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{
"id": "mp-1225867",
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"structure_string": "Er4 Fe34 C3\n1.0\n4.315052 2.487274 4.138150\n-4.289056 2.450493 4.133094\n-0.037462 -9.892780 8.281579\nEr Fe C\n4 34 3\ndirect\n0.663519 0.654339 0.327516 Er\n0.661108 0.660291 0.825924 Er\n0.336481 0.345661 0.172484 Er\n0.338892 0.339709 0.674076 Er\n0.902277 0.903807 0.452169 Fe\n0.904774 0.904215 0.950628 Fe\n0.097723 0.096193 0.047831 Fe\n0.095226 0.095785 0.549372 Fe\n0.341500 0.344727 0.426284 Fe\n0.343155 0.342599 0.924211 Fe\n0.341737 0.850991 0.172216 Fe\n0.344106 0.849514 0.673156 Fe\n0.852511 0.344901 0.172920 Fe\n0.848937 0.344790 0.673069 Fe\n0.658500 0.655273 0.073716 Fe\n0.656845 0.657401 0.575789 Fe\n0.658263 0.149009 0.327784 Fe\n0.655894 0.150486 0.826844 Fe\n0.147489 0.655099 0.327080 Fe\n0.151063 0.655210 0.826931 Fe\n0.284813 0.715682 0.500064 Fe\n0.284458 0.715460 0.999858 Fe\n0.716114 0.999653 0.142011 Fe\n0.709246 0.000007 0.646531 Fe\n0.001409 0.290626 0.354581 Fe\n0.999188 0.291359 0.853746 Fe\n0.283886 0.000347 0.357989 Fe\n0.290754 0.999993 0.853469 Fe\n0.998591 0.709374 0.145419 Fe\n0.000812 0.708641 0.646254 Fe\n0.715187 0.284318 0.999936 Fe\n0.715542 0.284540 0.500142 Fe\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.998995 0.499888 0.500364 Fe\n0.001005 0.500112 0.999636 Fe\n0.500345 0.998062 0.998972 Fe\n0.499655 0.001937 0.501028 Fe\n0.498785 0.499613 0.999635 C\n0.501215 0.500387 0.500365 C\n0.500000 0.000000 0.250000 C\n",
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{
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{
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"structure_string": "Cs8 Te16 O36\n1.0\n-5.481408 5.481408 10.453579\n5.481408 -5.481408 10.453579\n5.481408 5.481408 -10.453579\nCs Te O\n8 16 36\ndirect\n0.375000 0.403371 0.528371 Cs\n0.875000 0.846629 0.471629 Cs\n0.153371 0.625000 0.028371 Cs\n0.596629 0.125000 0.971629 Cs\n0.505174 0.005174 0.500000 Cs\n0.244826 0.244826 0.000000 Cs\n0.994826 0.494826 0.500000 Cs\n0.755174 0.755174 0.000000 Cs\n0.183359 0.935335 0.996994 Te\n0.566641 0.063635 0.251976 Te\n0.938341 0.186365 0.003006 Te\n0.811659 0.314665 0.748024 Te\n0.813635 0.816641 0.751976 Te\n0.936365 0.188341 0.503006 Te\n0.064665 0.061659 0.248024 Te\n0.685335 0.433359 0.496994 Te\n0.463241 0.707229 0.027432 Te\n0.286759 0.814191 0.743988 Te\n0.679798 0.435809 0.972568 Te\n0.070202 0.542771 0.256012 Te\n0.564191 0.536759 0.243988 Te\n0.185809 0.929798 0.472568 Te\n0.292771 0.320202 0.756012 Te\n0.457229 0.713241 0.527432 Te\n0.524609 0.719745 0.211135 O\n0.225391 0.936527 0.695136 O\n0.508610 0.313473 0.788865 O\n0.241390 0.530255 0.304864 O\n0.686527 0.475391 0.195136 O\n0.063473 0.758610 0.288865 O\n0.280255 0.491390 0.804864 O\n0.469745 0.774609 0.711135 O\n0.045593 0.806502 0.896080 O\n0.704407 0.100488 0.260909 O\n0.910422 0.149512 0.103920 O\n0.839578 0.443498 0.739091 O\n0.850488 0.954407 0.760909 O\n0.899512 0.160422 0.603920 O\n0.193498 0.089578 0.239091 O\n0.556502 0.295593 0.396080 O\n0.340390 0.879002 0.113294 O\n0.409610 0.022903 0.038612 O\n0.765708 0.227097 0.886706 O\n0.984292 0.370998 0.961388 O\n0.772903 0.659610 0.538612 O\n0.977097 0.015708 0.386706 O\n0.120998 0.234292 0.461388 O\n0.629002 0.590390 0.613294 O\n0.151607 0.812248 0.768925 O\n0.598393 0.867318 0.160641 O\n0.043323 0.382682 0.231075 O\n0.706677 0.437752 0.839359 O\n0.617318 0.848393 0.660641 O\n0.132682 0.293323 0.731075 O\n0.187752 0.956677 0.339359 O\n0.562248 0.401607 0.268925 O\n0.603246 0.603246 0.000000 O\n0.146754 0.646754 0.500000 O\n0.396754 0.396754 0.000000 O\n0.353246 0.853246 0.500000 O\n",
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"density": 4.8650203327355,
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{
"id": "mp-1271275",
"created_at": "2022-09-04T14:46:17.892808Z",
"structure_string": "Zn8 Sb16 N32\n1.0\n8.946270 0.000000 0.000000\n0.000000 8.946270 0.000000\n0.000000 0.000000 8.946270\nZn Sb N\n8 16 32\ndirect\n0.375000 0.375000 0.375000 Zn\n0.375000 0.875000 0.875000 Zn\n0.875000 0.375000 0.875000 Zn\n0.875000 0.875000 0.375000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.000000 0.000000 0.000000 Sb\n0.000000 0.250000 0.250000 Sb\n0.250000 0.000000 0.250000 Sb\n0.250000 0.250000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.750000 0.750000 Sb\n0.250000 0.500000 0.750000 Sb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.500000 0.250000 0.750000 Sb\n0.750000 0.000000 0.750000 Sb\n0.750000 0.250000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.750000 0.250000 Sb\n0.750000 0.500000 0.250000 Sb\n0.750000 0.750000 0.000000 Sb\n0.759820 0.759820 0.759820 N\n0.759820 0.490180 0.490180 N\n0.490180 0.759820 0.490180 N\n0.490180 0.490180 0.759820 N\n0.240180 0.240180 0.240180 N\n0.240180 0.009820 0.009820 N\n0.009820 0.240180 0.009820 N\n0.009820 0.009820 0.240180 N\n0.759820 0.259820 0.259820 N\n0.759820 0.990180 0.990180 N\n0.490180 0.259820 0.990180 N\n0.490180 0.990180 0.259820 N\n0.240180 0.740180 0.740180 N\n0.240180 0.509820 0.509820 N\n0.009820 0.740180 0.509820 N\n0.009820 0.509820 0.740180 N\n0.259820 0.759820 0.259820 N\n0.259820 0.490180 0.990180 N\n0.990180 0.759820 0.990180 N\n0.990180 0.490180 0.259820 N\n0.740180 0.240180 0.740180 N\n0.740180 0.009820 0.509820 N\n0.509820 0.240180 0.509820 N\n0.509820 0.009820 0.740180 N\n0.259820 0.259820 0.759820 N\n0.259820 0.990180 0.490180 N\n0.990180 0.259820 0.490180 N\n0.990180 0.990180 0.759820 N\n0.740180 0.740180 0.240180 N\n0.740180 0.509820 0.009820 N\n0.509820 0.740180 0.009820 N\n0.509820 0.509820 0.240180 N\n",
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{
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"structure_string": "Li8 V4 C8 O24\n1.0\n-0.000013 4.904079 0.000000\n3.377101 -0.000013 -12.595845\n-8.399144 0.000020 -0.627958\nLi V C O\n8 4 8 24\ndirect\n0.532182 0.040287 0.940410 Li\n0.532114 0.540524 0.940124 Li\n0.032170 0.459715 0.059586 Li\n0.032127 0.959483 0.059885 Li\n0.964376 0.274655 0.656013 Li\n0.964458 0.774358 0.655223 Li\n0.464395 0.225344 0.343988 Li\n0.464476 0.725650 0.344795 Li\n0.505182 0.604413 0.595396 V\n0.005180 0.895587 0.404605 V\n0.505314 0.104649 0.596277 V\n0.005312 0.395345 0.403716 V\n0.025995 0.103094 0.827913 C\n0.025959 0.602989 0.827162 C\n0.525989 0.396905 0.172083 C\n0.525966 0.897013 0.172840 C\n0.467816 0.369792 0.603794 C\n0.467840 0.869837 0.604163 C\n0.967828 0.130204 0.396204 C\n0.967845 0.630164 0.395840 C\n0.914007 0.053917 0.929924 O\n0.914059 0.553976 0.929353 O\n0.413995 0.446082 0.070073 O\n0.414070 0.946024 0.070646 O\n0.290393 0.109496 0.819468 O\n0.290347 0.609430 0.818672 O\n0.790387 0.390505 0.180528 O\n0.790359 0.890574 0.181329 O\n0.878000 0.149030 0.733858 O\n0.877906 0.648776 0.732945 O\n0.377997 0.350967 0.266140 O\n0.377917 0.851228 0.267059 O\n0.566428 0.277118 0.600344 O\n0.566262 0.777020 0.599706 O\n0.066440 0.222878 0.399650 O\n0.066270 0.722981 0.400291 O\n0.132427 0.057583 0.427170 O\n0.132507 0.557435 0.426228 O\n0.632416 0.442413 0.572832 O\n0.632505 0.942565 0.573775 O\n0.212495 0.389514 0.633435 O\n0.212669 0.889553 0.634233 O\n0.712506 0.110481 0.366563 O\n0.712671 0.610448 0.365774 O\n",
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{
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"structure_string": "U12 Rh4 Se31\n1.0\n-6.842508 6.842508 6.857255\n6.842508 -6.842508 6.857255\n6.842508 6.842508 -6.857255\nU Rh Se\n12 4 31\ndirect\n0.705162 0.000859 0.295696 U\n0.294838 0.590534 0.295696 U\n0.699501 0.699501 0.399002 U\n0.409466 0.705162 0.704304 U\n0.000859 0.705162 0.295696 U\n0.300499 0.699501 0.000000 U\n0.590534 0.294838 0.295696 U\n0.300499 0.300499 0.600998 U\n0.705162 0.409466 0.704304 U\n0.999141 0.294838 0.704304 U\n0.699501 0.300499 0.000000 U\n0.294838 0.999141 0.704304 U\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.437366 0.999518 0.182170 Se\n0.182652 0.000482 0.437848 Se\n0.182652 0.744805 0.182170 Se\n0.817348 0.999518 0.562152 Se\n0.500000 0.763042 0.263042 Se\n0.250000 0.750000 0.500000 Se\n0.811495 0.811495 0.251639 Se\n0.255195 0.817348 0.817830 Se\n0.562634 0.744805 0.562152 Se\n0.999518 0.817348 0.562152 Se\n0.559856 0.811495 0.000000 Se\n0.000482 0.562634 0.817830 Se\n0.440144 0.440144 0.251639 Se\n0.255195 0.437366 0.437848 Se\n0.763042 0.500000 0.263042 Se\n0.236958 0.500000 0.736958 Se\n0.744805 0.562634 0.562152 Se\n0.559856 0.559856 0.748361 Se\n0.999518 0.437366 0.182170 Se\n0.188505 0.440144 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.437366 0.255195 0.437848 Se\n0.811495 0.559856 0.000000 Se\n0.744805 0.182652 0.182170 Se\n0.188505 0.188505 0.748361 Se\n0.750000 0.250000 0.500000 Se\n0.500000 0.236958 0.736958 Se\n0.817348 0.255195 0.817830 Se\n0.000482 0.182652 0.437848 Se\n0.440144 0.188505 0.000000 Se\n0.562634 0.000482 0.817830 Se\n",
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{
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