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{
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{
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{
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"structure_string": "Zr1 Ta1 C2\n1.0\n5.406154 -1.620786 0.000000\n5.406154 1.620786 0.000000\n4.920236 0.000000 2.764910\nZr Ta C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ta\n0.245048 0.245048 0.245048 C\n0.754952 0.754952 0.754952 C\n",
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{
"id": "mp-1187885",
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"structure_string": "Yb2 Cd1 Ga1\n1.0\n0.000000 3.697982 3.697982\n3.697982 0.000000 3.697982\n3.697982 3.697982 0.000000\nYb Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Na1 Al3 Fe6 S2 O38\n1.0\n8.683070 0.000000 0.000000\n-4.307214 7.647743 0.000000\n-0.125619 -4.975533 11.896285\nNa Al Fe S O\n1 3 6 2 38\ndirect\n0.993659 0.999052 0.998808 Na\n0.333355 0.166286 0.499196 Al\n0.666952 0.834695 0.502013 Al\n0.999289 0.498182 0.499319 Al\n0.669223 0.501770 0.496894 Fe\n0.331936 0.831687 0.503221 Fe\n0.001390 0.167093 0.500500 Fe\n0.333157 0.499834 0.498151 Fe\n0.663294 0.165877 0.498948 Fe\n0.995672 0.830987 0.503191 Fe\n0.394804 0.694031 0.904616 S\n0.600504 0.299529 0.095848 S\n0.694387 0.351250 0.969966 O\n0.309480 0.657730 0.030664 O\n0.243055 0.595509 0.861529 O\n0.487762 0.891606 0.872262 O\n0.535476 0.637896 0.866172 O\n0.765531 0.403712 0.129670 O\n0.506033 0.104408 0.135255 O\n0.457055 0.351737 0.137453 O\n0.394690 0.702858 0.581256 O\n0.725100 0.030467 0.580471 O\n0.729757 0.704987 0.582818 O\n0.604519 0.293214 0.416148 O\n0.271311 0.967791 0.423655 O\n0.269145 0.294838 0.417400 O\n0.395299 0.037773 0.583342 O\n0.060270 0.035422 0.583157 O\n0.391069 0.362132 0.577336 O\n0.613138 0.974967 0.419750 O\n0.941761 0.974879 0.420289 O\n0.616662 0.645458 0.418875 O\n0.723606 0.359182 0.578685 O\n0.052012 0.687554 0.581854 O\n0.049929 0.355410 0.581002 O\n0.271452 0.628673 0.419192 O\n0.940833 0.303897 0.419132 O\n0.942110 0.634393 0.418399 O\n0.478725 0.254401 0.835542 O\n0.946865 0.691800 0.830729 O\n0.918454 0.225331 0.826504 O\n0.522462 0.745064 0.169865 O\n0.070370 0.318959 0.164056 O\n0.089913 0.784070 0.166942 O\n0.331470 0.107692 0.856935 O\n0.913208 0.810311 0.853501 O\n0.044392 0.226246 0.850702 O\n0.664754 0.896357 0.146197 O\n0.086911 0.189779 0.147311 O\n0.957888 0.773320 0.145189 O\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.011930 0.000000 0.000000\n0.540047 9.884180 0.000000\n1.266027 2.886557 9.744702\nLi Mn Co O\n9 2 5 16\ndirect\n0.935169 0.682438 0.124718 Li\n0.441029 0.191031 0.128810 Li\n0.316054 0.559519 0.372624 Li\n0.817964 0.062085 0.373418 Li\n0.681748 0.438385 0.626683 Li\n0.182958 0.938485 0.627327 Li\n0.064860 0.317473 0.875670 Li\n0.559645 0.809029 0.871304 Li\n0.499509 0.499216 0.000736 Li\n0.000876 0.000123 0.999699 Mn\n0.748333 0.749920 0.501849 Mn\n0.375375 0.873478 0.250091 Co\n0.878319 0.381525 0.241094 Co\n0.256147 0.248744 0.498427 Co\n0.110395 0.618523 0.761314 Co\n0.633902 0.127312 0.747326 Co\n0.436148 0.848547 0.067990 O\n0.953535 0.342533 0.083656 O\n0.813839 0.727699 0.316478 O\n0.308078 0.227510 0.317873 O\n0.184155 0.599646 0.574921 O\n0.736291 0.102721 0.567837 O\n0.568721 0.480633 0.808957 O\n0.069132 0.981026 0.813423 O\n0.422423 0.518724 0.191505 O\n0.935511 0.020148 0.185363 O\n0.773835 0.397664 0.425937 O\n0.312453 0.901385 0.431095 O\n0.195376 0.273574 0.680600 O\n0.679078 0.771659 0.684951 O\n0.562739 0.152863 0.930198 O\n0.046404 0.656380 0.918128 O\n",
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{
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"structure_string": "Li8 Mn8 P8 O32\n1.0\n5.100927 0.000000 0.000000\n0.000000 8.440509 0.000000\n0.000000 0.000000 18.695938\nLi Mn P O\n8 8 8 32\ndirect\n0.455689 0.148257 0.761855 Li\n0.600720 0.071845 0.549852 Li\n0.100720 0.428155 0.049852 Li\n0.955689 0.351743 0.261855 Li\n0.455689 0.648257 0.738145 Li\n0.600720 0.571845 0.950148 Li\n0.100720 0.928155 0.450148 Li\n0.955689 0.851743 0.238145 Li\n0.964230 0.012387 0.931995 Mn\n0.463016 0.145503 0.339631 Mn\n0.963016 0.354497 0.839631 Mn\n0.464230 0.487613 0.431995 Mn\n0.964230 0.512387 0.568005 Mn\n0.463016 0.645503 0.160369 Mn\n0.963016 0.854497 0.660369 Mn\n0.464230 0.987613 0.068005 Mn\n0.930977 0.201806 0.681468 P\n0.438660 0.239776 0.930416 P\n0.938660 0.260224 0.430416 P\n0.430977 0.298194 0.181468 P\n0.930977 0.701806 0.818532 P\n0.438660 0.739776 0.569584 P\n0.938660 0.760224 0.069584 P\n0.430977 0.798194 0.318532 P\n0.778812 0.065521 0.641662 O\n0.334485 0.088200 0.970784 O\n0.853775 0.107975 0.468750 O\n0.376145 0.140014 0.143359 O\n0.220782 0.155039 0.685215 O\n0.744784 0.227237 0.926169 O\n0.812171 0.215195 0.758658 O\n0.816922 0.269516 0.354123 O\n0.316922 0.230484 0.854123 O\n0.312171 0.284805 0.258658 O\n0.244784 0.272763 0.426169 O\n0.720782 0.344961 0.185215 O\n0.876145 0.359986 0.643359 O\n0.353775 0.392025 0.968750 O\n0.834485 0.411800 0.470784 O\n0.278812 0.434479 0.141662 O\n0.778812 0.565521 0.858338 O\n0.334485 0.588200 0.529216 O\n0.853775 0.607975 0.031250 O\n0.376145 0.640014 0.356641 O\n0.220782 0.655039 0.814785 O\n0.744784 0.727237 0.573831 O\n0.812171 0.715195 0.741342 O\n0.816922 0.769516 0.145877 O\n0.316922 0.730484 0.645877 O\n0.312171 0.784805 0.241342 O\n0.244784 0.772763 0.073831 O\n0.720782 0.844961 0.314785 O\n0.876145 0.859986 0.856641 O\n0.353775 0.892025 0.531250 O\n0.834485 0.911800 0.029216 O\n0.278812 0.934479 0.358338 O\n",
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],
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"formula_full": "Li8 Mn8 P8 O32",
"formula_reduced": "LiMnPO4",
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"updated_at": "2021-11-28T01:38:14.336000Z",
"spacegroup": 33
},
{
"id": "mp-567290",
"created_at": "2022-09-04T14:47:57.248016Z",
"structure_string": "La2 N2\n1.0\n2.066432 -3.579166 0.000000\n2.066432 3.579166 0.000000\n0.000000 0.000000 5.960067\nLa N\n2 2\ndirect\n0.333333 0.666667 0.998741 La\n0.666667 0.333333 0.498741 La\n0.333333 0.666667 0.411259 N\n0.666667 0.333333 0.911259 N\n",
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],
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"density": 5.76019316242597,
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"formula_full": "La2 N2",
"formula_reduced": "LaN",
"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:38:20.569000Z",
"spacegroup": 186
},
{
"id": "mp-1246315",
"created_at": "2022-09-04T14:47:57.253198Z",
"structure_string": "Nb2 Cr6 Ag4 S16\n1.0\n6.940602 -0.030121 -0.015984\n-0.060108 13.287594 -0.028109\n-0.013614 -0.011501 5.999615\nNb Cr Ag S\n2 6 4 16\ndirect\n0.019409 0.251610 0.993113 Nb\n0.230329 0.750517 0.499407 Nb\n0.003164 0.750572 0.001101 Cr\n0.492992 0.251275 0.005067 Cr\n0.499057 0.748527 0.000248 Cr\n0.248447 0.249103 0.504409 Cr\n0.758073 0.750466 0.502297 Cr\n0.750364 0.249050 0.505657 Cr\n0.981450 0.997895 0.343052 Ag\n0.517128 0.502395 0.632688 Ag\n0.988381 0.496939 0.022872 Ag\n0.510650 0.000644 0.954099 Ag\n0.257869 0.360207 0.824595 S\n0.746660 0.650621 0.833626 S\n0.741373 0.149380 0.167801 S\n0.248969 0.857363 0.160416 S\n0.249332 0.142000 0.178504 S\n0.756997 0.849339 0.168693 S\n0.738325 0.352853 0.836659 S\n0.248028 0.643241 0.839763 S\n0.001055 0.143044 0.659366 S\n0.998038 0.858196 0.677373 S\n0.500333 0.346286 0.344278 S\n0.508535 0.651107 0.337974 S\n0.002172 0.352654 0.341332 S\n0.994683 0.641977 0.325183 S\n0.498111 0.153447 0.672793 S\n0.510076 0.849293 0.667632 S\n",
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],
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]
}