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{
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{
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{
"id": "mp-685509",
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"structure_string": "Ba25 Bi15 O54\n1.0\n3.225673 5.454032 0.000000\n-3.225673 5.454032 0.000000\n0.000000 4.546572 51.785881\nBa Bi O\n25 15 54\ndirect\n0.076763 0.076763 0.923469 Ba\n0.385441 0.385441 0.970862 Ba\n0.759159 0.759159 0.873971 Ba\n0.449383 0.449383 0.825907 Ba\n0.137082 0.137082 0.777082 Ba\n0.824291 0.824291 0.727619 Ba\n0.220533 0.220533 0.634386 Ba\n0.516546 0.516546 0.681477 Ba\n0.653840 0.653840 0.530523 Ba\n0.955413 0.955413 0.574268 Ba\n0.125404 0.125404 0.353600 Ba\n0.333768 0.333768 0.487779 Ba\n0.087932 0.087932 0.434632 Ba\n0.294831 0.294831 0.559759 Ba\n0.789340 0.789340 0.385204 Ba\n0.480401 0.480401 0.331680 Ba\n0.887847 0.887847 0.226607 Ba\n0.188638 0.188638 0.276132 Ba\n0.340186 0.340186 0.049091 Ba\n0.281730 0.281730 0.126749 Ba\n0.592917 0.592917 0.178294 Ba\n0.527676 0.527676 0.252456 Ba\n0.995789 0.995789 0.068012 Ba\n0.681472 0.681472 0.018369 Ba\n0.927808 0.927808 0.145546 Ba\n0.796407 0.796407 0.800622 Bi\n0.484071 0.484071 0.751670 Bi\n0.725563 0.725563 0.947921 Bi\n0.862976 0.862976 0.650253 Bi\n0.416930 0.416930 0.898923 Bi\n0.104173 0.104173 0.849976 Bi\n0.176341 0.176341 0.701984 Bi\n0.422161 0.422161 0.405280 Bi\n0.557887 0.557887 0.604564 Bi\n0.987680 0.987680 0.502441 Bi\n0.711422 0.711422 0.454716 Bi\n0.219179 0.219179 0.199999 Bi\n0.612287 0.612287 0.096986 Bi\n0.815493 0.815493 0.302219 Bi\n0.040108 0.040108 0.997058 Bi\n0.865823 0.865823 0.979590 O\n0.858122 0.352645 0.970248 O\n0.582298 0.582298 0.919342 O\n0.352645 0.858122 0.970248 O\n0.257581 0.745190 0.873586 O\n0.950407 0.456038 0.825130 O\n0.089269 0.567635 0.924780 O\n0.745190 0.257581 0.873586 O\n0.567635 0.089269 0.924780 O\n0.456038 0.950407 0.825130 O\n0.256293 0.256293 0.876689 O\n0.138447 0.650079 0.776164 O\n0.821828 0.338245 0.724942 O\n0.645801 0.645801 0.775328 O\n0.668673 0.668673 0.636242 O\n0.537917 0.047170 0.676749 O\n0.951725 0.951725 0.824296 O\n0.650079 0.138447 0.776164 O\n0.338245 0.821828 0.724942 O\n0.159313 0.674322 0.619694 O\n0.033750 0.033750 0.670666 O\n0.863720 0.404408 0.575812 O\n0.325390 0.325390 0.728097 O\n0.850060 0.355793 0.475553 O\n0.674322 0.159313 0.619694 O\n0.047170 0.537917 0.676749 O\n0.644758 0.118750 0.526202 O\n0.355793 0.850060 0.475553 O\n0.243121 0.713577 0.374157 O\n0.118750 0.644758 0.526202 O\n0.404408 0.863720 0.575812 O\n0.050464 0.537555 0.425599 O\n0.933687 0.933687 0.329913 O\n0.713577 0.243121 0.374157 O\n0.134722 0.134722 0.525593 O\n0.656307 0.102804 0.274440 O\n0.537555 0.050464 0.425599 O\n0.452639 0.906298 0.315685 O\n0.102804 0.656307 0.274440 O\n0.586903 0.586903 0.424400 O\n0.065910 0.542800 0.171440 O\n0.906298 0.452639 0.315685 O\n0.837417 0.318866 0.216904 O\n0.542800 0.065910 0.171440 O\n0.464323 0.923037 0.072320 O\n0.318866 0.837417 0.216904 O\n0.249187 0.690529 0.107975 O\n0.923037 0.464323 0.072320 O\n0.324942 0.324942 0.231837 O\n0.690529 0.249187 0.107975 O\n0.742978 0.214827 0.024895 O\n0.707662 0.707662 0.128982 O\n0.214827 0.742978 0.024895 O\n0.215931 0.215931 0.012194 O\n",
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"formula_full": "Ba25 Bi15 O54",
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{
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"structure_string": "Ni30 Sn3 P9\n1.0\n3.835837 -6.643865 0.000000\n3.835837 6.643865 0.000000\n0.000000 0.000000 9.610187\nNi Sn P\n30 3 9\ndirect\n0.000000 0.000000 0.619782 Ni\n0.000000 0.337845 0.500000 Ni\n0.662155 0.662155 0.500000 Ni\n0.662155 0.000000 0.500000 Ni\n0.000000 0.662155 0.500000 Ni\n0.337845 0.337845 0.500000 Ni\n0.189159 0.810841 0.072708 Ni\n0.189159 0.378317 0.072708 Ni\n0.621683 0.810841 0.072708 Ni\n0.378317 0.189159 0.927292 Ni\n0.337845 0.000000 0.500000 Ni\n0.810841 0.189159 0.927292 Ni\n0.137637 0.862363 0.800470 Ni\n0.137637 0.275275 0.800470 Ni\n0.724725 0.862363 0.800470 Ni\n0.275275 0.137637 0.199530 Ni\n0.862363 0.724725 0.199530 Ni\n0.862363 0.137637 0.199530 Ni\n0.490660 0.509340 0.240260 Ni\n0.490660 0.981319 0.240260 Ni\n0.018681 0.509340 0.240260 Ni\n0.981319 0.490660 0.759740 Ni\n0.509340 0.018681 0.759740 Ni\n0.509340 0.490660 0.759740 Ni\n0.666667 0.333333 0.096132 Ni\n0.333333 0.666667 0.903868 Ni\n0.666667 0.333333 0.615855 Ni\n0.333333 0.666667 0.384145 Ni\n0.810841 0.621683 0.927292 Ni\n0.000000 0.000000 0.380218 Ni\n0.666667 0.333333 0.360565 Sn\n0.333333 0.666667 0.639435 Sn\n0.000000 0.000000 0.000000 Sn\n0.835562 0.164438 0.690947 P\n0.835562 0.671124 0.690947 P\n0.328876 0.164438 0.690947 P\n0.164438 0.835562 0.309053 P\n0.500000 0.500000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.500000 0.000000 0.000000 P\n0.671124 0.835562 0.309053 P\n0.164438 0.328876 0.309053 P\n",
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{
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"structure_string": "Ce4 Mg4 B20 O40\n1.0\n7.678284 0.000000 0.000000\n0.000000 8.824406 0.000000\n0.000000 8.402509 9.553686\nCe Mg B O\n4 4 20 40\ndirect\n0.181584 0.948062 0.236861 Ce\n0.818416 0.051938 0.763139 Ce\n0.681584 0.051938 0.263139 Ce\n0.318416 0.948062 0.736861 Ce\n0.910144 0.517920 0.375638 Mg\n0.089856 0.482080 0.624362 Mg\n0.410144 0.482080 0.124362 Mg\n0.589856 0.517920 0.875638 Mg\n0.826739 0.907467 0.106720 B\n0.173261 0.092533 0.893280 B\n0.326739 0.092533 0.393280 B\n0.673261 0.907467 0.606720 B\n0.579780 0.650732 0.261465 B\n0.420220 0.349268 0.738535 B\n0.079780 0.349268 0.238535 B\n0.920220 0.650732 0.761465 B\n0.815090 0.483348 0.086798 B\n0.184910 0.516652 0.913202 B\n0.315090 0.516652 0.413202 B\n0.684910 0.483348 0.586798 B\n0.466241 0.725769 0.555661 B\n0.533759 0.274231 0.444339 B\n0.966241 0.274231 0.944339 B\n0.033759 0.725769 0.055661 B\n0.598793 0.842888 0.002290 B\n0.401207 0.157112 0.997710 B\n0.098793 0.157112 0.497710 B\n0.901207 0.842888 0.502290 B\n0.916280 0.320988 0.192285 O\n0.083720 0.679012 0.807715 O\n0.416280 0.679012 0.307715 O\n0.583720 0.320988 0.692285 O\n0.876907 0.676991 0.010160 O\n0.123093 0.323009 0.989840 O\n0.376907 0.323009 0.489840 O\n0.623093 0.676991 0.510160 O\n0.392489 0.911746 0.419145 O\n0.607511 0.088254 0.580855 O\n0.892489 0.088254 0.080855 O\n0.107511 0.911746 0.919145 O\n0.714626 0.793987 0.234032 O\n0.285374 0.206013 0.765968 O\n0.214626 0.206013 0.265968 O\n0.785374 0.793987 0.734032 O\n0.653880 0.434467 0.068452 O\n0.346120 0.565533 0.931548 O\n0.153880 0.565533 0.431548 O\n0.846120 0.434467 0.568452 O\n0.775031 0.970399 0.485976 O\n0.224969 0.029601 0.514024 O\n0.275031 0.029601 0.014024 O\n0.724969 0.970399 0.985976 O\n0.653388 0.446323 0.367033 O\n0.346612 0.553677 0.632967 O\n0.153388 0.553677 0.132967 O\n0.846612 0.446323 0.867033 O\n0.534709 0.683270 0.132875 O\n0.465291 0.316730 0.867125 O\n0.034709 0.316730 0.367125 O\n0.965291 0.683270 0.632875 O\n0.954217 0.877559 0.386397 O\n0.045783 0.122441 0.613603 O\n0.454217 0.122441 0.113603 O\n0.545783 0.877559 0.886397 O\n0.973017 0.765380 0.147547 O\n0.026983 0.234620 0.852453 O\n0.473017 0.234620 0.352453 O\n0.526983 0.765380 0.647547 O\n",
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{
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