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{
"id": "mp-545847",
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"structure_string": "Lu1 Bi2 Br1 O4\n1.0\n3.877089 0.000000 0.000000\n0.000000 3.877089 0.000000\n0.000000 0.000000 9.276291\nLu Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.732670 Bi\n0.500000 0.500000 0.267330 Bi\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.855526 O\n0.000000 0.500000 0.855526 O\n0.500000 0.000000 0.144474 O\n0.000000 0.500000 0.144474 O\n",
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{
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"structure_string": "Ba6 Yb6 Al13 Si11 N29 O13\n1.0\n6.351894 0.043373 0.022577\n-3.139148 5.365526 0.018799\n-0.027209 -0.157667 30.639498\nBa Yb Al Si N O\n6 6 13 11 29 13\ndirect\n0.343045 0.644552 0.039196 Ba\n0.310288 0.659286 0.708799 Ba\n0.327699 0.652907 0.393785 Ba\n0.673210 0.347880 0.553634 Ba\n0.674084 0.372915 0.877730 Ba\n0.690643 0.322101 0.217528 Ba\n0.388371 0.638157 0.272377 Yb\n0.395007 0.761420 0.922827 Yb\n0.336815 0.672676 0.568551 Yb\n0.688137 0.326244 0.104821 Yb\n0.667750 0.331410 0.445247 Yb\n0.661044 0.334646 0.766581 Yb\n0.138154 0.814056 0.809381 Al\n0.129782 0.802779 0.484879 Al\n0.003562 0.993230 0.067642 Al\n0.185323 0.325597 0.483383 Al\n0.314290 0.200694 0.642135 Al\n0.334944 0.170837 0.317637 Al\n0.339811 0.184123 0.975812 Al\n0.848551 0.668542 0.318077 Al\n0.877880 0.694661 0.642342 Al\n0.854881 0.686010 0.974957 Al\n0.824965 0.135115 0.315739 Al\n0.783924 0.125867 0.645107 Al\n0.829055 0.159532 0.978518 Al\n0.160421 0.797201 0.147459 Si\n0.037977 0.022727 0.231780 Si\n0.986034 0.986284 0.404867 Si\n0.980241 0.002327 0.565745 Si\n0.975536 0.996814 0.731711 Si\n0.991920 0.013038 0.892499 Si\n0.183074 0.347631 0.808545 Si\n0.219125 0.337387 0.147705 Si\n0.632097 0.867801 0.805642 Si\n0.657522 0.865459 0.480375 Si\n0.625478 0.832517 0.140844 Si\n0.053059 0.012402 0.174025 N\n0.252675 0.056113 0.918887 N\n0.284501 0.219964 0.259885 N\n0.237181 0.257239 0.584777 N\n0.550757 0.524894 0.653965 N\n0.521010 0.523332 0.971141 N\n0.528425 0.535090 0.157710 N\n0.495399 0.549898 0.816247 N\n0.516221 0.550629 0.487966 N\n0.741388 0.988105 0.425024 N\n0.729024 0.960648 0.091938 N\n0.723163 0.979338 0.753022 N\n0.462858 0.969746 0.158286 N\n0.462634 0.977472 0.493746 N\n0.463290 0.997844 0.820960 N\n0.025151 0.776028 0.918790 N\n0.823043 0.753952 0.259564 N\n0.040255 0.781633 0.587017 N\n0.047759 0.479796 0.157904 N\n0.006704 0.475069 0.814529 N\n0.006687 0.473665 0.491677 N\n0.808012 0.085588 0.919648 N\n0.772727 0.984817 0.258242 N\n0.725173 0.976383 0.589720 N\n0.994266 0.017274 0.834217 N\n0.017771 0.014944 0.006384 N\n0.006491 0.997149 0.345080 N\n0.969851 0.986896 0.505794 N\n0.002191 0.018021 0.674497 N\n0.052470 0.763233 0.095936 O\n0.994920 0.738186 0.421234 O\n0.009327 0.769197 0.752485 O\n0.981774 0.471564 0.313528 O\n0.948089 0.453296 0.654714 O\n0.950232 0.475046 0.995349 O\n0.247238 0.260015 0.095740 O\n0.240309 0.222491 0.424450 O\n0.216271 0.245949 0.756573 O\n0.503476 0.012077 0.325243 O\n0.477540 0.047202 0.658887 O\n0.507176 0.028822 0.990633 O\n0.532871 0.494574 0.331924 O\n",
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"elements": [
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"formula_full": "Ba6 Yb6 Al13 Si11 N29 O13",
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{
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"created_at": "2022-09-04T14:39:05.280043Z",
"structure_string": "Y1 Tm1 Zn2\n1.0\n0.000000 3.559302 3.559302\n3.559302 0.000000 3.559302\n3.559302 3.559302 0.000000\nY Tm Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "mp-1228374",
"created_at": "2022-09-04T14:39:05.273560Z",
"structure_string": "Al20 Fe4 Ni4\n1.0\n3.848867 -6.667565 0.000000\n3.848867 6.667565 0.000000\n0.000000 0.000000 7.667702\nAl Fe Ni\n20 4 4\ndirect\n0.609473 0.802146 0.310969 Al\n0.197854 0.390527 0.310969 Al\n0.192679 0.807321 0.314202 Al\n0.393528 0.196477 0.196847 Al\n0.803523 0.606472 0.196847 Al\n0.803855 0.196145 0.191630 Al\n0.393528 0.196477 0.803153 Al\n0.803523 0.606472 0.803153 Al\n0.803855 0.196145 0.808370 Al\n0.609473 0.802146 0.689031 Al\n0.197854 0.390527 0.689031 Al\n0.192679 0.807321 0.685798 Al\n0.000589 0.999411 0.253935 Al\n0.000589 0.999411 0.746065 Al\n0.940345 0.471882 0.500000 Al\n0.528118 0.059655 0.500000 Al\n0.532978 0.467022 0.500000 Al\n0.059913 0.529787 0.000000 Al\n0.470213 0.940087 0.000000 Al\n0.469789 0.530211 0.000000 Al\n0.332332 0.667668 0.500000 Fe\n0.665054 0.334946 0.000000 Fe\n0.254073 0.129158 0.500000 Fe\n0.870842 0.745927 0.500000 Fe\n0.873025 0.126975 0.500000 Ni\n0.748940 0.876225 0.000000 Ni\n0.123775 0.251060 0.000000 Ni\n0.127468 0.872532 0.000000 Ni\n",
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{
"id": "mp-699455",
"created_at": "2022-09-04T14:39:05.271750Z",
"structure_string": "Al6 P6 H18 C6 N2 O28\n1.0\n6.319435 6.580156 0.000000\n-6.319435 6.580156 0.000000\n0.000000 0.891977 8.735771\nAl P H C N O\n6 6 18 6 2 28\ndirect\n0.601742 0.562238 0.707547 Al\n0.562238 0.601742 0.207547 Al\n0.081744 0.815830 0.918589 Al\n0.815830 0.081744 0.418589 Al\n0.109760 0.326011 0.908343 Al\n0.326011 0.109760 0.408343 Al\n0.840318 0.561783 0.958179 P\n0.561783 0.840318 0.458179 P\n0.330226 0.578500 0.957421 P\n0.578500 0.330226 0.457421 P\n0.053789 0.080560 0.675923 P\n0.080560 0.053789 0.175923 P\n0.691673 0.923359 0.844845 H\n0.923359 0.691673 0.344845 H\n0.503724 0.877826 0.894987 H\n0.877826 0.503724 0.394987 H\n0.952176 0.401271 0.609290 H\n0.401271 0.952176 0.109290 H\n0.783326 0.144437 0.934441 H\n0.633120 0.271935 0.907609 H\n0.220467 0.686668 0.596448 H\n0.144437 0.783326 0.434441 H\n0.271935 0.633120 0.407609 H\n0.686668 0.220467 0.096448 H\n0.545252 0.032098 0.764762 H\n0.032098 0.545252 0.264762 H\n0.377570 0.328156 0.806865 H\n0.328156 0.377570 0.306865 H\n0.305577 0.200184 0.727466 H\n0.200184 0.305577 0.227466 H\n0.579213 0.967871 0.867924 C\n0.967871 0.579213 0.367924 C\n0.675612 0.181411 0.983485 C\n0.181411 0.675612 0.483485 C\n0.044210 0.474818 0.612344 C\n0.474818 0.044210 0.112344 C\n0.574803 0.060709 0.996319 N\n0.060709 0.574803 0.496319 N\n0.935428 0.697827 0.953785 O\n0.697827 0.935428 0.453785 O\n0.931487 0.419417 0.974842 O\n0.758781 0.569703 0.808295 O\n0.419417 0.931487 0.474842 O\n0.569703 0.758781 0.308295 O\n0.572423 0.724233 0.594991 O\n0.724233 0.572423 0.094991 O\n0.621620 0.409968 0.596122 O\n0.925026 0.094768 0.570769 O\n0.252253 0.718782 0.889877 O\n0.448081 0.521193 0.835855 O\n0.053350 0.921449 0.749870 O\n0.409968 0.621620 0.096122 O\n0.094768 0.925026 0.070769 O\n0.718782 0.252253 0.389877 O\n0.521193 0.448081 0.335855 O\n0.921449 0.053350 0.249870 O\n0.456389 0.224029 0.506270 O\n0.224029 0.456389 0.006270 O\n0.310111 0.246297 0.826147 O\n0.246297 0.310111 0.326147 O\n0.202881 0.109647 0.587885 O\n0.109647 0.202881 0.087885 O\n0.024777 0.190181 0.799453 O\n0.190181 0.024777 0.299453 O\n0.127457 0.462730 0.722787 O\n0.462730 0.127457 0.222787 O\n",
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{
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"structure_string": "Y1 Mg14 V1\n1.0\n6.454311 -0.000000 -0.000000\n-3.227155 5.589597 0.000000\n0.000000 0.000000 10.256335\nY Mg V\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.178161 0.839080 0.125000 Mg\n0.165715 0.832857 0.625000 Mg\n0.660920 0.321839 0.125000 Mg\n0.667143 0.334285 0.625000 Mg\n0.660920 0.839080 0.125000 Mg\n0.667143 0.832857 0.625000 Mg\n0.331712 0.168288 0.386071 Mg\n0.331712 0.168288 0.863929 Mg\n0.331712 0.663424 0.386071 Mg\n0.331712 0.663424 0.863929 Mg\n0.836576 0.168288 0.386071 Mg\n0.836576 0.168288 0.863929 Mg\n0.833333 0.666667 0.368446 Mg\n0.833333 0.666667 0.881554 Mg\n0.166667 0.333333 0.625000 V\n",
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{
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{
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{
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"structure_string": "Sm1 Ti1 Co11\n1.0\n0.000000 0.000000 4.680326\n-4.194690 4.166205 2.340163\n-4.194690 -4.166205 -2.340163\nSm Ti Co\n1 1 11\ndirect\n0.007012 0.992988 0.007012 Sm\n0.630641 0.369359 0.630641 Ti\n0.729963 0.770037 0.229963 Co\n0.276946 0.223054 0.776946 Co\n0.498515 0.778556 0.775585 Co\n0.498515 0.224415 0.221444 Co\n0.499633 0.994657 0.498376 Co\n0.004086 0.994657 0.498376 Co\n0.499633 0.501624 0.005343 Co\n0.004086 0.501624 0.005343 Co\n0.354378 0.645622 0.354378 Co\n0.998297 0.361461 0.358054 Co\n0.998297 0.641946 0.638539 Co\n",
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},
{
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"structure_string": "Li6 Mn8 P6 H24 O38\n1.0\n9.363221 -5.434797 0.000000\n9.363221 5.434797 0.000000\n6.208642 0.000000 8.869030\nLi Mn P H O\n6 8 6 24 38\ndirect\n0.674226 0.069586 0.937795 Li\n0.569586 0.174226 0.437795 Li\n0.937795 0.674226 0.069586 Li\n0.437795 0.569586 0.174226 Li\n0.174226 0.437795 0.569586 Li\n0.069586 0.937795 0.674226 Li\n0.978812 0.006754 0.305361 Mn\n0.805361 0.506754 0.478812 Mn\n0.506754 0.478812 0.805361 Mn\n0.998805 0.998805 0.998805 Mn\n0.498805 0.498805 0.498805 Mn\n0.006754 0.305361 0.978812 Mn\n0.478812 0.805361 0.506754 Mn\n0.305361 0.978812 0.006754 Mn\n0.838721 0.300781 0.806341 P\n0.800781 0.338721 0.306341 P\n0.338721 0.306341 0.800781 P\n0.806341 0.838721 0.300781 P\n0.300781 0.806341 0.838721 P\n0.306341 0.800781 0.338721 P\n0.758150 0.003831 0.690497 H\n0.806523 0.143221 0.624385 H\n0.461539 0.027229 0.223959 H\n0.643221 0.306523 0.124385 H\n0.961539 0.723959 0.527229 H\n0.503831 0.258150 0.190497 H\n0.306523 0.124385 0.643221 H\n0.886459 0.614720 0.674062 H\n0.386459 0.174062 0.114720 H\n0.723959 0.527229 0.961539 H\n0.258150 0.190497 0.503831 H\n0.174062 0.114720 0.386459 H\n0.614720 0.674062 0.886459 H\n0.690497 0.758150 0.003831 H\n0.027229 0.223959 0.461539 H\n0.674062 0.886459 0.614720 H\n0.114720 0.386459 0.174062 H\n0.624385 0.806523 0.143221 H\n0.223959 0.461539 0.027229 H\n0.190497 0.503831 0.258150 H\n0.527229 0.961539 0.723959 H\n0.143221 0.624385 0.806523 H\n0.124385 0.643221 0.306523 H\n0.003831 0.690497 0.758150 H\n0.963098 0.147530 0.798595 O\n0.817123 0.041944 0.701580 O\n0.786228 0.185647 0.346113 O\n0.927835 0.378572 0.154664 O\n0.843954 0.322111 0.434043 O\n0.822111 0.343954 0.934043 O\n0.878572 0.427835 0.654664 O\n0.685647 0.286228 0.846113 O\n0.466023 0.130074 0.157186 O\n0.966023 0.657186 0.630074 O\n0.378572 0.154664 0.927835 O\n0.541944 0.317123 0.201580 O\n0.846113 0.685647 0.286228 O\n0.647530 0.463098 0.298595 O\n0.463098 0.298595 0.647530 O\n0.934043 0.822111 0.343954 O\n0.317123 0.201580 0.541944 O\n0.657186 0.630074 0.966023 O\n0.075780 0.075780 0.075780 O\n0.575780 0.575780 0.575780 O\n0.130074 0.157186 0.466023 O\n0.701580 0.817123 0.041944 O\n0.322111 0.434043 0.843954 O\n0.798595 0.963098 0.147530 O\n0.185647 0.346113 0.786228 O\n0.427835 0.654664 0.878572 O\n0.654664 0.878572 0.427835 O\n0.157186 0.466023 0.130074 O\n0.630074 0.966023 0.657186 O\n0.298595 0.647530 0.463098 O\n0.201580 0.541944 0.317123 O\n0.434043 0.843954 0.322111 O\n0.346113 0.786228 0.185647 O\n0.286228 0.846113 0.685647 O\n0.343954 0.934043 0.822111 O\n0.041944 0.701580 0.817123 O\n0.147530 0.798595 0.963098 O\n0.154664 0.927835 0.378572 O\n",
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"elements": [
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],
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"formula_full": "Li6 Mn8 P6 H24 O38",
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},
{
"id": "mp-1246040",
"created_at": "2022-09-04T14:39:05.246838Z",
"structure_string": "Ga2 C12 N18\n1.0\n7.445499 0.808356 0.000000\n10.896168 7.455293 0.000000\n0.000000 0.000000 11.562959\nGa C N\n2 12 18\ndirect\n0.000000 0.280898 0.250000 Ga\n0.000000 0.719102 0.750000 Ga\n0.679552 0.783691 0.250000 C\n0.679552 0.536756 0.750000 C\n0.320448 0.216309 0.750000 C\n0.320448 0.463244 0.250000 C\n0.679438 0.304472 0.907186 C\n0.679438 0.016090 0.092814 C\n0.679438 0.304472 0.592814 C\n0.679438 0.016090 0.407186 C\n0.320562 0.695528 0.092814 C\n0.320562 0.983910 0.907186 C\n0.320562 0.695528 0.407186 C\n0.320562 0.983910 0.592814 C\n0.000000 0.576889 0.250000 N\n0.000000 0.423111 0.750000 N\n0.377122 0.972132 0.250000 N\n0.377122 0.650746 0.750000 N\n0.622878 0.027868 0.750000 N\n0.622878 0.349254 0.250000 N\n0.000000 0.125663 0.955687 N\n0.000000 0.874337 0.044313 N\n0.000000 0.125663 0.544313 N\n0.000000 0.874337 0.455687 N\n0.376481 0.470857 0.868618 N\n0.376481 0.152663 0.131382 N\n0.376481 0.470857 0.631382 N\n0.376481 0.152663 0.368618 N\n0.623519 0.529143 0.131382 N\n0.623519 0.847337 0.868618 N\n0.623519 0.529143 0.368618 N\n0.623519 0.847337 0.631382 N\n",
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],
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"formula_full": "Ga2 C12 N18",
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{
"id": "mp-774341",
"created_at": "2022-09-04T14:39:05.245234Z",
"structure_string": "Na40 Co8 H8 O32\n1.0\n9.984080 0.000000 0.000000\n0.000000 10.129832 0.000000\n0.000000 0.000000 11.916278\nNa Co H O\n40 8 8 32\ndirect\n0.986491 0.588895 0.212402 Na\n0.486491 0.911105 0.287598 Na\n0.013509 0.088895 0.787598 Na\n0.513509 0.411105 0.712402 Na\n0.013509 0.411105 0.787598 Na\n0.513509 0.088895 0.712402 Na\n0.986491 0.911105 0.212402 Na\n0.486491 0.588895 0.287598 Na\n0.073247 0.435104 0.411742 Na\n0.573247 0.064896 0.088258 Na\n0.926753 0.935104 0.588258 Na\n0.426753 0.564896 0.911742 Na\n0.926753 0.564896 0.588258 Na\n0.426753 0.935104 0.911742 Na\n0.073247 0.064896 0.411742 Na\n0.573247 0.435104 0.088258 Na\n0.079017 0.750000 0.441912 Na\n0.579017 0.750000 0.058088 Na\n0.920983 0.250000 0.558088 Na\n0.420983 0.250000 0.941912 Na\n0.631095 0.565035 0.511053 Na\n0.131095 0.934965 0.988947 Na\n0.368905 0.065035 0.488947 Na\n0.868905 0.434965 0.011053 Na\n0.368905 0.434965 0.488947 Na\n0.868905 0.065035 0.011053 Na\n0.631095 0.934965 0.511053 Na\n0.131095 0.565035 0.988947 Na\n0.780612 0.419386 0.323263 Na\n0.280612 0.080614 0.176737 Na\n0.219388 0.919386 0.676737 Na\n0.719388 0.580614 0.823263 Na\n0.219388 0.580614 0.676737 Na\n0.719388 0.919386 0.823263 Na\n0.780612 0.080614 0.323263 Na\n0.280612 0.419386 0.176737 Na\n0.116530 0.250000 0.981956 Na\n0.616530 0.250000 0.518044 Na\n0.883470 0.750000 0.018044 Na\n0.383470 0.750000 0.481956 Na\n0.011879 0.250000 0.210550 Co\n0.511879 0.250000 0.289450 Co\n0.988121 0.750000 0.789450 Co\n0.488121 0.750000 0.710550 Co\n0.789101 0.750000 0.382225 Co\n0.289101 0.750000 0.117775 Co\n0.210899 0.250000 0.617775 Co\n0.710899 0.250000 0.882225 Co\n0.757034 0.367827 0.696949 H\n0.257034 0.132173 0.803051 H\n0.242966 0.867827 0.303051 H\n0.742966 0.632173 0.196949 H\n0.242966 0.632173 0.303051 H\n0.742966 0.867827 0.196949 H\n0.757034 0.132173 0.696949 H\n0.257034 0.367827 0.803051 H\n0.899984 0.598561 0.395172 O\n0.399984 0.901439 0.104828 O\n0.100016 0.098561 0.604828 O\n0.600016 0.401439 0.895172 O\n0.100016 0.401439 0.604828 O\n0.600016 0.098561 0.895172 O\n0.899984 0.901439 0.395172 O\n0.399984 0.598561 0.104828 O\n0.059852 0.099459 0.124526 O\n0.559852 0.400541 0.375474 O\n0.940148 0.599459 0.875474 O\n0.440148 0.900541 0.624526 O\n0.940148 0.900541 0.875474 O\n0.440148 0.599459 0.624526 O\n0.059852 0.400541 0.124526 O\n0.559852 0.099459 0.375474 O\n0.606250 0.750000 0.381086 O\n0.106250 0.750000 0.118914 O\n0.393750 0.250000 0.618914 O\n0.893750 0.250000 0.881086 O\n0.940455 0.250000 0.352095 O\n0.440455 0.250000 0.147905 O\n0.059545 0.750000 0.647905 O\n0.559545 0.750000 0.852095 O\n0.747094 0.417355 0.627026 O\n0.247094 0.082645 0.872974 O\n0.252906 0.917355 0.372974 O\n0.752906 0.582645 0.127026 O\n0.252906 0.582645 0.372974 O\n0.752906 0.917355 0.127026 O\n0.747094 0.082645 0.627026 O\n0.247094 0.417355 0.872974 O\n",
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}
]
}