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{
"id": "mp-1220762",
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"structure_string": "Pr20 Ti16 Ga4 O68\n1.0\n5.538544 0.000000 0.000000\n0.000000 7.787568 0.000000\n0.000000 3.944339 31.831680\nPr Ti Ga O\n20 16 4 68\ndirect\n0.131585 0.142776 0.720571 Pr\n0.638444 0.854538 0.780409 Pr\n0.361556 0.854538 0.280409 Pr\n0.868415 0.142776 0.220571 Pr\n0.252228 0.303280 0.904108 Pr\n0.745035 0.700984 0.594833 Pr\n0.254965 0.700984 0.094833 Pr\n0.747772 0.303280 0.404108 Pr\n0.195024 0.641937 0.703001 Pr\n0.702355 0.358933 0.801766 Pr\n0.297645 0.358933 0.301766 Pr\n0.804976 0.641937 0.203001 Pr\n0.237421 0.781760 0.917106 Pr\n0.729626 0.212335 0.581752 Pr\n0.270374 0.212335 0.081752 Pr\n0.762579 0.781760 0.417106 Pr\n0.756756 0.742049 0.004807 Pr\n0.257221 0.260177 0.492446 Pr\n0.742779 0.260177 0.992446 Pr\n0.243244 0.742049 0.504807 Pr\n0.204377 0.084029 0.823305 Ti\n0.695925 0.919269 0.676336 Ti\n0.304075 0.919269 0.176336 Ti\n0.795623 0.084029 0.323305 Ti\n0.740573 0.046676 0.906387 Ti\n0.230945 0.951713 0.592828 Ti\n0.769055 0.951713 0.092828 Ti\n0.259427 0.046676 0.406387 Ti\n0.253144 0.002194 0.999055 Ti\n0.746856 0.002194 0.499055 Ti\n0.204235 0.596386 0.822585 Ti\n0.690165 0.405948 0.678645 Ti\n0.309835 0.405948 0.178645 Ti\n0.795765 0.596386 0.322585 Ti\n0.233329 0.455184 0.593425 Ti\n0.766671 0.455184 0.093425 Ti\n0.252239 0.499721 0.999707 Ga\n0.747761 0.499721 0.499707 Ga\n0.736529 0.545753 0.905988 Ga\n0.263471 0.545753 0.405988 Ga\n0.819099 0.284368 0.918610 O\n0.317155 0.712066 0.580302 O\n0.682845 0.712066 0.080302 O\n0.180901 0.284368 0.418610 O\n0.468580 0.487359 0.949054 O\n0.969509 0.512304 0.551563 O\n0.030491 0.512304 0.051563 O\n0.531420 0.487359 0.449054 O\n0.460464 0.063882 0.950369 O\n0.962964 0.938821 0.551101 O\n0.037036 0.938821 0.051101 O\n0.539536 0.063882 0.450369 O\n0.431870 0.916057 0.711329 O\n0.937064 0.080588 0.788919 O\n0.062936 0.080588 0.288919 O\n0.568130 0.916057 0.211329 O\n0.422281 0.131616 0.779442 O\n0.916715 0.871177 0.720091 O\n0.083285 0.871177 0.220091 O\n0.577719 0.131616 0.279442 O\n0.140477 0.331761 0.829127 O\n0.644786 0.664161 0.670778 O\n0.355214 0.664161 0.170778 O\n0.859523 0.331761 0.329127 O\n0.407239 0.370127 0.703876 O\n0.922670 0.630393 0.794465 O\n0.077330 0.630393 0.294465 O\n0.592761 0.370127 0.203876 O\n0.531583 0.026265 0.036017 O\n0.032896 0.978685 0.464950 O\n0.967104 0.978685 0.964950 O\n0.468417 0.026265 0.536017 O\n0.531420 0.440100 0.036290 O\n0.029293 0.557557 0.464398 O\n0.970707 0.557557 0.964398 O\n0.468580 0.440100 0.536290 O\n0.037325 0.870927 0.637019 O\n0.537700 0.124600 0.862938 O\n0.462300 0.124600 0.362938 O\n0.962675 0.870927 0.137019 O\n0.409263 0.593841 0.774139 O\n0.900959 0.403969 0.725147 O\n0.099041 0.403969 0.225147 O\n0.590737 0.593841 0.274139 O\n0.675282 0.798433 0.913148 O\n0.174849 0.205533 0.589987 O\n0.825151 0.205533 0.089987 O\n0.324718 0.798433 0.413148 O\n0.041282 0.493045 0.637854 O\n0.524950 0.507022 0.859922 O\n0.475050 0.507022 0.359922 O\n0.958718 0.493045 0.137854 O\n0.548043 0.422520 0.618972 O\n0.048791 0.580198 0.880230 O\n0.951209 0.580198 0.380230 O\n0.451957 0.422520 0.118972 O\n0.296601 0.834858 0.830577 O\n0.787350 0.165826 0.668860 O\n0.212650 0.165826 0.168860 O\n0.703399 0.834858 0.330577 O\n0.323803 0.755587 0.997830 O\n0.827512 0.245255 0.503630 O\n0.172488 0.245255 0.003630 O\n0.676197 0.755587 0.497830 O\n0.544997 0.960964 0.619141 O\n0.048899 0.034497 0.880861 O\n0.951101 0.034497 0.380861 O\n0.455003 0.960964 0.119141 O\n",
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"formula_full": "Pr20 Ti16 Ga4 O68",
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{
"id": "mp-759263",
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"structure_string": "Li6 Bi6 P8 O32\n1.0\n3.372969 8.993264 0.000000\n-3.372969 8.993264 0.000000\n0.000000 0.461975 10.977166\nLi Bi P O\n6 6 8 32\ndirect\n0.571486 0.740074 0.737969 Li\n0.740074 0.571486 0.237969 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.259926 0.428514 0.762031 Li\n0.428514 0.259926 0.262031 Li\n0.322782 0.955402 0.990792 Bi\n0.955402 0.322782 0.490792 Bi\n0.044598 0.677218 0.509208 Bi\n0.677218 0.044598 0.009208 Bi\n0.643716 0.356284 0.750000 Bi\n0.356284 0.643716 0.250000 Bi\n0.756291 0.376089 0.006305 P\n0.376089 0.756291 0.506305 P\n0.134386 0.248559 0.741851 P\n0.248559 0.134386 0.241851 P\n0.751441 0.865614 0.758149 P\n0.865614 0.751441 0.258149 P\n0.623911 0.243709 0.493695 P\n0.243709 0.623911 0.993695 P\n0.775395 0.206413 0.968588 O\n0.206413 0.775395 0.468588 O\n0.475740 0.656619 0.633829 O\n0.619402 0.555351 0.905611 O\n0.656619 0.475740 0.133829 O\n0.555351 0.619402 0.405611 O\n0.981266 0.269799 0.005538 O\n0.910626 0.351023 0.713775 O\n0.269799 0.981266 0.505538 O\n0.279782 0.013318 0.781641 O\n0.351023 0.910626 0.213775 O\n0.013318 0.279782 0.281641 O\n0.721125 0.805680 0.884453 O\n0.652779 0.855179 0.658061 O\n0.805680 0.721125 0.384453 O\n0.855179 0.652779 0.158061 O\n0.144821 0.347221 0.841939 O\n0.194320 0.278875 0.615547 O\n0.347221 0.144821 0.341939 O\n0.278875 0.194320 0.115547 O\n0.986682 0.720218 0.718359 O\n0.648977 0.089374 0.786225 O\n0.720218 0.986682 0.218359 O\n0.730201 0.018734 0.494462 O\n0.089374 0.648977 0.286225 O\n0.018734 0.730201 0.994462 O\n0.444649 0.380598 0.594389 O\n0.343381 0.524260 0.866171 O\n0.380598 0.444649 0.094389 O\n0.524260 0.343381 0.366171 O\n0.793587 0.224605 0.531412 O\n0.224605 0.793587 0.031412 O\n",
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"formula_full": "Li6 Bi6 P8 O32",
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},
{
"id": "mp-1225464",
"created_at": "2022-09-04T14:41:36.266495Z",
"structure_string": "H26 Se4 N6 O16\n1.0\n6.109845 0.000000 0.000000\n-3.035777 8.175529 0.000000\n-0.037604 -2.318388 10.392314\nH Se N O\n26 4 6 16\ndirect\n0.026911 0.475087 0.321174 H\n0.976595 0.529403 0.679841 H\n0.372697 0.362308 0.227414 H\n0.628296 0.641914 0.772548 H\n0.875682 0.062237 0.207945 H\n0.120669 0.920454 0.784171 H\n0.545057 0.534686 0.178920 H\n0.460903 0.468962 0.822000 H\n0.917386 0.631684 0.364816 H\n0.083524 0.371318 0.635869 H\n0.693345 0.073765 0.323699 H\n0.314933 0.921287 0.673811 H\n0.145613 0.655089 0.268993 H\n0.855574 0.348822 0.730565 H\n0.348375 0.376384 0.069993 H\n0.655077 0.628117 0.930899 H\n0.593050 0.354802 0.130740 H\n0.406241 0.646596 0.870027 H\n0.788962 0.909589 0.291645 H\n0.198822 0.076264 0.703714 H\n0.189114 0.653337 0.426523 H\n0.815316 0.351965 0.573476 H\n0.592353 0.920903 0.188148 H\n0.394138 0.071656 0.811966 H\n0.031852 0.999533 0.487539 H\n0.972489 0.999744 0.987634 H\n0.116533 0.779152 0.039040 Se\n0.884698 0.227952 0.959907 Se\n0.340493 0.227763 0.457383 Se\n0.668899 0.780754 0.541693 Se\n0.069429 0.602903 0.345400 N\n0.933258 0.401369 0.654956 N\n0.463681 0.406856 0.151776 N\n0.538836 0.596872 0.848933 N\n0.739582 0.992466 0.252535 N\n0.256032 0.997693 0.743803 N\n0.842693 0.679717 0.072000 O\n0.158614 0.318194 0.925954 O\n0.157032 0.708189 0.886062 O\n0.845434 0.288765 0.113551 O\n0.207292 0.299903 0.359813 O\n0.788118 0.700808 0.641284 O\n0.612500 0.247829 0.422812 O\n0.392390 0.758910 0.572840 O\n0.308178 0.758161 0.141042 O\n0.691261 0.246182 0.859088 O\n0.157085 0.985870 0.058294 O\n0.830974 0.012958 0.932986 O\n0.185461 0.012476 0.433655 O\n0.833048 0.986821 0.559486 O\n0.325678 0.305637 0.612051 O\n0.675826 0.689894 0.387586 O\n",
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{
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"structure_string": "La4 Nb4 N4 O10\n1.0\n5.392791 5.383331 0.000000\n-5.392791 5.383331 0.000000\n0.000000 5.374817 5.393739\nLa Nb N O\n4 4 4 10\ndirect\n0.374439 0.119767 0.255090 La\n0.373237 0.629487 0.747423 La\n0.370513 0.626763 0.252577 La\n0.880233 0.625561 0.744910 La\n0.868745 0.108976 0.763537 Nb\n0.862781 0.623807 0.255678 Nb\n0.376193 0.137219 0.744322 Nb\n0.891024 0.131255 0.236463 Nb\n0.809568 0.809506 0.995475 N\n0.556872 0.443128 0.500000 N\n0.248687 0.751313 0.500000 N\n0.190494 0.190432 0.004525 N\n0.195967 0.197899 0.602229 O\n0.801450 0.198550 0.000000 O\n0.202939 0.797061 0.000000 O\n0.802101 0.804033 0.397771 O\n0.501702 0.498298 0.000000 O\n0.950164 0.450995 0.499951 O\n0.554520 0.054270 0.892975 O\n0.943635 0.056365 0.500000 O\n0.945730 0.445480 0.107025 O\n0.549005 0.049836 0.500049 O\n",
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{
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"structure_string": "K2 Zr4 P6 O24\n1.0\n8.482619 -4.433104 0.000000\n8.482619 4.433104 0.000000\n6.165833 0.000000 7.320502\nK Zr P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.649545 0.649545 0.649545 Zr\n0.850455 0.850455 0.850455 Zr\n0.350455 0.350455 0.350455 Zr\n0.149545 0.149545 0.149545 Zr\n0.037024 0.462976 0.750000 P\n0.462976 0.750000 0.037024 P\n0.750000 0.037024 0.462976 P\n0.962976 0.537024 0.250000 P\n0.537024 0.250000 0.962976 P\n0.250000 0.962976 0.537024 P\n0.922030 0.070415 0.295043 O\n0.070415 0.295043 0.922030 O\n0.295043 0.922030 0.070415 O\n0.429585 0.577970 0.204957 O\n0.577970 0.204957 0.429585 O\n0.204957 0.429585 0.577970 O\n0.077970 0.929585 0.704957 O\n0.929585 0.704957 0.077970 O\n0.704957 0.077970 0.929585 O\n0.570415 0.422030 0.795043 O\n0.422030 0.795043 0.570415 O\n0.795043 0.570415 0.422030 O\n0.741535 0.867081 0.488668 O\n0.867081 0.488668 0.741535 O\n0.488668 0.741535 0.867081 O\n0.632919 0.758465 0.011332 O\n0.758465 0.011332 0.632919 O\n0.011332 0.632919 0.758465 O\n0.258465 0.132919 0.511332 O\n0.132919 0.511332 0.258465 O\n0.511332 0.258465 0.132919 O\n0.367081 0.241535 0.988668 O\n0.241535 0.988668 0.367081 O\n0.988668 0.367081 0.241535 O\n",
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{
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"structure_string": "Li6 Mn6 P8 O32\n1.0\n4.995887 0.000000 0.000000\n0.000000 8.625330 0.000000\n0.000000 7.079249 14.380313\nLi Mn P O\n6 6 8 32\ndirect\n0.000000 0.500000 0.500000 Li\n0.059277 0.193371 0.755648 Li\n0.559277 0.806629 0.744352 Li\n0.440723 0.193371 0.255648 Li\n0.500000 0.500000 0.000000 Li\n0.940723 0.806629 0.244352 Li\n0.010199 0.689910 0.623847 Mn\n0.500000 0.000000 0.500000 Mn\n0.510199 0.310090 0.876153 Mn\n0.000000 0.000000 0.000000 Mn\n0.489801 0.689910 0.123847 Mn\n0.989801 0.310090 0.376153 Mn\n0.496632 0.469580 0.651033 P\n0.996632 0.530420 0.848967 P\n0.997235 0.075966 0.596408 P\n0.497235 0.924034 0.903592 P\n0.502765 0.075966 0.096408 P\n0.002765 0.924034 0.403592 P\n0.003368 0.469580 0.151033 P\n0.503368 0.530420 0.348967 P\n0.408674 0.654313 0.640608 O\n0.931768 0.666363 0.744658 O\n0.339582 0.410896 0.590526 O\n0.806042 0.479057 0.637743 O\n0.949104 0.249156 0.508636 O\n0.306042 0.520943 0.862257 O\n0.839582 0.589104 0.909474 O\n0.431768 0.333637 0.755342 O\n0.289317 0.005514 0.599198 O\n0.908674 0.345687 0.859392 O\n0.812947 0.935345 0.581501 O\n0.921726 0.080702 0.685388 O\n0.550896 0.249156 0.008636 O\n0.421726 0.919298 0.814612 O\n0.312947 0.064655 0.918499 O\n0.789317 0.994486 0.900802 O\n0.210683 0.005514 0.099198 O\n0.687053 0.935345 0.081501 O\n0.578274 0.080702 0.185388 O\n0.449104 0.750844 0.991364 O\n0.078274 0.919298 0.314612 O\n0.187053 0.064655 0.418499 O\n0.091326 0.654313 0.140608 O\n0.710683 0.994486 0.400802 O\n0.568232 0.666363 0.244658 O\n0.160418 0.410896 0.090526 O\n0.693958 0.479057 0.137743 O\n0.050896 0.750844 0.491364 O\n0.193958 0.520943 0.362257 O\n0.660418 0.589104 0.409474 O\n0.068232 0.333637 0.255342 O\n0.591326 0.345687 0.359392 O\n",
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