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{
"id": "mp-777766",
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"structure_string": "Li24 Nb8 H8 O16 F56\n1.0\n6.563820 0.000000 0.000000\n0.000000 13.001900 0.000000\n0.000000 0.000000 14.251845\nLi Nb H O F\n24 8 8 16 56\ndirect\n0.202779 0.345364 0.266915 Li\n0.202779 0.845364 0.733085 Li\n0.231315 0.366543 0.995881 Li\n0.231315 0.866543 0.004119 Li\n0.230844 0.562698 0.119176 Li\n0.230844 0.062698 0.880824 Li\n0.269156 0.062698 0.380824 Li\n0.269156 0.562698 0.619176 Li\n0.268685 0.366543 0.495881 Li\n0.268685 0.866543 0.504119 Li\n0.297221 0.845364 0.233085 Li\n0.297221 0.345364 0.766915 Li\n0.702779 0.654636 0.233085 Li\n0.702779 0.154636 0.766915 Li\n0.731315 0.133457 0.495881 Li\n0.731315 0.633457 0.504119 Li\n0.730844 0.437302 0.380824 Li\n0.730844 0.937302 0.619176 Li\n0.769156 0.437302 0.880824 Li\n0.769156 0.937302 0.119176 Li\n0.768685 0.133457 0.995881 Li\n0.768685 0.633457 0.004119 Li\n0.797221 0.154636 0.266915 Li\n0.797221 0.654636 0.733085 Li\n0.241773 0.608813 0.368458 Nb\n0.241773 0.108813 0.631542 Nb\n0.258227 0.108813 0.131542 Nb\n0.258227 0.608813 0.868458 Nb\n0.741773 0.391187 0.131542 Nb\n0.741773 0.891187 0.868458 Nb\n0.758227 0.891187 0.368458 Nb\n0.758227 0.391187 0.631542 Nb\n0.000000 0.250000 0.401360 H\n0.000000 0.750000 0.116470 H\n0.000000 0.250000 0.883530 H\n0.000000 0.750000 0.598640 H\n0.500000 0.750000 0.616470 H\n0.500000 0.750000 0.098640 H\n0.500000 0.250000 0.901360 H\n0.500000 0.250000 0.383530 H\n0.029038 0.353271 0.676784 O\n0.029038 0.853271 0.323216 O\n0.043664 0.426153 0.598834 O\n0.043664 0.926153 0.401166 O\n0.456336 0.426153 0.098834 O\n0.456336 0.926153 0.901166 O\n0.470962 0.353271 0.176784 O\n0.470962 0.853271 0.823216 O\n0.529038 0.146729 0.176784 O\n0.529038 0.646729 0.823216 O\n0.543664 0.073847 0.098834 O\n0.543664 0.573847 0.901166 O\n0.956336 0.573847 0.401166 O\n0.956336 0.073847 0.598834 O\n0.970962 0.646729 0.323216 O\n0.970962 0.146729 0.676784 O\n0.039343 0.336810 0.399800 F\n0.039343 0.836810 0.600200 F\n0.021834 0.838288 0.115623 F\n0.021834 0.338288 0.884377 F\n0.051563 0.407513 0.132290 F\n0.051563 0.907513 0.867710 F\n0.182140 0.198003 0.242144 F\n0.182140 0.698003 0.757856 F\n0.213231 0.017706 0.017431 F\n0.213231 0.517706 0.982569 F\n0.222293 0.225173 0.046286 F\n0.222293 0.725173 0.953714 F\n0.247087 0.993807 0.222503 F\n0.247087 0.493807 0.777497 F\n0.252913 0.493807 0.277497 F\n0.252913 0.993807 0.722503 F\n0.277707 0.725173 0.453714 F\n0.277707 0.225173 0.546286 F\n0.286769 0.017706 0.517431 F\n0.286769 0.517706 0.482569 F\n0.317860 0.698003 0.257856 F\n0.317860 0.198003 0.742144 F\n0.448437 0.407513 0.632290 F\n0.448437 0.907513 0.367710 F\n0.478166 0.838288 0.615623 F\n0.478166 0.338288 0.384377 F\n0.460657 0.836810 0.100200 F\n0.460657 0.336810 0.899800 F\n0.539343 0.663190 0.100200 F\n0.539343 0.163190 0.899800 F\n0.521834 0.661712 0.615623 F\n0.521834 0.161712 0.384377 F\n0.551563 0.092487 0.632290 F\n0.551563 0.592487 0.367710 F\n0.682140 0.801997 0.257856 F\n0.682140 0.301997 0.742144 F\n0.713231 0.982294 0.482569 F\n0.713231 0.482294 0.517431 F\n0.722293 0.774827 0.453714 F\n0.722293 0.274827 0.546286 F\n0.747087 0.506193 0.722503 F\n0.747087 0.006193 0.277497 F\n0.752913 0.506193 0.222503 F\n0.752913 0.006193 0.777497 F\n0.777707 0.274827 0.046286 F\n0.777707 0.774827 0.953714 F\n0.786769 0.482294 0.017431 F\n0.786769 0.982294 0.982569 F\n0.817860 0.301997 0.242144 F\n0.817860 0.801997 0.757856 F\n0.948437 0.092487 0.132290 F\n0.948437 0.592487 0.867710 F\n0.978166 0.661712 0.115623 F\n0.978166 0.161712 0.884377 F\n0.960657 0.163190 0.399800 F\n0.960657 0.663190 0.600200 F\n",
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],
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"formula_full": "Li24 Nb8 H8 O16 F56",
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},
{
"id": "mp-559366",
"created_at": "2022-09-04T14:45:38.322062Z",
"structure_string": "P6 Br6 N6 F6\n1.0\n5.287332 -6.465843 0.000000\n5.287332 6.465843 0.000000\n0.000000 0.000000 8.289664\nP Br N F\n6 6 6 6\ndirect\n0.334511 0.334511 0.244769 P\n0.310890 0.096845 0.010257 P\n0.096845 0.310890 0.010257 P\n0.665489 0.665489 0.744769 P\n0.903155 0.689110 0.510257 P\n0.689110 0.903155 0.510257 P\n0.261509 0.261509 0.490918 Br\n0.161598 0.757261 0.569415 Br\n0.738491 0.738491 0.990918 Br\n0.242739 0.838402 0.069415 Br\n0.757261 0.161598 0.569415 Br\n0.838402 0.242739 0.069415 Br\n0.803133 0.591441 0.655390 N\n0.161064 0.161064 0.932376 N\n0.838936 0.838936 0.432376 N\n0.591441 0.803133 0.655390 N\n0.408559 0.196867 0.155390 N\n0.196867 0.408559 0.155390 N\n0.089760 0.437879 0.872005 F\n0.910240 0.562121 0.372005 F\n0.519617 0.519617 0.780402 F\n0.562121 0.910240 0.372005 F\n0.437879 0.089760 0.872005 F\n0.480383 0.480383 0.280402 F\n",
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"formula_full": "P6 Br6 N6 F6",
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},
{
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"created_at": "2022-09-04T14:46:07.572450Z",
"structure_string": "Th2 N2 F2\n1.0\n6.930664 -2.008197 0.000000\n6.930664 2.008197 0.000000\n6.348778 0.000000 3.429281\nTh N F\n2 2 2\ndirect\n0.738063 0.738063 0.738063 Th\n0.261937 0.261937 0.261937 Th\n0.622946 0.622946 0.622946 N\n0.377054 0.377054 0.377054 N\n0.131138 0.131138 0.131138 F\n0.868862 0.868862 0.868862 F\n",
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},
{
"id": "mp-707200",
"created_at": "2022-09-04T14:46:10.081284Z",
"structure_string": "Na16 P16 H8 O52\n1.0\n6.346882 0.000000 0.000000\n0.000000 13.611749 0.000000\n0.000000 0.000000 13.806044\nNa P H O\n16 16 8 52\ndirect\n0.659974 0.787674 0.525398 Na\n0.159974 0.712326 0.474602 Na\n0.840026 0.212326 0.025398 Na\n0.340026 0.287674 0.974602 Na\n0.859107 0.790620 0.028022 Na\n0.359107 0.709380 0.971978 Na\n0.640893 0.209380 0.528022 Na\n0.140893 0.290620 0.471978 Na\n0.881695 0.995487 0.416013 Na\n0.381695 0.504513 0.583987 Na\n0.618305 0.004513 0.916013 Na\n0.118305 0.495487 0.083987 Na\n0.602338 0.801886 0.764551 Na\n0.102338 0.698114 0.235449 Na\n0.897662 0.198114 0.264551 Na\n0.397662 0.301886 0.735449 Na\n0.388195 0.107645 0.332281 P\n0.888195 0.392355 0.667719 P\n0.111805 0.892355 0.832281 P\n0.611805 0.607645 0.167719 P\n0.402507 0.889204 0.331495 P\n0.902507 0.610796 0.668505 P\n0.097493 0.110796 0.831495 P\n0.597493 0.389204 0.168505 P\n0.368033 0.890215 0.113741 P\n0.868033 0.609785 0.886259 P\n0.131967 0.109785 0.613741 P\n0.631967 0.390215 0.386259 P\n0.344397 0.110859 0.114514 P\n0.844397 0.389141 0.885486 P\n0.155603 0.889141 0.614514 P\n0.655603 0.610859 0.385486 P\n0.747755 0.982630 0.220129 H\n0.247755 0.517370 0.779871 H\n0.752245 0.017370 0.720129 H\n0.252245 0.482630 0.279871 H\n0.990601 0.971186 0.211334 H\n0.490601 0.528814 0.788666 H\n0.509399 0.028814 0.711334 H\n0.009399 0.471186 0.288666 H\n0.586805 0.114110 0.390468 O\n0.086805 0.385890 0.609532 O\n0.913195 0.885890 0.890468 O\n0.413195 0.614110 0.109532 O\n0.208810 0.176502 0.350338 O\n0.708810 0.323498 0.649662 O\n0.291190 0.823498 0.850338 O\n0.791190 0.676502 0.149662 O\n0.596345 0.886762 0.392698 O\n0.096345 0.613238 0.607302 O\n0.903655 0.113238 0.892698 O\n0.403655 0.386762 0.107302 O\n0.230884 0.815217 0.343129 O\n0.730884 0.684783 0.656871 O\n0.269116 0.184783 0.843129 O\n0.769116 0.315217 0.156871 O\n0.187296 0.818856 0.111570 O\n0.687296 0.681144 0.888430 O\n0.312704 0.181144 0.611570 O\n0.812704 0.318856 0.388430 O\n0.541316 0.881589 0.040376 O\n0.041316 0.618411 0.959624 O\n0.958684 0.118411 0.540376 O\n0.458684 0.381589 0.459624 O\n0.154091 0.175638 0.112681 O\n0.654091 0.324362 0.887319 O\n0.345909 0.824362 0.612681 O\n0.845909 0.675638 0.387319 O\n0.514375 0.124546 0.040137 O\n0.014375 0.375454 0.959863 O\n0.985625 0.875454 0.540137 O\n0.485625 0.624546 0.459863 O\n0.487208 0.890092 0.218677 O\n0.987208 0.609908 0.781323 O\n0.012792 0.109908 0.718677 O\n0.512792 0.390092 0.281323 O\n0.464225 0.113225 0.219264 O\n0.964225 0.386775 0.780736 O\n0.035775 0.886775 0.719264 O\n0.535775 0.613225 0.280736 O\n0.256582 0.997698 0.111440 O\n0.756582 0.502302 0.888560 O\n0.243418 0.002302 0.611440 O\n0.743418 0.497698 0.388560 O\n0.286759 0.996901 0.338989 O\n0.786759 0.503099 0.661011 O\n0.213241 0.003099 0.838989 O\n0.713241 0.496901 0.161011 O\n0.880774 0.013259 0.238520 O\n0.380774 0.486741 0.761480 O\n0.619226 0.986741 0.738520 O\n0.119226 0.513259 0.261480 O\n",
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"spacegroup": 19
},
{
"id": "mp-1180580",
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"structure_string": "Li1 H1 F2\n1.0\n1.534899 2.547496 0.000000\n-1.534899 2.547496 0.000000\n0.000000 2.526944 4.201520\nLi H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 H\n0.790197 0.790197 0.750702 F\n0.209803 0.209803 0.249298 F\n",
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{
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"created_at": "2022-09-04T14:46:06.442637Z",
"structure_string": "Ca4 Cr4 P8 O28\n1.0\n6.187920 -0.005719 0.189165\n2.389072 6.097246 0.877115\n-0.004967 0.107555 14.762461\nCa Cr P O\n4 4 8 28\ndirect\n0.296806 0.713245 0.317842 Ca\n0.296803 0.713253 0.817841 Ca\n0.703202 0.286744 0.182159 Ca\n0.703189 0.286753 0.682160 Ca\n0.267812 0.125202 0.585692 Cr\n0.732190 0.874797 0.914305 Cr\n0.267815 0.125209 0.085698 Cr\n0.732188 0.874801 0.414293 Cr\n0.164995 0.658280 0.058953 P\n0.165013 0.658282 0.558957 P\n0.835004 0.341722 0.441046 P\n0.834984 0.341723 0.941043 P\n0.235115 0.218941 0.310525 P\n0.235112 0.218918 0.810520 P\n0.764884 0.781059 0.189475 P\n0.764890 0.781083 0.689480 P\n0.075746 0.734993 0.458732 O\n0.075750 0.734993 0.958732 O\n0.924251 0.265009 0.041272 O\n0.924246 0.265013 0.541268 O\n0.253178 0.814649 0.098393 O\n0.253178 0.814638 0.598384 O\n0.746816 0.185347 0.401609 O\n0.746816 0.185356 0.901612 O\n0.336227 0.419438 0.072283 O\n0.336221 0.419452 0.572275 O\n0.663765 0.580566 0.427719 O\n0.663777 0.580549 0.927722 O\n0.638492 0.629072 0.226362 O\n0.638485 0.629059 0.726363 O\n0.361515 0.370932 0.273642 O\n0.361512 0.370932 0.773641 O\n0.098998 0.165255 0.238639 O\n0.099020 0.165258 0.738644 O\n0.900998 0.834740 0.261362 O\n0.900982 0.834744 0.761359 O\n0.061936 0.351287 0.383886 O\n0.061932 0.351288 0.883888 O\n0.938072 0.648708 0.116113 O\n0.938082 0.648702 0.616109 O\n0.603634 0.999994 0.135641 O\n0.603647 0.999984 0.635644 O\n0.396367 0.000005 0.364359 O\n0.396362 0.000015 0.864358 O\n",
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},
{
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{
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{
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}