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{
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{
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"structure_string": "Li2 Fe3 Co1 O8\n1.0\n5.103072 -0.030455 -0.018398\n1.677085 2.699309 5.071008\n0.000000 -3.045295 5.041034\nLi Fe Co O\n2 3 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.245923 Fe\n0.500000 0.500000 0.754077 Fe\n0.000000 0.500000 0.000000 Co\n0.218496 0.294257 0.340909 O\n0.218496 0.294257 0.864834 O\n0.244059 0.711916 0.894042 O\n0.248960 0.714763 0.392618 O\n0.751040 0.285237 0.607382 O\n0.755941 0.288084 0.105958 O\n0.781504 0.705743 0.135166 O\n0.781504 0.705743 0.659091 O\n",
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{
"id": "mp-1218985",
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"structure_string": "Sm1 Gd1 B12\n1.0\n5.824798 0.000000 0.000000\n0.000000 5.824798 0.000000\n0.000000 0.000000 4.118919\nSm Gd B\n1 1 12\ndirect\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.199333 B\n0.500000 0.000000 0.199333 B\n0.150333 0.650445 0.500000 B\n0.650445 0.150333 0.500000 B\n0.150333 0.349555 0.500000 B\n0.650445 0.849667 0.500000 B\n0.849667 0.349555 0.500000 B\n0.349555 0.849667 0.500000 B\n0.849667 0.650445 0.500000 B\n0.349555 0.150333 0.500000 B\n0.000000 0.500000 0.800667 B\n0.500000 0.000000 0.800667 B\n",
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},
{
"id": "mp-765725",
"created_at": "2022-09-04T14:42:09.404869Z",
"structure_string": "Na3 Li5 Mn5 O9\n1.0\n5.892818 0.000000 0.000000\n2.942600 5.122639 0.000000\n1.084411 1.509082 8.855563\nNa Li Mn O\n3 5 5 9\ndirect\n0.079020 0.467840 0.433544 Na\n0.394031 0.770277 0.426311 Na\n0.727550 0.120859 0.440561 Na\n0.016251 0.922126 0.181322 Li\n0.387547 0.406150 0.652130 Li\n0.709238 0.732740 0.636226 Li\n0.064445 0.066315 0.625970 Li\n0.368596 0.618387 0.034660 Li\n0.018705 0.682675 0.851676 Mn\n0.414550 0.170905 0.180553 Mn\n0.772404 0.521202 0.181317 Mn\n0.372470 0.023481 0.855169 Mn\n0.745165 0.306226 0.855496 Mn\n0.077770 0.166403 0.273802 O\n0.425130 0.492703 0.244531 O\n0.739616 0.832471 0.270649 O\n0.388854 0.079002 0.626423 O\n0.725447 0.397842 0.626376 O\n0.051388 0.738587 0.622707 O\n0.374943 0.335775 0.935679 O\n0.688473 0.642963 0.939874 O\n0.065000 0.951175 0.950155 O\n",
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"formula_full": "Na3 Li5 Mn5 O9",
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{
"id": "mp-23301",
"created_at": "2022-09-04T14:42:09.410340Z",
"structure_string": "Bi1 F3\n1.0\n0.000000 2.882491 2.882491\n2.882491 0.000000 2.882491\n2.882491 2.882491 0.000000\nBi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 F\n0.500000 0.500000 0.500000 F\n0.750000 0.750000 0.750000 F\n",
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{
"id": "mp-1662205",
"created_at": "2022-09-04T14:42:09.416480Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n-0.068041 -0.000101 4.979918\n7.291427 -0.000042 0.103226\n-0.000059 9.590475 -0.000189\nLi Co P O\n4 4 4 16\ndirect\n0.101001 0.233479 0.435575 Li\n0.899000 0.766520 0.935582 Li\n0.598528 0.265240 0.652535 Li\n0.401476 0.734756 0.152536 Li\n0.795672 0.415964 0.072993 Co\n0.204331 0.584039 0.572991 Co\n0.294153 0.085024 0.023545 Co\n0.705843 0.914982 0.523545 Co\n0.868177 0.004430 0.197930 P\n0.131839 0.995570 0.697935 P\n0.366041 0.493532 0.896826 P\n0.633950 0.506474 0.396812 P\n0.900927 0.011429 0.358033 O\n0.099080 0.988572 0.858031 O\n0.570576 0.982821 0.155927 O\n0.429430 0.017179 0.655933 O\n0.958404 0.146284 0.628519 O\n0.041594 0.853717 0.128519 O\n0.988541 0.191720 0.141030 O\n0.011461 0.808280 0.641026 O\n0.487679 0.309726 0.958934 O\n0.512318 0.690271 0.458937 O\n0.604335 0.520917 0.236742 O\n0.395661 0.479084 0.736738 O\n0.068528 0.516602 0.938990 O\n0.931462 0.483394 0.438991 O\n0.461279 0.351905 0.461338 O\n0.538714 0.648088 0.961344 O\n",
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"density_atomic": 0.08038947501303756,
"volume": 348.3043022169129,
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"formula_full": "Li4 Co4 P4 O16",
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"updated_at": "2021-11-28T01:35:41.853000Z",
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{
"id": "mp-1200027",
"created_at": "2022-09-04T14:42:09.420205Z",
"structure_string": "Nb4 C16 N12 O52\n1.0\n9.125366 0.000000 0.000000\n0.000000 12.824368 0.000000\n0.000000 0.995165 16.190486\nNb C N O\n4 16 12 52\ndirect\n0.937779 0.199098 0.872331 Nb\n0.937779 0.800902 0.627669 Nb\n0.062221 0.800902 0.127669 Nb\n0.062221 0.199098 0.372331 Nb\n0.674916 0.458563 0.081880 C\n0.674916 0.541437 0.418120 C\n0.325084 0.541437 0.918120 C\n0.325084 0.458563 0.581880 C\n0.545546 0.269732 0.971372 C\n0.545546 0.730268 0.528628 C\n0.454454 0.730268 0.028628 C\n0.454454 0.269732 0.471372 C\n0.462069 0.121813 0.795530 C\n0.462069 0.878187 0.704470 C\n0.537931 0.878187 0.204470 C\n0.537931 0.121813 0.295530 C\n0.678221 0.004081 0.902987 C\n0.678221 0.995919 0.597013 C\n0.321779 0.995919 0.097013 C\n0.321779 0.004081 0.402987 C\n0.863410 0.062101 0.122254 N\n0.863410 0.937899 0.377746 N\n0.136590 0.937899 0.877746 N\n0.136590 0.062101 0.622254 N\n0.719492 0.293494 0.621926 N\n0.719492 0.706506 0.878074 N\n0.280508 0.706506 0.378074 N\n0.280508 0.293494 0.121926 N\n0.778472 0.377620 0.306974 N\n0.778472 0.622380 0.193026 N\n0.221528 0.622380 0.693026 N\n0.221528 0.377620 0.806974 N\n0.043895 0.137080 0.975583 O\n0.043895 0.862920 0.524417 O\n0.956105 0.862920 0.024417 O\n0.956105 0.137080 0.475583 O\n0.138481 0.201504 0.926646 O\n0.138481 0.798496 0.573354 O\n0.861519 0.798496 0.073354 O\n0.861519 0.201504 0.426646 O\n0.903857 0.157992 0.753390 O\n0.903857 0.842008 0.746610 O\n0.096143 0.842008 0.246610 O\n0.096143 0.157992 0.253390 O\n0.033835 0.215046 0.759017 O\n0.033835 0.784954 0.740983 O\n0.966165 0.784954 0.240983 O\n0.966165 0.215046 0.259017 O\n0.615158 0.234896 0.027671 O\n0.615158 0.765104 0.472329 O\n0.384842 0.765104 0.972329 O\n0.384842 0.234896 0.527671 O\n0.656056 0.411800 0.145579 O\n0.656056 0.588200 0.354421 O\n0.343944 0.588200 0.854421 O\n0.343944 0.411800 0.645579 O\n0.692524 0.504579 0.017557 O\n0.692524 0.495421 0.482443 O\n0.307476 0.495421 0.982443 O\n0.307476 0.504579 0.517557 O\n0.842006 0.312101 0.891804 O\n0.842006 0.687899 0.608196 O\n0.157994 0.687899 0.108196 O\n0.157994 0.312101 0.391804 O\n0.474595 0.302710 0.915211 O\n0.474595 0.697290 0.584789 O\n0.525405 0.697290 0.084789 O\n0.525405 0.302710 0.415211 O\n0.342938 0.121261 0.774203 O\n0.342938 0.878739 0.725797 O\n0.657062 0.878739 0.225797 O\n0.657062 0.121261 0.274203 O\n0.596179 0.934513 0.902512 O\n0.596179 0.065487 0.597488 O\n0.403821 0.065487 0.097488 O\n0.403821 0.934513 0.402512 O\n0.760751 0.074763 0.905681 O\n0.760751 0.925237 0.594319 O\n0.239249 0.925237 0.094319 O\n0.239249 0.074763 0.405681 O\n0.886014 0.500000 0.750000 O\n0.113986 0.500000 0.250000 O\n0.751133 0.500000 0.750000 O\n0.248867 0.500000 0.250000 O\n",
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"formula_full": "Nb4 C16 N12 O52",
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{
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"structure_string": "Er1 Au1\n1.0\n3.575356 0.000000 0.000000\n0.000000 3.575356 0.000000\n0.000000 0.000000 3.575356\nEr Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "Sr6 Mg1 W4 O18\n1.0\n5.994097 3.334893 6.030033\n-4.274988 3.047299 4.503007\n0.602484 -5.489669 4.759350\nSr Mg W O\n6 1 4 18\ndirect\n0.277315 0.866886 0.628245 Sr\n0.027787 0.374634 0.736750 Sr\n0.528466 0.735325 0.140539 Sr\n0.454710 0.253887 0.844076 Sr\n0.014755 0.633888 0.225370 Sr\n0.760852 0.057428 0.442354 Sr\n0.774581 0.248477 0.027173 Mg\n0.847853 0.843630 0.846133 W\n0.364603 0.322806 0.319284 W\n0.141392 0.153576 0.155548 W\n0.648362 0.640929 0.660861 W\n0.055029 0.956715 0.295791 O\n0.048244 0.712882 0.841889 O\n0.633088 0.918379 0.794066 O\n0.322258 0.583148 0.398453 O\n0.147290 0.281176 0.418861 O\n0.250905 0.405231 0.101398 O\n0.456662 0.636347 0.815125 O\n0.580629 0.777517 0.461415 O\n0.781140 0.937893 0.107878 O\n0.205741 0.113655 0.885412 O\n0.429293 0.190044 0.521673 O\n0.860740 0.714513 0.568383 O\n0.556172 0.336759 0.153637 O\n0.756481 0.569058 0.892733 O\n0.688555 0.386816 0.581056 O\n0.366244 0.057392 0.188734 O\n0.941741 0.319629 0.126105 O\n0.873754 0.114236 0.776414 O\n",
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{
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"structure_string": "Sm1 Cd3\n1.0\n0.000000 3.638934 3.638934\n3.638934 0.000000 3.638934\n3.638934 3.638934 0.000000\nSm Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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{
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"structure_string": "Tl2 Pd9 Pb1\n1.0\n-2.076221 2.076221 11.937970\n2.076221 -2.076221 11.937970\n2.076221 2.076221 -11.937970\nTl Pd Pb\n2 9 1\ndirect\n0.166047 0.166047 0.000000 Tl\n0.000979 0.000979 0.000000 Tl\n0.916128 0.416128 0.500000 Pd\n0.416128 0.916128 0.500000 Pd\n0.084229 0.584229 0.500000 Pd\n0.584229 0.084229 0.500000 Pd\n0.500271 0.500271 0.000000 Pd\n0.749573 0.249573 0.500000 Pd\n0.249573 0.749573 0.500000 Pd\n0.331046 0.331046 0.000000 Pd\n0.667623 0.667623 0.000000 Pd\n0.834175 0.834175 0.000000 Pb\n",
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}