.712282 0.653429 O\n0.796772 0.223884 0.150334 O\n0.830932 0.088226 0.594355 O\n0.660687 0.599151 0.081186 O\n0.549359 0.801368 0.385776 O\n0.689153 0.421022 0.435078 O\n0.714905 0.296354 0.818923 O\n0.450641 0.801368 0.885776 O\n0.530860 0.206926 0.123574 O\n0.308312 0.712282 0.153429 O\n0.339313 0.599151 0.581186 O\n0.469140 0.206926 0.623574 O\n0.310847 0.421022 0.935078 O\n0.165511 0.907883 0.400241 O\n0.192299 0.778262 0.829296 O\n0.285095 0.296354 0.318923 O\n0.203228 0.223884 0.650334 O\n0.042074 0.690521 0.135416 O\n0.169068 0.088226 0.094355 O\n0.031588 0.304574 0.389484 O\n",
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],
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"formula_full": "Li6 Fe8 B8 O24",
"formula_reduced": "Li3Fe4(BO3)4",
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},
{
"id": "mp-766793",
"created_at": "2022-09-04T14:41:21.956696Z",
"structure_string": "Li5 Co5 Ni2 O12\n1.0\n5.004313 0.000000 0.000000\n-2.451596 4.367559 0.000000\n-0.814883 -1.365861 9.482894\nLi Co Ni O\n5 5 2 12\ndirect\n0.827952 0.668475 0.496418 Li\n0.676028 0.844295 0.002826 Li\n0.331439 0.170831 0.002194 Li\n0.155220 0.323151 0.496211 Li\n0.087030 0.914731 0.252404 Li\n0.912824 0.088752 0.751549 Co\n0.578221 0.423340 0.751767 Co\n0.483185 0.994321 0.495133 Co\n0.002175 0.515828 0.008333 Co\n0.421386 0.580556 0.248552 Co\n0.758677 0.250946 0.251205 Ni\n0.244802 0.754748 0.749268 Ni\n0.848259 0.359714 0.637460 O\n0.706740 0.518722 0.128079 O\n0.931904 0.782488 0.866775 O\n0.642724 0.153378 0.867354 O\n0.483779 0.301168 0.362627 O\n0.766524 0.944642 0.358448 O\n0.214456 0.073608 0.639295 O\n0.563482 0.726426 0.639438 O\n0.369476 0.837701 0.122066 O\n0.049928 0.233269 0.135648 O\n0.267918 0.439535 0.865683 O\n0.156045 0.619209 0.371269 O\n",
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{
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"structure_string": "Hf2 Co4\n1.0\n0.000000 3.439957 3.439957\n3.439957 0.000000 3.439957\n3.439957 3.439957 0.000000\nHf Co\n2 4\ndirect\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Hf\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n",
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{
"id": "mp-1245140",
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"structure_string": "Ti75 O25\n1.0\n10.819414 0.095097 -0.385727\n0.097156 12.239377 0.357694\n-0.383829 0.404864 10.809483\nTi O\n75 25\ndirect\n0.530965 -0.001053 0.529457 Ti\n0.067782 0.118060 0.652939 Ti\n0.835457 0.512464 0.550731 Ti\n0.705692 0.803490 0.868808 Ti\n0.596639 0.459595 0.654966 Ti\n0.847607 0.463675 0.106587 Ti\n0.478990 0.797022 0.406869 Ti\n0.681077 0.203163 0.850791 Ti\n0.450217 0.790207 0.653650 Ti\n0.410427 0.853325 0.908712 Ti\n0.058630 0.604661 0.752887 Ti\n0.940875 0.722502 0.541818 Ti\n0.316525 -0.002368 0.667124 Ti\n0.279157 0.294789 0.224493 Ti\n0.040256 0.427135 0.942763 Ti\n0.905399 0.381372 0.353447 Ti\n0.886909 0.614218 0.307055 Ti\n0.060406 0.056736 0.084149 Ti\n0.527668 0.460796 0.163635 Ti\n0.128427 0.295861 0.437123 Ti\n0.216490 0.726651 0.489930 Ti\n0.820918 0.388345 0.797561 Ti\n0.314356 0.568169 0.284828 Ti\n0.764297 0.850711 0.329002 Ti\n0.975813 0.204466 0.836857 Ti\n0.209292 0.795840 0.741195 Ti\n0.091586 0.455121 0.214654 Ti\n0.678863 0.698778 0.574233 Ti\n0.931463 0.816344 0.762061 Ti\n0.278851 0.243635 0.669596 Ti\n0.371515 0.388602 0.479959 Ti\n0.780704 0.910834 0.561014 Ti\n0.048994 0.385194 0.675254 Ti\n0.603314 0.395487 0.944215 Ti\n0.870870 0.836047 0.111802 Ti\n0.841843 0.011551 0.926461 Ti\n0.268719 0.832714 0.204480 Ti\n0.608809 0.064289 0.032385 Ti\n0.800824 0.094364 0.674772 Ti\n0.669597 0.425173 0.387862 Ti\n0.458829 0.701364 0.141549 Ti\n0.866104 0.256632 0.011779 Ti\n0.707788 0.121543 0.415298 Ti\n0.518702 0.004422 0.269783 Ti\n0.816303 0.290995 0.566139 Ti\n0.294959 0.925941 0.430478 Ti\n0.585400 0.007115 0.785934 Ti\n0.419148 0.174208 0.874168 Ti\n0.802717 0.614863 0.780502 Ti\n0.206332 0.022386 0.880015 Ti\n0.148311 0.089181 0.393377 Ti\n0.362670 0.152119 0.441384 Ti\n0.936770 0.669636 0.974175 Ti\n0.117254 0.845064 0.000173 Ti\n0.565150 0.228533 0.615456 Ti\n0.539674 0.625325 0.845103 Ti\n0.057116 0.921204 0.554322 Ti\n0.629764 0.852559 0.095318 Ti\n0.090849 0.689958 0.241723 Ti\n0.692692 0.633023 0.071392 Ti\n0.192473 0.231363 -0.029854 Ti\n0.920748 0.100589 0.436256 Ti\n0.718429 0.283865 0.188699 Ti\n0.208973 0.628555 0.031742 Ti\n0.009738 0.235045 0.212395 Ti\n0.642855 0.648112 0.326835 Ti\n0.816517 0.052944 0.193158 Ti\n0.033015 0.907307 0.305481 Ti\n0.304908 0.067358 0.136513 Ti\n0.483524 0.240251 0.098927 Ti\n0.314298 0.569150 0.701383 Ti\n0.342453 0.413640 0.963385 Ti\n0.529866 0.259678 0.350957 Ti\n0.131335 0.518603 0.468151 Ti\n0.453358 0.599319 0.494097 Ti\n0.234160 0.422168 0.342533 O\n0.641911 0.552608 0.497885 O\n0.674788 0.500417 0.821237 O\n0.139135 0.962263 0.716344 O\n0.768814 0.935339 0.757077 O\n0.406849 0.166387 0.254252 O\n0.051124 0.660831 0.423092 O\n0.214558 0.389139 0.585284 O\n0.096575 0.721072 0.875746 O\n0.577454 0.819817 0.262375 O\n0.404506 0.012759 0.848041 O\n0.192266 0.379351 0.065280 O\n0.599842 0.848783 0.565249 O\n0.996735 0.070873 0.260851 O\n0.367908 0.708968 0.801491 O\n0.029731 0.545569 0.064970 O\n0.302143 0.769135 0.034637 O\n0.915793 0.844214 0.939972 O\n0.300077 0.303535 0.838744 O\n0.641258 0.132230 0.211857 O\n0.368848 0.551274 0.098043 O\n0.429161 0.122369 0.628548 O\n0.560516 0.738479 0.973840 O\n0.924691 0.777784 0.279568 O\n0.439199 0.487748 0.831317 O\n",
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{
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"structure_string": "Tl8 H8 O8\n1.0\n3.192614 3.084048 0.000000\n-3.192614 3.084048 0.000000\n0.000000 0.855055 21.770577\nTl H O\n8 8 8\ndirect\n0.087411 0.416457 0.945729 Tl\n0.583543 0.912589 0.054271 Tl\n0.618428 0.905841 0.548347 Tl\n0.094159 0.381572 0.451653 Tl\n0.073966 0.898026 0.802542 Tl\n0.101974 0.926034 0.197458 Tl\n0.599637 0.415193 0.693305 Tl\n0.584807 0.400363 0.306695 Tl\n0.103176 0.959490 0.659744 H\n0.040510 0.896824 0.340256 H\n0.549463 0.397635 0.834305 H\n0.602365 0.450537 0.165695 H\n0.117455 0.461964 0.599462 H\n0.538036 0.882545 0.400538 H\n0.566988 0.921032 0.911008 H\n0.078968 0.433012 0.088992 H\n0.126350 0.094653 0.693870 O\n0.905347 0.873650 0.306130 O\n0.407987 0.378416 0.801148 O\n0.621584 0.592013 0.198852 O\n0.139817 0.593728 0.562786 O\n0.406272 0.860183 0.437214 O\n0.416603 0.895049 0.944251 O\n0.104951 0.583397 0.055749 O\n",
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}