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{
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"structure_string": "Sr2 Ti2 Cu8 P8 O34\n1.0\n9.640853 0.000000 0.000000\n0.000000 9.640853 0.000000\n0.000000 0.000000 7.129101\nSr Ti Cu P O\n2 2 8 8 34\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.981209 Ti\n0.500000 0.000000 0.018791 Ti\n0.766358 0.519522 0.401848 Cu\n0.233642 0.480478 0.401848 Cu\n0.733642 0.019522 0.598152 Cu\n0.266358 0.980478 0.598152 Cu\n0.519522 0.766358 0.598152 Cu\n0.480478 0.233642 0.598152 Cu\n0.019522 0.733642 0.401848 Cu\n0.980478 0.266358 0.401848 Cu\n0.773441 0.315620 0.741965 P\n0.226559 0.684380 0.741965 P\n0.726559 0.815620 0.258035 P\n0.273441 0.184380 0.258035 P\n0.315620 0.773441 0.258035 P\n0.684380 0.226559 0.258035 P\n0.815620 0.726559 0.741965 P\n0.184380 0.273441 0.741965 P\n0.842184 0.368758 0.553879 O\n0.157816 0.631242 0.553879 O\n0.657816 0.868758 0.446121 O\n0.342184 0.131242 0.446121 O\n0.368758 0.842184 0.446121 O\n0.631242 0.157816 0.446121 O\n0.868758 0.657816 0.553879 O\n0.131242 0.342184 0.553879 O\n0.615415 0.345711 0.737291 O\n0.384585 0.654289 0.737291 O\n0.884585 0.845711 0.262709 O\n0.115415 0.154289 0.262709 O\n0.345711 0.615415 0.262709 O\n0.654289 0.384585 0.262709 O\n0.845711 0.884585 0.737291 O\n0.154289 0.115415 0.737291 O\n0.829151 0.401192 0.907849 O\n0.170849 0.598808 0.907849 O\n0.670849 0.901192 0.092151 O\n0.329151 0.098808 0.092151 O\n0.401192 0.829151 0.092151 O\n0.598808 0.170849 0.092151 O\n0.901192 0.670849 0.907849 O\n0.098808 0.329151 0.907849 O\n0.000000 0.500000 0.220470 O\n0.500000 0.000000 0.779530 O\n0.813213 0.161147 0.762917 O\n0.186787 0.838853 0.762917 O\n0.686787 0.661147 0.237083 O\n0.313213 0.338853 0.237083 O\n0.161147 0.813213 0.237083 O\n0.838853 0.186787 0.237083 O\n0.661147 0.686787 0.762917 O\n0.338853 0.313213 0.762917 O\n",
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{
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"structure_string": "Na8 Co4 C4 S4 O28\n1.0\n0.150369 6.750946 5.267944\n0.150971 -6.754157 5.269108\n9.066822 -0.000477 0.030235\nNa Co C S O\n8 4 4 4 28\ndirect\n0.366894 0.864754 0.213836 Na\n0.866872 0.364206 0.212727 Na\n0.614907 0.618171 0.213158 Na\n0.114690 0.117600 0.213679 Na\n0.632575 0.134278 0.785242 Na\n0.131904 0.635898 0.787594 Na\n0.386002 0.382651 0.787709 Na\n0.884628 0.883155 0.785403 Na\n0.262498 0.512344 0.355085 Co\n0.738826 0.486287 0.644392 Co\n0.762723 0.011628 0.355503 Co\n0.237461 0.988121 0.644799 Co\n0.737726 0.988089 0.083460 C\n0.237854 0.488019 0.083217 C\n0.261901 0.011991 0.916774 C\n0.761714 0.511939 0.916541 C\n0.484955 0.235683 0.421423 S\n0.985498 0.734770 0.420971 S\n0.515091 0.764792 0.579068 S\n0.015052 0.264917 0.578671 S\n0.276518 0.026488 0.054546 O\n0.776416 0.527136 0.054261 O\n0.723112 0.973441 0.945745 O\n0.223175 0.473413 0.945425 O\n0.850015 0.098488 0.144425 O\n0.349443 0.599159 0.144021 O\n0.149851 0.901340 0.855822 O\n0.652618 0.398259 0.855996 O\n0.640479 0.892671 0.180480 O\n0.141313 0.391857 0.180141 O\n0.358884 0.107793 0.819894 O\n0.855955 0.610115 0.819376 O\n0.456295 0.706484 0.430694 O\n0.956337 0.205944 0.430526 O\n0.543271 0.294384 0.569834 O\n0.044179 0.793790 0.569131 O\n0.341988 0.093337 0.441811 O\n0.843680 0.591415 0.441662 O\n0.658185 0.907254 0.558612 O\n0.157341 0.407749 0.558153 O\n0.436418 0.365364 0.335959 O\n0.935705 0.864021 0.335929 O\n0.614818 0.186441 0.336967 O\n0.115487 0.686606 0.335744 O\n0.385604 0.814261 0.664081 O\n0.885013 0.313125 0.663910 O\n0.563836 0.634901 0.663738 O\n0.064293 0.135479 0.663867 O\n",
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{
"id": "mp-1234752",
"created_at": "2022-09-04T14:47:22.280811Z",
"structure_string": "Ba10 Mg1 As6 Cl2 O24\n1.0\n11.043774 -0.282872 0.000000\n-5.771266 9.725564 0.000000\n0.000000 0.000000 7.817855\nBa Mg As Cl O\n10 1 6 2 24\ndirect\n0.665407 0.337859 0.498965 Ba\n0.350693 0.637531 0.483442 Ba\n0.994821 0.260014 0.250000 Ba\n0.350693 0.637531 0.016558 Ba\n0.760022 0.744661 0.250000 Ba\n0.256643 0.987076 0.250000 Ba\n0.700285 0.971601 0.750000 Ba\n0.952620 0.751278 0.750000 Ba\n0.665407 0.337859 0.001035 Ba\n0.238286 0.234908 0.750000 Ba\n0.258178 0.787494 0.750000 Mg\n0.978646 0.601782 0.250000 As\n0.595452 0.612618 0.750000 As\n0.431844 0.043038 0.750000 As\n0.401119 0.351976 0.250000 As\n0.023929 0.420647 0.750000 As\n0.627417 0.030247 0.250000 As\n0.990769 0.002157 0.000890 Cl\n0.990769 0.002157 0.499110 Cl\n0.648606 0.718986 0.928680 O\n0.319022 0.446174 0.250000 O\n0.356119 0.247990 0.427680 O\n0.412888 0.503744 0.750000 O\n0.091565 0.385155 0.571995 O\n0.685703 0.526035 0.750000 O\n0.840928 0.336172 0.750000 O\n0.092008 0.601304 0.750000 O\n0.586877 0.464018 0.250000 O\n0.736463 0.090285 0.071477 O\n0.091565 0.385155 0.928005 O\n0.880071 0.420528 0.250000 O\n0.428605 0.782326 0.750000 O\n0.923366 0.656532 0.075472 O\n0.923366 0.656532 0.424528 O\n0.460470 0.210863 0.750000 O\n0.356119 0.247990 0.072320 O\n0.736463 0.090285 0.428523 O\n0.159920 0.669803 0.250000 O\n0.297066 0.939353 0.915183 O\n0.520494 0.849493 0.250000 O\n0.297066 0.939353 0.584817 O\n0.648606 0.718986 0.571320 O\n0.536145 0.116755 0.250000 O\n",
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"formula_full": "Ba10 Mg1 As6 Cl2 O24",
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{
"id": "mp-1229139",
"created_at": "2022-09-04T14:47:22.102119Z",
"structure_string": "Ba10 Ca5 Cu10 Hg5 O31\n1.0\n8.625036 0.000000 0.000000\n-0.001076 8.626867 0.000000\n-3.442201 -1.719311 12.851397\nBa Ca Cu Hg O\n10 5 10 5 31\ndirect\n0.416286 0.458191 0.790894 Ba\n0.609839 0.056144 0.778569 Ba\n0.011791 0.257304 0.778491 Ba\n0.213003 0.855361 0.778490 Ba\n0.811075 0.654042 0.778421 Ba\n0.188925 0.345958 0.221579 Ba\n0.390161 0.943856 0.221431 Ba\n0.786997 0.144639 0.221510 Ba\n0.988209 0.742696 0.221509 Ba\n0.583714 0.541809 0.209106 Ba\n0.300340 0.400510 0.501552 Ca\n0.500000 0.000000 0.500000 Ca\n0.899659 0.199906 0.500016 Ca\n0.100341 0.800094 0.499984 Ca\n0.699660 0.599490 0.498448 Ca\n0.448587 0.723062 0.621459 Cu\n0.647609 0.324572 0.621370 Cu\n0.049496 0.524120 0.621296 Cu\n0.248807 0.125499 0.621470 Cu\n0.848260 0.924177 0.620694 Cu\n0.352391 0.675428 0.378630 Cu\n0.551413 0.276938 0.378541 Cu\n0.950504 0.475880 0.378704 Cu\n0.151740 0.075823 0.379306 Cu\n0.751193 0.874501 0.378530 Cu\n0.210010 0.596800 0.000024 Hg\n0.403176 0.210017 0.000026 Hg\n0.789990 0.403200 0.999976 Hg\n0.000000 0.000000 0.000000 Hg\n0.596824 0.789983 0.999974 Hg\n0.539018 0.773731 0.841749 O\n0.742075 0.366208 0.841752 O\n0.131344 0.570640 0.841768 O\n0.334513 0.163050 0.841770 O\n0.937858 0.968985 0.844543 O\n0.257925 0.633792 0.158248 O\n0.460982 0.226269 0.158251 O\n0.868656 0.429360 0.158232 O\n0.062142 0.031015 0.155457 O\n0.665487 0.836950 0.158230 O\n0.247928 0.626109 0.621523 O\n0.449644 0.222974 0.621465 O\n0.849002 0.424214 0.622210 O\n0.048848 0.024188 0.622389 O\n0.648768 0.824807 0.622448 O\n0.549969 0.525383 0.621451 O\n0.749220 0.124543 0.622353 O\n0.146975 0.323338 0.621482 O\n0.348855 0.924119 0.622023 O\n0.948631 0.724769 0.622318 O\n0.150998 0.575786 0.377790 O\n0.351232 0.175193 0.377552 O\n0.752072 0.373891 0.378477 O\n0.951152 0.975812 0.377611 O\n0.550356 0.777026 0.378535 O\n0.450031 0.474617 0.378549 O\n0.651145 0.075881 0.377977 O\n0.051369 0.275231 0.377682 O\n0.250780 0.875457 0.377647 O\n0.853025 0.676662 0.378518 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-581225",
"created_at": "2022-09-04T14:47:26.421684Z",
"structure_string": "K2 Li2 Nd4 Mo8 O32\n1.0\n6.527393 2.703871 0.000000\n-6.527393 2.703871 0.000000\n0.000000 1.180715 19.887211\nK Li Nd Mo O\n2 2 4 8 32\ndirect\n0.967931 0.032069 0.750000 K\n0.032069 0.967931 0.250000 K\n0.310326 0.689674 0.250000 Li\n0.689674 0.310326 0.750000 Li\n0.853823 0.147356 0.533477 Nd\n0.146177 0.852644 0.466523 Nd\n0.147356 0.853823 0.033477 Nd\n0.852644 0.146177 0.966523 Nd\n0.577647 0.452953 0.907494 Mo\n0.268642 0.758186 0.850909 Mo\n0.452953 0.577647 0.407494 Mo\n0.758186 0.268642 0.350909 Mo\n0.241814 0.731358 0.649091 Mo\n0.731358 0.241814 0.149091 Mo\n0.547047 0.422353 0.592506 Mo\n0.422353 0.547047 0.092506 Mo\n0.504260 0.692287 0.170887 O\n0.692287 0.504260 0.670887 O\n0.410359 0.931661 0.931522 O\n0.766888 0.678143 0.398702 O\n0.061629 0.472458 0.713605 O\n0.233112 0.321857 0.601298 O\n0.261080 0.221127 0.959911 O\n0.819607 0.486716 0.957028 O\n0.513284 0.180393 0.542972 O\n0.256744 0.980575 0.672636 O\n0.527542 0.938371 0.786395 O\n0.495740 0.307713 0.829113 O\n0.931661 0.410359 0.431522 O\n0.743256 0.019425 0.327364 O\n0.472458 0.061629 0.213605 O\n0.738920 0.778873 0.040089 O\n0.019425 0.743256 0.827364 O\n0.585279 0.895354 0.633954 O\n0.778873 0.738920 0.540089 O\n0.414721 0.104646 0.366046 O\n0.678143 0.766888 0.898702 O\n0.589641 0.068339 0.068478 O\n0.307713 0.495740 0.329113 O\n0.104646 0.414721 0.866046 O\n0.980575 0.256744 0.172636 O\n0.938371 0.527542 0.286395 O\n0.068339 0.589641 0.568478 O\n0.895354 0.585279 0.133954 O\n0.321857 0.233112 0.101298 O\n0.221127 0.261080 0.459911 O\n0.486716 0.819607 0.457028 O\n0.180393 0.513284 0.042972 O\n",
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"formula_full": "K2 Li2 Nd4 Mo8 O32",
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{
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.697234 -2.939695 0.000000\n1.697234 2.939695 0.000000\n0.000000 0.000000 40.225524\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333333 0.666667 0.329619 Te\n0.666667 0.333333 0.045673 Te\n0.666667 0.333333 0.138894 Te\n0.333333 0.666667 0.236427 Te\n0.333333 0.666667 0.092266 Mo\n0.666667 0.333333 0.283012 Mo\n0.333333 0.666667 0.470162 W\n0.666667 0.333333 0.657480 W\n0.666667 0.333333 0.428971 Se\n0.666667 0.333333 0.511293 Se\n0.333333 0.666667 0.694980 S\n0.333333 0.666667 0.619973 S\n",
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{
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"structure_string": "Ba2 Al2 Si8 N10 O6\n1.0\n2.834249 -6.915396 0.000000\n2.834249 6.915396 0.000000\n0.000000 0.000000 9.456745\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974777 0.025223 0.987623 Ba\n0.025223 0.974777 0.487623 Ba\n0.471292 0.528708 0.757540 Al\n0.528708 0.471292 0.257540 Al\n0.298374 0.701626 0.987503 Si\n0.701626 0.298374 0.487503 Si\n0.423542 0.079072 0.767502 Si\n0.920928 0.576458 0.767502 Si\n0.576458 0.920928 0.267502 Si\n0.079072 0.423542 0.267502 Si\n0.288863 0.711137 0.545979 Si\n0.711137 0.288863 0.045979 Si\n0.408583 0.591417 0.921332 N\n0.591417 0.408583 0.421332 N\n0.200728 0.799272 0.863389 N\n0.799272 0.200728 0.363389 N\n0.709179 0.290821 0.860299 N\n0.290821 0.709179 0.360299 N\n0.472346 0.025428 0.598947 N\n0.974572 0.527654 0.598947 N\n0.527654 0.974572 0.098947 N\n0.025428 0.472346 0.098947 N\n0.305350 0.199243 0.748155 O\n0.800757 0.694650 0.748155 O\n0.694650 0.800757 0.248155 O\n0.199243 0.305350 0.248155 O\n0.399489 0.600511 0.603327 O\n0.600511 0.399489 0.103327 O\n",
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