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{
"id": "mp-764985",
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"structure_string": "Li8 Fe3 Co7 O20\n1.0\n20.507501 0.000000 0.001440\n0.000000 2.876421 0.000000\n0.705815 0.000000 5.878108\nLi Fe Co O\n8 3 7 20\ndirect\n0.106963 0.500000 0.240016 Li\n0.289084 0.500000 0.563089 Li\n0.398472 0.000000 0.795179 Li\n0.499732 0.500000 0.999498 Li\n0.603428 0.000000 0.210508 Li\n0.797188 0.000000 0.588909 Li\n0.902871 0.500000 0.794559 Li\n0.001716 0.000000 0.005989 Li\n0.398408 0.000000 0.298163 Fe\n0.601585 0.000000 0.681217 Fe\n0.800316 0.000000 0.117945 Fe\n0.001556 0.000000 0.503555 Co\n0.100576 0.500000 0.701447 Co\n0.198477 0.000000 0.901682 Co\n0.296749 0.500000 0.097124 Co\n0.498438 0.500000 0.499166 Co\n0.700657 0.500000 0.899861 Co\n0.903731 0.500000 0.301768 Co\n0.005396 0.500000 0.725171 O\n0.095129 0.000000 0.486238 O\n0.105277 0.000000 0.922893 O\n0.202728 0.500000 0.108856 O\n0.194555 0.500000 0.693951 O\n0.299844 0.000000 0.315863 O\n0.291431 0.000000 0.878258 O\n0.393879 0.500000 0.058503 O\n0.401344 0.500000 0.536568 O\n0.498141 0.000000 0.274305 O\n0.501094 0.000000 0.724410 O\n0.593470 0.500000 0.456263 O\n0.606784 0.500000 0.927591 O\n0.701221 0.000000 0.109241 O\n0.700145 0.000000 0.689817 O\n0.808316 0.500000 0.343112 O\n0.794551 0.500000 0.871616 O\n0.901158 0.000000 0.074423 O\n0.906463 0.000000 0.521930 O\n0.998850 0.500000 0.281342 O\n",
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{
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"structure_string": "Re2 F14\n1.0\n5.169722 0.000000 0.000000\n-2.140239 4.748980 0.000000\n-0.554350 -0.403037 9.271587\nRe F\n2 14\ndirect\n0.139194 0.868344 0.750723 Re\n0.860806 0.131656 0.249277 Re\n0.827964 0.586355 0.652335 F\n0.172036 0.413645 0.347665 F\n0.424241 0.154625 0.863062 F\n0.575759 0.845375 0.136938 F\n0.941012 0.729648 0.917231 F\n0.058988 0.270352 0.082769 F\n0.223866 0.145204 0.610601 F\n0.776134 0.854796 0.389399 F\n0.302797 0.640972 0.840163 F\n0.697203 0.359028 0.159837 F\n0.338634 0.773650 0.610736 F\n0.661366 0.226350 0.389264 F\n0.895940 0.055361 0.773236 F\n0.104060 0.944639 0.226764 F\n",
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"elements": [
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"density": 4.657090566036871,
"density_atomic": 0.07029078192706094,
"volume": 227.62586446403196,
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"formula_full": "Re2 F14",
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{
"id": "mp-698797",
"created_at": "2022-09-04T14:45:22.229423Z",
"structure_string": "Sr3 La9 Mn10 Cu2 O36\n1.0\n2.781697 4.745547 0.000000\n-2.781697 4.745547 0.000000\n0.000000 0.305044 27.222163\nSr La Mn Cu O\n3 9 10 2 36\ndirect\n0.665550 0.001211 0.834929 Sr\n0.333426 0.666574 0.000000 Sr\n0.998789 0.334450 0.165071 Sr\n0.999582 0.332946 0.917733 La\n0.668716 0.998694 0.332478 La\n0.667054 0.000418 0.082267 La\n0.333357 0.666643 0.500000 La\n0.333797 0.666649 0.248804 La\n0.001306 0.331284 0.667522 La\n0.000624 0.333502 0.414278 La\n0.666498 0.999376 0.585722 La\n0.333351 0.666203 0.751196 La\n0.000849 0.332650 0.792604 Mn\n0.667247 0.999634 0.958334 Mn\n0.332822 0.667221 0.124719 Mn\n0.332779 0.667178 0.875281 Mn\n0.000366 0.332753 0.041666 Mn\n0.668881 0.998296 0.458187 Mn\n0.667350 0.999151 0.207396 Mn\n0.001704 0.331119 0.541813 Mn\n0.996329 0.336887 0.291130 Mn\n0.663113 0.003671 0.708870 Mn\n0.334092 0.666163 0.374947 Cu\n0.333837 0.665908 0.625053 Cu\n0.146431 0.038644 0.842576 O\n0.555680 0.778591 0.916732 O\n0.026112 0.820096 0.923558 O\n0.631083 0.519080 0.823758 O\n0.815561 0.702869 0.009091 O\n0.124755 0.544308 0.832428 O\n0.221409 0.444320 0.083268 O\n0.513292 0.305770 0.910150 O\n0.694230 0.486708 0.089850 O\n0.297131 0.184438 0.990909 O\n0.480920 0.368917 0.176242 O\n0.792542 0.207458 0.000000 O\n0.889676 0.105466 0.251613 O\n0.179904 0.973888 0.076442 O\n0.370621 0.149886 0.259878 O\n0.961356 0.853569 0.157424 O\n0.140515 0.050081 0.341734 O\n0.455692 0.875245 0.167572 O\n0.569054 0.770862 0.419046 O\n0.848676 0.636963 0.242425 O\n0.034194 0.819046 0.428917 O\n0.632340 0.511932 0.321424 O\n0.811067 0.710921 0.511417 O\n0.099240 0.557334 0.332164 O\n0.229138 0.430946 0.580954 O\n0.529911 0.279894 0.407472 O\n0.720106 0.470089 0.592528 O\n0.289079 0.188933 0.488583 O\n0.488068 0.367660 0.678576 O\n0.769613 0.230387 0.500000 O\n0.894534 0.110324 0.748387 O\n0.180954 0.965806 0.571083 O\n0.363037 0.151324 0.757575 O\n0.949919 0.859485 0.658266 O\n0.442666 0.900760 0.667836 O\n0.850114 0.629379 0.740122 O\n",
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"formula_full": "Sr3 La9 Mn10 Cu2 O36",
"formula_reduced": "Sr3La9Mn10(CuO18)2",
"formula_anonymous": "A2B3C9D10E36",
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"spacegroup": 5
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{
"id": "mp-1111934",
"created_at": "2022-09-04T14:45:22.236608Z",
"structure_string": "Na3 Co1 F6\n1.0\n0.000000 4.094881 4.094881\n4.094881 0.000000 4.094881\n4.094881 4.094881 0.000000\nNa Co F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Co\n0.766088 0.233912 0.233912 F\n0.233912 0.766088 0.766088 F\n0.233912 0.766088 0.233912 F\n0.766088 0.233912 0.766088 F\n0.233912 0.233912 0.766088 F\n0.766088 0.766088 0.233912 F\n",
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"density_atomic": 0.07281924103807069,
"volume": 137.3263420140824,
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"formula_full": "Na3 Co1 F6",
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{
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"structure_string": "Ho2 I2 O2\n1.0\n11.037224 -1.957397 0.000000\n11.037224 1.957397 0.000000\n10.690089 0.000000 3.372493\nHo I O\n2 2 2\ndirect\n0.375664 0.375664 0.375664 Ho\n0.624336 0.624336 0.624336 Ho\n0.108381 0.108381 0.108381 I\n0.891619 0.891619 0.891619 I\n0.307369 0.307369 0.307369 O\n0.692631 0.692631 0.692631 O\n",
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{
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"structure_string": "Al8 Sn4 Cl24 O4\n1.0\n12.628571 0.000000 0.000000\n0.000000 9.578244 0.000000\n0.000000 8.480486 9.624033\nAl Sn Cl O\n8 4 24 4\ndirect\n0.108227 0.635418 0.725458 Al\n0.391773 0.635418 0.225458 Al\n0.007441 0.046637 0.577364 Al\n0.891773 0.364582 0.274542 Al\n0.992559 0.953363 0.422636 Al\n0.492559 0.046637 0.077364 Al\n0.608227 0.364582 0.774542 Al\n0.507441 0.953363 0.922636 Al\n0.977228 0.219710 0.796496 Sn\n0.522772 0.219710 0.296496 Sn\n0.022772 0.780290 0.203504 Sn\n0.477228 0.780290 0.703504 Sn\n0.166861 0.515229 0.643114 Cl\n0.277344 0.672735 0.326923 Cl\n0.133505 0.010690 0.967832 Cl\n0.777344 0.327265 0.173077 Cl\n0.633505 0.989310 0.532168 Cl\n0.017856 0.556732 0.130893 Cl\n0.982144 0.443268 0.869107 Cl\n0.222656 0.672735 0.826923 Cl\n0.482144 0.556732 0.630893 Cl\n0.878167 0.772663 0.445685 Cl\n0.097044 0.049665 0.255396 Cl\n0.378167 0.227337 0.054315 Cl\n0.597044 0.950335 0.244604 Cl\n0.866495 0.989310 0.032168 Cl\n0.402956 0.049665 0.755396 Cl\n0.121833 0.227337 0.554315 Cl\n0.333139 0.515229 0.143114 Cl\n0.366495 0.010690 0.467832 Cl\n0.902956 0.950335 0.744604 Cl\n0.621833 0.772663 0.945685 Cl\n0.517856 0.443268 0.369107 Cl\n0.833139 0.484771 0.356886 Cl\n0.722656 0.327265 0.673077 Cl\n0.666861 0.484771 0.856886 Cl\n0.948559 0.143293 0.411987 O\n0.551441 0.143293 0.911987 O\n0.448559 0.856707 0.088013 O\n0.051441 0.856707 0.588013 O\n",
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{
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{
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"energy": -44.82446593,
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{
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