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{
"id": "mp-1222866",
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"structure_string": "Lu10 Al4 Ge11\n1.0\n2.022024 5.193497 0.000000\n-2.022024 5.193497 0.000000\n0.000000 3.041677 24.576327\nLu Al Ge\n10 4 11\ndirect\n0.333400 0.333400 0.943352 Lu\n0.127846 0.127846 0.542582 Lu\n0.727702 0.727702 0.742725 Lu\n0.926385 0.926385 0.142991 Lu\n0.528161 0.528161 0.342479 Lu\n0.073615 0.073615 0.857009 Lu\n0.872154 0.872154 0.457418 Lu\n0.471839 0.471839 0.657521 Lu\n0.666600 0.666600 0.056648 Lu\n0.272298 0.272298 0.257275 Lu\n0.599314 0.599314 0.200483 Al\n0.199823 0.199823 0.399976 Al\n0.800177 0.800177 0.600024 Al\n0.400686 0.400686 0.799517 Al\n0.621315 0.621315 0.940321 Ge\n0.413458 0.413458 0.542943 Ge\n0.014579 0.014579 0.742641 Ge\n0.210410 0.210410 0.143978 Ge\n0.813775 0.813775 0.342966 Ge\n0.789590 0.789590 0.856022 Ge\n0.586542 0.586542 0.457057 Ge\n0.186225 0.186225 0.657034 Ge\n0.378685 0.378685 0.059679 Ge\n0.985421 0.985421 0.257359 Ge\n0.000000 0.000000 0.000000 Ge\n",
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{
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"structure_string": "Na4 Cr8 S16\n1.0\n6.397345 0.024564 0.494909\n-0.039377 7.952215 1.182506\n-0.144980 0.021570 12.266349\nNa Cr S\n4 8 16\ndirect\n0.138711 0.207908 0.681429 Na\n0.861289 0.792092 0.318571 Na\n0.256019 0.369214 0.005747 Na\n0.743981 0.630786 0.994253 Na\n0.152970 0.709027 0.710417 Cr\n0.847030 0.290973 0.289583 Cr\n0.236999 0.895258 0.999489 Cr\n0.763001 0.104742 0.000511 Cr\n0.358017 0.552829 0.294269 Cr\n0.641983 0.447171 0.705731 Cr\n0.366946 0.056690 0.292982 Cr\n0.633054 0.943310 0.707018 Cr\n0.150380 0.692036 0.885799 S\n0.849620 0.307964 0.114201 S\n0.079933 0.121356 0.900847 S\n0.920067 0.878644 0.099153 S\n0.273632 0.790256 0.361446 S\n0.726368 0.209744 0.638554 S\n0.183418 0.290857 0.343875 S\n0.816582 0.709143 0.656125 S\n0.330664 0.928836 0.630104 S\n0.669336 0.071164 0.369896 S\n0.328463 0.507700 0.643087 S\n0.671537 0.492300 0.356913 S\n0.422632 0.060239 0.110944 S\n0.577368 0.939761 0.889056 S\n0.358916 0.636748 0.119335 S\n0.641084 0.363252 0.880665 S\n",
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"elements": [
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"density": 2.7149978788045583,
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"formula_full": "Na4 Cr8 S16",
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"spacegroup": 2
},
{
"id": "mp-863704",
"created_at": "2022-09-04T14:42:15.457372Z",
"structure_string": "Pm2 Mg1 Tl1\n1.0\n0.000000 3.870828 3.870828\n3.870828 0.000000 3.870828\n3.870828 3.870828 0.000000\nPm Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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{
"id": "mp-1221434",
"created_at": "2022-09-04T14:42:15.021891Z",
"structure_string": "Na4 Ta6 S12\n1.0\n14.611895 -2.923808 0.000000\n14.611895 2.923808 0.000000\n14.026847 0.000000 5.030277\nNa Ta S\n4 6 12\ndirect\n0.916515 0.916515 0.916515 Na\n0.583183 0.583183 0.583183 Na\n0.416817 0.416817 0.416817 Na\n0.083485 0.083485 0.083485 Na\n0.333240 0.333240 0.333240 Ta\n0.666760 0.666760 0.666760 Ta\n0.000000 0.000000 0.000000 Ta\n0.833547 0.166453 0.500000 Ta\n0.500000 0.833547 0.166453 Ta\n0.166453 0.500000 0.833547 Ta\n0.966029 0.629201 0.297464 S\n0.297464 0.966029 0.629201 S\n0.629201 0.297464 0.966029 S\n0.702536 0.370799 0.033971 S\n0.033971 0.702536 0.370799 S\n0.370799 0.033971 0.702536 S\n0.869901 0.534855 0.202445 S\n0.202445 0.869901 0.534855 S\n0.534855 0.202445 0.869901 S\n0.797555 0.465145 0.130099 S\n0.130099 0.797555 0.465145 S\n0.465145 0.130099 0.797555 S\n",
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{
"id": "mp-1226224",
"created_at": "2022-09-04T14:42:15.032907Z",
"structure_string": "Cr4 Cd1 Cu1 O8\n1.0\n0.000000 4.316063 4.316063\n4.316063 0.000000 4.316063\n4.316063 4.316063 0.000000\nCr Cd Cu O\n4 1 1 8\ndirect\n0.125632 0.624789 0.624789 Cr\n0.624789 0.125632 0.624789 Cr\n0.624789 0.624789 0.125632 Cr\n0.624789 0.624789 0.624789 Cr\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cu\n0.430281 0.856573 0.856573 O\n0.856573 0.430281 0.856573 O\n0.856573 0.856573 0.430281 O\n0.856573 0.856573 0.856573 O\n0.835898 0.388034 0.388034 O\n0.388034 0.835898 0.388034 O\n0.388034 0.388034 0.835898 O\n0.388034 0.388034 0.388034 O\n",
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"volume": 160.80269442434968,
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"formula_full": "Cr4 Cd1 Cu1 O8",
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},
{
"id": "mp-1375904",
"created_at": "2022-09-04T14:42:15.034261Z",
"structure_string": "Ca4 Al2 Ag2 O10\n1.0\n-2.738209 2.923029 7.457607\n2.738209 -2.923029 7.457607\n2.738209 2.923029 -7.457607\nCa Al Ag O\n4 2 2 10\ndirect\n0.353392 0.864482 0.447163 Ca\n0.082681 0.593770 0.447163 Ca\n0.646608 0.093770 0.511089 Ca\n0.917319 0.364482 0.511089 Ca\n0.673750 0.717487 0.891237 Al\n0.326250 0.217487 0.043738 Al\n0.500000 0.494575 0.994575 Ag\n0.000000 0.994575 0.994575 Ag\n0.595316 0.391289 0.486605 O\n0.404684 0.891289 0.795973 O\n0.253367 0.394896 0.960262 O\n0.746633 0.706895 0.141529 O\n0.934634 0.894896 0.141529 O\n0.065366 0.206895 0.960262 O\n0.270740 0.766861 0.977737 O\n0.729260 0.706997 0.496121 O\n0.710876 0.206997 0.977737 O\n0.289124 0.266861 0.496121 O\n",
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"elements": [
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"Ag",
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],
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"density_atomic": 0.07538992354120695,
"volume": 238.7586981721965,
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"formula_full": "Ca4 Al2 Ag2 O10",
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"updated_at": "2021-11-28T01:35:41.202000Z",
"spacegroup": 46
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{
"id": "mp-698613",
"created_at": "2022-09-04T14:42:15.047185Z",
"structure_string": "La14 Mn16 O45\n1.0\n5.623724 -0.016445 -0.016341\n-0.016121 5.601047 0.029892\n-0.068878 0.155060 31.340967\nLa Mn O\n14 16 45\ndirect\n0.992268 0.977674 0.176321 La\n0.002784 0.987823 0.427645 La\n0.007720 0.970025 0.687362 La\n0.009339 0.975679 0.946485 La\n0.494412 0.486949 0.433319 La\n0.516465 0.484229 0.184985 La\n0.490683 0.469365 0.687528 La\n0.497278 0.475837 0.941726 La\n0.520380 0.528444 0.061839 La\n0.514179 0.535225 0.313746 La\n0.507643 0.531583 0.814899 La\n0.506170 0.533098 0.559817 La\n0.991311 0.030975 0.816078 La\n0.989937 0.032652 0.558764 La\n0.003325 0.486028 0.125871 Mn\n0.994992 0.503494 0.373445 Mn\n0.998476 0.501119 0.623774 Mn\n0.001204 0.500666 0.877554 Mn\n0.999825 0.490295 0.001475 Mn\n0.985210 0.507513 0.250209 Mn\n0.998603 0.505468 0.497227 Mn\n0.998490 0.501133 0.751302 Mn\n0.501024 0.011632 0.369073 Mn\n0.497183 0.999744 0.123013 Mn\n0.509734 0.997836 0.005248 Mn\n0.498759 0.001437 0.623578 Mn\n0.527897 0.995058 0.252977 Mn\n0.496926 0.000347 0.878321 Mn\n0.499571 0.000592 0.751335 Mn\n0.493962 0.004679 0.496302 Mn\n0.078679 0.485173 0.559087 O\n0.080241 0.484101 0.815629 O\n0.213016 0.221128 0.485592 O\n0.221800 0.218284 0.739866 O\n0.237966 0.240801 0.993164 O\n0.240126 0.235415 0.132532 O\n0.238740 0.258922 0.381586 O\n0.217714 0.219063 0.634885 O\n0.214132 0.215968 0.888969 O\n0.293319 0.668789 0.245203 O\n0.263810 0.718204 0.134202 O\n0.262927 0.731564 0.379948 O\n0.276305 0.723064 0.486973 O\n0.281408 0.718069 0.634829 O\n0.279354 0.717917 0.887892 O\n0.279373 0.718049 0.739990 O\n0.273027 0.712927 0.994437 O\n0.445892 0.956181 0.063895 O\n0.420459 0.011560 0.309197 O\n0.420568 0.987094 0.814933 O\n0.419313 0.988869 0.560350 O\n0.570210 0.013468 0.432982 O\n0.580232 0.016755 0.687298 O\n0.543203 0.021730 0.189876 O\n0.576969 0.009986 0.941233 O\n0.725174 0.284970 0.010474 O\n0.727520 0.278655 0.118420 O\n0.694818 0.309922 0.257357 O\n0.720105 0.283511 0.762210 O\n0.718670 0.282725 0.866528 O\n0.731461 0.285371 0.365458 O\n0.716466 0.285702 0.508137 O\n0.717040 0.284716 0.612954 O\n0.761383 0.746319 0.126896 O\n0.777260 0.778594 0.866163 O\n0.771747 0.742950 0.010858 O\n0.788767 0.775803 0.258563 O\n0.755629 0.750860 0.364387 O\n0.781867 0.784566 0.612859 O\n0.778501 0.783945 0.762303 O\n0.772438 0.782184 0.508754 O\n0.964196 0.441098 0.189751 O\n0.921518 0.515726 0.687706 O\n0.926810 0.513521 0.937149 O\n0.923197 0.522379 0.437633 O\n",
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"volume": 987.1604427923779,
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"formula_full": "La14 Mn16 O45",
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"energy": -652.3983670599999,
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{
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"created_at": "2022-09-04T14:42:15.071255Z",
"structure_string": "Bi6 Se6\n1.0\n2.129161 -3.687815 0.000000\n2.129161 3.687815 0.000000\n0.000000 0.000000 24.159378\nBi Se\n6 6\ndirect\n0.666667 0.333333 0.462917 Bi\n0.333333 0.666667 0.537083 Bi\n0.666667 0.333333 0.713992 Bi\n0.333333 0.666667 0.286008 Bi\n0.000000 0.000000 0.871492 Bi\n0.000000 0.000000 0.128508 Bi\n0.000000 0.000000 0.649287 Se\n0.000000 0.000000 0.350713 Se\n0.666667 0.333333 0.208304 Se\n0.333333 0.666667 0.791696 Se\n0.666667 0.333333 0.934327 Se\n0.333333 0.666667 0.065673 Se\n",
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{
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