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{
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"results": [
{
"id": "mp-758979",
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"structure_string": "Li4 Ti4 Mn10 O24\n1.0\n9.113115 0.000000 0.000000\n0.000000 5.091410 0.000000\n0.000000 2.107690 10.145606\nLi Ti Mn O\n4 4 10 24\ndirect\n0.916497 0.495511 0.266156 Li\n0.575944 0.745390 0.495822 Li\n0.416497 0.504489 0.733844 Li\n0.075944 0.254610 0.504178 Li\n0.750017 0.238018 0.507993 Ti\n0.749212 0.758059 0.993212 Ti\n0.249212 0.241941 0.006788 Ti\n0.250017 0.761982 0.492007 Ti\n0.916768 0.247906 0.009811 Mn\n0.925128 0.755061 0.495562 Mn\n0.723800 0.994973 0.264009 Mn\n0.580813 0.245365 0.997497 Mn\n0.755001 0.506062 0.738685 Mn\n0.425128 0.244939 0.504438 Mn\n0.416768 0.752094 0.990189 Mn\n0.223800 0.005027 0.735991 Mn\n0.255001 0.493938 0.261315 Mn\n0.080813 0.754635 0.002503 Mn\n0.897150 0.119040 0.389135 O\n0.889255 0.879029 0.111004 O\n0.774988 0.877835 0.605174 O\n0.737240 0.116518 0.892812 O\n0.914114 0.615861 0.904283 O\n0.902939 0.401016 0.604069 O\n0.590099 0.135650 0.403259 O\n0.774715 0.624918 0.389520 O\n0.580389 0.877668 0.094931 O\n0.763717 0.376426 0.113043 O\n0.602975 0.598795 0.887563 O\n0.588554 0.367832 0.607930 O\n0.389255 0.120971 0.888996 O\n0.397150 0.880960 0.610865 O\n0.274988 0.122165 0.394826 O\n0.402939 0.598984 0.395931 O\n0.237240 0.883482 0.107188 O\n0.414114 0.384139 0.095717 O\n0.080389 0.122332 0.905069 O\n0.274715 0.375082 0.610480 O\n0.090099 0.864350 0.596741 O\n0.263717 0.623574 0.886957 O\n0.088554 0.632168 0.392070 O\n0.102975 0.401205 0.112437 O\n",
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},
{
"id": "mp-1200559",
"created_at": "2022-09-04T14:39:06.190910Z",
"structure_string": "Er8 Ni28\n1.0\n2.453582 -4.249729 0.000000\n2.453582 4.249729 0.000000\n0.000000 0.000000 24.003880\nEr Ni\n8 28\ndirect\n0.333333 0.666667 0.471121 Er\n0.666667 0.333333 0.528879 Er\n0.666667 0.333333 0.971121 Er\n0.333333 0.666667 0.028879 Er\n0.333333 0.666667 0.326962 Er\n0.666667 0.333333 0.673038 Er\n0.666667 0.333333 0.826962 Er\n0.333333 0.666667 0.173038 Er\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.833643 0.166357 0.250000 Ni\n0.833643 0.667286 0.250000 Ni\n0.332714 0.166357 0.250000 Ni\n0.166357 0.833643 0.750000 Ni\n0.166357 0.332714 0.750000 Ni\n0.667286 0.833643 0.750000 Ni\n0.832213 0.167787 0.415279 Ni\n0.832213 0.664426 0.415279 Ni\n0.335574 0.167787 0.415279 Ni\n0.167787 0.832213 0.584721 Ni\n0.167787 0.335574 0.584721 Ni\n0.664426 0.832213 0.584721 Ni\n0.167787 0.832213 0.915279 Ni\n0.167787 0.335574 0.915279 Ni\n0.664426 0.832213 0.915279 Ni\n0.832213 0.167787 0.084721 Ni\n0.832213 0.664426 0.084721 Ni\n0.335574 0.167787 0.084721 Ni\n0.000000 0.000000 0.332745 Ni\n0.000000 0.000000 0.667255 Ni\n0.000000 0.000000 0.832745 Ni\n0.000000 0.000000 0.167255 Ni\n0.333333 0.666667 0.666912 Ni\n0.666667 0.333333 0.333088 Ni\n0.666667 0.333333 0.166912 Ni\n0.333333 0.666667 0.833088 Ni\n",
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"elements": [
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"volume": 500.5797257799192,
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"spacegroup": 194
},
{
"id": "mp-21679",
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"structure_string": "Fe7 Pb7 F34\n1.0\n5.700439 8.272603 0.000000\n-5.700439 8.272603 0.000000\n0.000000 1.708881 7.543913\nFe Pb F\n7 7 34\ndirect\n0.500000 0.500000 0.500000 Fe\n0.163894 0.163894 0.465258 Fe\n0.836106 0.836106 0.534742 Fe\n0.862771 0.352294 0.199322 Fe\n0.352294 0.862771 0.199322 Fe\n0.137229 0.647706 0.800678 Fe\n0.647706 0.137229 0.800678 Fe\n0.000000 0.000000 0.000000 Pb\n0.259406 0.259406 0.898961 Pb\n0.740594 0.740594 0.101039 Pb\n0.836227 0.455780 0.704088 Pb\n0.455780 0.836227 0.704088 Pb\n0.163773 0.544220 0.295912 Pb\n0.544220 0.163773 0.295912 Pb\n0.742559 0.990975 0.991358 F\n0.990975 0.742559 0.991358 F\n0.257441 0.009025 0.008642 F\n0.009025 0.257441 0.008642 F\n0.245600 0.505465 0.981072 F\n0.505465 0.245600 0.981072 F\n0.754400 0.494535 0.018928 F\n0.494535 0.754400 0.018928 F\n0.036388 0.514783 0.805636 F\n0.514783 0.036388 0.805636 F\n0.963612 0.485217 0.194364 F\n0.485217 0.963612 0.194364 F\n0.788002 0.225961 0.806515 F\n0.225961 0.788002 0.806515 F\n0.211998 0.774039 0.193485 F\n0.774039 0.211998 0.193485 F\n0.281547 0.551210 0.615065 F\n0.551210 0.281547 0.615065 F\n0.718453 0.448790 0.384935 F\n0.448790 0.718453 0.384935 F\n0.024953 0.781832 0.615512 F\n0.781832 0.024953 0.615512 F\n0.975047 0.218168 0.384488 F\n0.218168 0.975047 0.384488 F\n0.111408 0.353410 0.540033 F\n0.353410 0.111408 0.540033 F\n0.888592 0.646590 0.459967 F\n0.646590 0.888592 0.459967 F\n0.752411 0.752411 0.769350 F\n0.247589 0.247589 0.230650 F\n0.098305 0.098305 0.702261 F\n0.901695 0.901695 0.297739 F\n0.572319 0.572319 0.688046 F\n0.427681 0.427681 0.311954 F\n",
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"elements": [
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"density": 5.804880103774464,
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"volume": 711.5036834431877,
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"formula_full": "Fe7 Pb7 F34",
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},
{
"id": "mp-1275616",
"created_at": "2022-09-04T14:39:06.344414Z",
"structure_string": "Li4 Cr2 Co2 O8\n1.0\n-5.971509 -0.165775 -0.030089\n-2.934850 -3.071966 4.068696\n-0.088508 5.973181 0.043306\nLi Cr Co O\n4 2 2 8\ndirect\n0.497879 0.003917 0.502425 Li\n0.998531 0.503399 0.003012 Li\n0.997870 0.504645 0.503040 Li\n0.997803 0.004227 0.502610 Li\n0.996984 0.005281 0.003846 Cr\n0.496926 0.505554 0.503856 Cr\n0.497668 0.004456 0.003242 Co\n0.497730 0.504330 0.003021 Co\n0.750832 0.013336 0.241836 O\n0.259157 0.513183 0.749801 O\n0.735002 0.497585 0.257770 O\n0.242876 0.997778 0.766004 O\n0.271663 0.481803 0.246267 O\n0.740483 0.027844 0.777261 O\n0.254582 0.981658 0.229140 O\n0.723532 0.527969 0.760365 O\n",
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],
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"spacegroup": 15
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{
"id": "mp-26619",
"created_at": "2022-09-04T14:39:05.851012Z",
"structure_string": "Li12 V4 P8 O32\n1.0\n17.952893 0.000000 0.000000\n0.000000 4.922230 0.000000\n0.000000 4.605196 6.418292\nLi V P O\n12 4 8 32\ndirect\n0.120337 0.284242 0.497543 Li\n0.447712 0.974899 0.787657 Li\n0.379663 0.284242 0.997543 Li\n0.052288 0.974899 0.287657 Li\n0.947712 0.025101 0.712343 Li\n0.879663 0.715758 0.502457 Li\n0.801744 0.379587 0.310691 Li\n0.552288 0.025101 0.212343 Li\n0.698256 0.379587 0.810691 Li\n0.301744 0.620413 0.189309 Li\n0.620337 0.715758 0.002457 Li\n0.198256 0.620413 0.689309 Li\n0.372864 0.814220 0.484774 V\n0.627136 0.185780 0.515226 V\n0.872864 0.185780 0.015226 V\n0.127136 0.814220 0.984774 V\n0.535581 0.493388 0.729694 P\n0.785289 0.890580 0.786563 P\n0.285289 0.109420 0.713437 P\n0.964419 0.493388 0.229694 P\n0.464419 0.506612 0.270306 P\n0.714711 0.890580 0.286563 P\n0.035581 0.506612 0.770306 P\n0.214711 0.109420 0.213437 P\n0.934839 0.444887 0.425022 O\n0.309506 0.455153 0.512195 O\n0.566289 0.825782 0.532214 O\n0.198555 0.827038 0.183663 O\n0.327392 0.035353 0.903154 O\n0.698555 0.172962 0.316337 O\n0.190494 0.455153 0.012195 O\n0.690494 0.544847 0.487805 O\n0.800736 0.856580 0.265799 O\n0.699264 0.856580 0.765799 O\n0.433711 0.174218 0.467786 O\n0.827392 0.964647 0.596846 O\n0.809506 0.544847 0.987805 O\n0.939716 0.188939 0.226150 O\n0.801445 0.172962 0.816337 O\n0.172608 0.035353 0.403154 O\n0.301445 0.827038 0.683663 O\n0.448187 0.491889 0.726340 O\n0.560284 0.188939 0.726150 O\n0.066289 0.174218 0.967786 O\n0.065161 0.555113 0.574978 O\n0.060284 0.811061 0.773850 O\n0.300736 0.143420 0.234201 O\n0.434839 0.555113 0.074978 O\n0.948187 0.508111 0.773660 O\n0.933711 0.825782 0.032214 O\n0.051813 0.491889 0.226340 O\n0.565161 0.444887 0.925022 O\n0.672608 0.964647 0.096846 O\n0.199264 0.143420 0.734201 O\n0.439716 0.811061 0.273850 O\n0.551813 0.508111 0.273660 O\n",
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"formula_full": "Li12 V4 P8 O32",
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{
"id": "mp-769457",
"created_at": "2022-09-04T14:39:06.368309Z",
"structure_string": "Li8 Ti8 Cr2 Fe8 O36\n1.0\n2.944630 0.000000 0.000000\n0.000000 9.252806 0.000000\n0.000000 0.000000 25.248742\nLi Ti Cr Fe O\n8 8 2 8 36\ndirect\n0.000000 0.196237 0.989916 Li\n0.000000 0.198743 0.184441 Li\n0.000000 0.301257 0.684441 Li\n0.000000 0.303763 0.489916 Li\n0.000000 0.696237 0.510084 Li\n0.000000 0.698743 0.315559 Li\n0.000000 0.801257 0.815559 Li\n0.000000 0.803763 0.010084 Li\n0.000000 0.998303 0.099555 Ti\n0.500000 0.157576 0.809057 Ti\n0.500000 0.342424 0.309057 Ti\n0.000000 0.501697 0.599555 Ti\n0.000000 0.498303 0.400445 Ti\n0.500000 0.657576 0.690943 Ti\n0.500000 0.842424 0.190943 Ti\n0.000000 0.001697 0.900445 Ti\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.999019 0.307672 Fe\n0.500000 0.150714 0.586511 Fe\n0.500000 0.349286 0.086511 Fe\n0.000000 0.500981 0.807672 Fe\n0.000000 0.499019 0.192328 Fe\n0.500000 0.650714 0.913489 Fe\n0.500000 0.849286 0.413489 Fe\n0.000000 0.000981 0.692328 Fe\n0.000000 0.992625 0.424194 O\n0.000000 0.007375 0.575806 O\n0.500000 0.061381 0.943874 O\n0.500000 0.042328 0.156623 O\n0.500000 0.132797 0.665641 O\n0.000000 0.105660 0.759812 O\n0.500000 0.143535 0.503172 O\n0.500000 0.137691 0.293907 O\n0.000000 0.185558 0.858424 O\n0.000000 0.199115 0.082235 O\n0.000000 0.300885 0.582235 O\n0.000000 0.314442 0.358424 O\n0.500000 0.362309 0.793907 O\n0.500000 0.356465 0.003172 O\n0.000000 0.394340 0.259812 O\n0.500000 0.367203 0.165641 O\n0.500000 0.457672 0.656623 O\n0.500000 0.438619 0.443874 O\n0.000000 0.492625 0.075806 O\n0.000000 0.507375 0.924194 O\n0.500000 0.561381 0.556126 O\n0.500000 0.542328 0.343377 O\n0.500000 0.632797 0.834359 O\n0.000000 0.605660 0.740188 O\n0.500000 0.643535 0.996828 O\n0.500000 0.637691 0.206093 O\n0.000000 0.685558 0.641576 O\n0.000000 0.699115 0.417765 O\n0.000000 0.800885 0.917765 O\n0.000000 0.814442 0.141576 O\n0.500000 0.862309 0.706093 O\n0.500000 0.856465 0.496828 O\n0.000000 0.894340 0.240188 O\n0.500000 0.867203 0.334359 O\n0.500000 0.957672 0.843377 O\n0.500000 0.938619 0.056126 O\n",
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"formula_full": "Li8 Ti8 Cr2 Fe8 O36",
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{
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"structure_string": "Zr1 In1 Ru2\n1.0\n-4.939129 5.579915 7.581532\n4.939129 -5.579915 7.581532\n4.939129 5.579915 -7.581532\nZr In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.227659 0.227659 Ru\n0.000000 0.772341 0.772341 Ru\n",
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{
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