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{
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"elements": [
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"Bi",
"P",
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"formula_reduced": "MgBi4(PO6)2",
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"updated_at": "2021-11-28T01:34:49.489000Z",
"spacegroup": 61
},
{
"id": "mp-13875",
"created_at": "2022-09-04T14:41:08.537999Z",
"structure_string": "Al32 Pb36 O84\n1.0\n13.470318 0.000000 0.000000\n0.000000 13.470318 0.000000\n0.000000 0.000000 13.470318\nAl Pb O\n32 36 84\ndirect\n0.218380 0.454585 0.106960 Al\n0.106960 0.218380 0.454585 Al\n0.454585 0.106960 0.218380 Al\n0.045415 0.893040 0.718380 Al\n0.606960 0.281620 0.545415 Al\n0.545415 0.606960 0.281620 Al\n0.393040 0.781620 0.954585 Al\n0.893040 0.718380 0.045415 Al\n0.954585 0.393040 0.781620 Al\n0.718380 0.045415 0.893040 Al\n0.781620 0.954585 0.393040 Al\n0.281620 0.545415 0.606960 Al\n0.781620 0.545415 0.893040 Al\n0.893040 0.781620 0.545415 Al\n0.545415 0.893040 0.781620 Al\n0.954585 0.106960 0.281620 Al\n0.393040 0.718380 0.454585 Al\n0.454585 0.393040 0.718380 Al\n0.606960 0.218380 0.045415 Al\n0.106960 0.281620 0.954585 Al\n0.045415 0.606960 0.218380 Al\n0.281620 0.954585 0.106960 Al\n0.218380 0.045415 0.606960 Al\n0.718380 0.454585 0.393040 Al\n0.074541 0.074541 0.074541 Al\n0.425459 0.925459 0.574541 Al\n0.574541 0.425459 0.925459 Al\n0.925459 0.574541 0.425459 Al\n0.925459 0.925459 0.925459 Al\n0.574541 0.074541 0.425459 Al\n0.425459 0.574541 0.074541 Al\n0.074541 0.425459 0.574541 Al\n0.265371 0.956824 0.376549 Pb\n0.376549 0.265371 0.956824 Pb\n0.956824 0.376549 0.265371 Pb\n0.543176 0.623451 0.765371 Pb\n0.876549 0.234629 0.043176 Pb\n0.043176 0.876549 0.234629 Pb\n0.123451 0.734629 0.456824 Pb\n0.623451 0.765371 0.543176 Pb\n0.456824 0.123451 0.734629 Pb\n0.765371 0.543176 0.623451 Pb\n0.734629 0.456824 0.123451 Pb\n0.234629 0.043176 0.876549 Pb\n0.734629 0.043176 0.623451 Pb\n0.623451 0.734629 0.043176 Pb\n0.043176 0.623451 0.734629 Pb\n0.456824 0.376549 0.234629 Pb\n0.123451 0.765371 0.956824 Pb\n0.956824 0.123451 0.765371 Pb\n0.876549 0.265371 0.543176 Pb\n0.376549 0.234629 0.456824 Pb\n0.543176 0.876549 0.265371 Pb\n0.234629 0.456824 0.376549 Pb\n0.265371 0.543176 0.876549 Pb\n0.765371 0.956824 0.123451 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.000000 0.000000 Pb\n0.224482 0.224482 0.224482 Pb\n0.275518 0.775518 0.724482 Pb\n0.724482 0.275518 0.775518 Pb\n0.775518 0.724482 0.275518 Pb\n0.775518 0.775518 0.775518 Pb\n0.724482 0.224482 0.275518 Pb\n0.275518 0.724482 0.224482 Pb\n0.224482 0.275518 0.724482 Pb\n0.047171 0.054074 0.203064 O\n0.203064 0.047171 0.054074 O\n0.054074 0.203064 0.047171 O\n0.445926 0.796936 0.547171 O\n0.703064 0.452829 0.945926 O\n0.945926 0.703064 0.452829 O\n0.296936 0.952829 0.554074 O\n0.796936 0.547171 0.445926 O\n0.554074 0.296936 0.952829 O\n0.547171 0.445926 0.796936 O\n0.952829 0.554074 0.296936 O\n0.452829 0.945926 0.703064 O\n0.952829 0.945926 0.796936 O\n0.796936 0.952829 0.945926 O\n0.945926 0.796936 0.952829 O\n0.554074 0.203064 0.452829 O\n0.296936 0.547171 0.054074 O\n0.054074 0.296936 0.547171 O\n0.703064 0.047171 0.445926 O\n0.203064 0.452829 0.554074 O\n0.445926 0.703064 0.047171 O\n0.452829 0.554074 0.203064 O\n0.047171 0.445926 0.703064 O\n0.547171 0.054074 0.296936 O\n0.711809 0.621029 0.809562 O\n0.809562 0.711809 0.621029 O\n0.621029 0.809562 0.711809 O\n0.878971 0.190438 0.211809 O\n0.309562 0.788191 0.378971 O\n0.378971 0.309562 0.788191 O\n0.690438 0.288191 0.121029 O\n0.190438 0.211809 0.878971 O\n0.121029 0.690438 0.288191 O\n0.211809 0.878971 0.190438 O\n0.288191 0.121029 0.690438 O\n0.788191 0.378971 0.309562 O\n0.288191 0.378971 0.190438 O\n0.190438 0.288191 0.378971 O\n0.378971 0.190438 0.288191 O\n0.121029 0.809562 0.788191 O\n0.690438 0.211809 0.621029 O\n0.621029 0.690438 0.211809 O\n0.309562 0.711809 0.878971 O\n0.809562 0.788191 0.121029 O\n0.878971 0.309562 0.711809 O\n0.788191 0.121029 0.809562 O\n0.711809 0.878971 0.309562 O\n0.211809 0.621029 0.690438 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.384841 0.493346 0.669615 O\n0.669615 0.384841 0.493346 O\n0.493346 0.669615 0.384841 O\n0.006654 0.330385 0.884841 O\n0.169615 0.115159 0.506654 O\n0.506654 0.169615 0.115159 O\n0.830385 0.615159 0.993346 O\n0.330385 0.884841 0.006654 O\n0.993346 0.830385 0.615159 O\n0.884841 0.006654 0.330385 O\n0.615159 0.993346 0.830385 O\n0.115159 0.506654 0.169615 O\n0.615159 0.506654 0.330385 O\n0.330385 0.615159 0.506654 O\n0.506654 0.330385 0.615159 O\n0.993346 0.669615 0.115159 O\n0.830385 0.884841 0.493346 O\n0.493346 0.830385 0.884841 O\n0.169615 0.384841 0.006654 O\n0.669615 0.115159 0.993346 O\n0.006654 0.169615 0.384841 O\n0.115159 0.993346 0.669615 O\n0.384841 0.006654 0.169615 O\n0.884841 0.493346 0.830385 O\n0.392198 0.392198 0.392198 O\n0.107802 0.607802 0.892198 O\n0.892198 0.107802 0.607802 O\n0.607802 0.892198 0.107802 O\n0.607802 0.607802 0.607802 O\n0.892198 0.392198 0.107802 O\n0.107802 0.892198 0.392198 O\n0.392198 0.107802 0.892198 O\n",
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"elements": [
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"density": 6.567308998631525,
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"formula_full": "Al32 Pb36 O84",
"formula_reduced": "Al8(Pb3O7)3",
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},
{
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"structure_string": "Zn8 H80 C16 Se32 N16\n1.0\n12.438109 0.000000 0.000000\n0.000000 15.587632 0.000000\n0.000000 0.000000 12.080447\nZn H C Se N\n8 80 16 32 16\ndirect\n0.550450 0.239265 0.447420 Zn\n0.449550 0.760735 0.947420 Zn\n0.949550 0.739265 0.947420 Zn\n0.050450 0.260735 0.447420 Zn\n0.686084 0.244593 0.945470 Zn\n0.313916 0.755407 0.445470 Zn\n0.813916 0.744593 0.445470 Zn\n0.186084 0.255407 0.945470 Zn\n0.622001 0.296657 0.258153 H\n0.377999 0.703343 0.758153 H\n0.877999 0.796657 0.758153 H\n0.122001 0.203343 0.258153 H\n0.667584 0.357422 0.358224 H\n0.332416 0.642578 0.858224 H\n0.832416 0.857422 0.858224 H\n0.167584 0.142578 0.358224 H\n0.730547 0.198510 0.539288 H\n0.269453 0.801490 0.039288 H\n0.769453 0.698510 0.039288 H\n0.230547 0.301490 0.539288 H\n0.752876 0.198182 0.406860 H\n0.247124 0.801818 0.906860 H\n0.747124 0.698182 0.906860 H\n0.252876 0.301818 0.406860 H\n0.504127 0.282504 0.034246 H\n0.495873 0.717496 0.534246 H\n0.995873 0.782504 0.534246 H\n0.004127 0.217496 0.034246 H\n0.484215 0.289258 0.901792 H\n0.515785 0.710742 0.401792 H\n0.015785 0.789258 0.401792 H\n0.984215 0.210742 0.901792 H\n0.616093 0.180270 0.759865 H\n0.383907 0.819730 0.259865 H\n0.883907 0.680270 0.259865 H\n0.116093 0.319730 0.759865 H\n0.575788 0.119379 0.862244 H\n0.424212 0.880621 0.362244 H\n0.924212 0.619379 0.362244 H\n0.075788 0.380621 0.862244 H\n0.483720 0.421057 0.378351 H\n0.516280 0.578943 0.878351 H\n0.016280 0.921057 0.878351 H\n0.983720 0.078943 0.378351 H\n0.551411 0.449672 0.253333 H\n0.448589 0.550328 0.753333 H\n0.948589 0.949672 0.753333 H\n0.051411 0.050328 0.253333 H\n0.451984 0.367108 0.253421 H\n0.548016 0.632892 0.753421 H\n0.048016 0.867108 0.753421 H\n0.951984 0.132892 0.253421 H\n0.675058 0.058379 0.382758 H\n0.324942 0.941621 0.882758 H\n0.824942 0.558379 0.882758 H\n0.175058 0.441621 0.382758 H\n0.776906 0.054168 0.487112 H\n0.223094 0.945832 0.987112 H\n0.723094 0.554168 0.987112 H\n0.276906 0.445832 0.487112 H\n0.637832 0.057807 0.523859 H\n0.362168 0.942193 0.023859 H\n0.862168 0.557807 0.023859 H\n0.137832 0.442193 0.523859 H\n0.573438 0.428093 0.893671 H\n0.426562 0.571907 0.393671 H\n0.926562 0.928093 0.393671 H\n0.073438 0.071907 0.893671 H\n0.460826 0.430007 0.986860 H\n0.539174 0.569993 0.486860 H\n0.039174 0.930007 0.486860 H\n0.960826 0.069993 0.986860 H\n0.594956 0.421084 0.038251 H\n0.405044 0.578916 0.538251 H\n0.905044 0.921084 0.538251 H\n0.094956 0.078916 0.038251 H\n0.758185 0.059840 0.882132 H\n0.241815 0.940160 0.382132 H\n0.741815 0.559840 0.382132 H\n0.258185 0.440160 0.882132 H\n0.696194 0.032739 0.753665 H\n0.303806 0.967261 0.253665 H\n0.803806 0.532739 0.253665 H\n0.196194 0.467261 0.753665 H\n0.792859 0.117974 0.760535 H\n0.207141 0.882026 0.260535 H\n0.707141 0.617974 0.260535 H\n0.292859 0.382026 0.760535 H\n0.517656 0.395967 0.301212 C\n0.482344 0.604033 0.801212 C\n0.982344 0.895967 0.801212 C\n0.017656 0.104033 0.301212 C\n0.698272 0.081179 0.465131 C\n0.301728 0.918821 0.965131 C\n0.801728 0.581179 0.965131 C\n0.198272 0.418821 0.465131 C\n0.540594 0.402328 0.971037 C\n0.459406 0.597672 0.471037 C\n0.959406 0.902328 0.471037 C\n0.040594 0.097672 0.971037 C\n0.726843 0.086093 0.804424 C\n0.273157 0.913907 0.304424 C\n0.773157 0.586093 0.304424 C\n0.226843 0.413907 0.804424 C\n0.723676 0.178505 0.125750 Se\n0.276324 0.821495 0.625750 Se\n0.776324 0.678505 0.625750 Se\n0.223676 0.321495 0.125750 Se\n0.574583 0.081751 0.126864 Se\n0.425417 0.918249 0.626864 Se\n0.925417 0.581751 0.626864 Se\n0.074583 0.418249 0.126864 Se\n0.423162 0.159536 0.187865 Se\n0.576838 0.840464 0.687865 Se\n0.076838 0.659536 0.687865 Se\n0.923162 0.340464 0.187865 Se\n0.407366 0.145684 0.384070 Se\n0.592634 0.854316 0.884070 Se\n0.092634 0.645684 0.884070 Se\n0.907366 0.354316 0.384070 Se\n0.509786 0.312776 0.622446 Se\n0.490214 0.687224 0.122446 Se\n0.990214 0.812776 0.122446 Se\n0.009786 0.187224 0.622446 Se\n0.660169 0.408563 0.625408 Se\n0.339831 0.591437 0.125408 Se\n0.839831 0.908563 0.125408 Se\n0.160169 0.091437 0.625408 Se\n0.810123 0.327913 0.684741 Se\n0.189877 0.672087 0.184741 Se\n0.689877 0.827913 0.184741 Se\n0.310123 0.172087 0.684741 Se\n0.826102 0.339890 0.880627 Se\n0.173898 0.660110 0.380627 Se\n0.673898 0.839890 0.380627 Se\n0.326102 0.160110 0.880627 Se\n0.598819 0.329634 0.328093 N\n0.401181 0.670366 0.828093 N\n0.901181 0.829634 0.828093 N\n0.098819 0.170366 0.328093 N\n0.700078 0.176376 0.465766 N\n0.299922 0.823624 0.965766 N\n0.799922 0.676376 0.965766 N\n0.200078 0.323624 0.465766 N\n0.536567 0.307611 0.963219 N\n0.463433 0.692389 0.463219 N\n0.963433 0.807611 0.463219 N\n0.036567 0.192389 0.963219 N\n0.641855 0.149792 0.830506 N\n0.358145 0.850208 0.330506 N\n0.858145 0.649792 0.330506 N\n0.141855 0.350208 0.830506 N\n",
"nsites": 152,
"nelements": 5,
"elements": [
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"H",
"C",
"Se",
"N"
],
"chemical_system": "C-H-N-Se-Zn",
"density": 2.514671272902838,
"density_atomic": 0.06489721815880739,
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"volume_molar": 9.279505240522731,
"formula_full": "Zn8 H80 C16 Se32 N16",
"formula_reduced": "ZnH10C2(Se2N)2",
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"updated_at": "2021-11-28T01:36:26.604000Z",
"spacegroup": 33
},
{
"id": "mp-686607",
"created_at": "2022-09-04T14:44:58.301664Z",
"structure_string": "K15 Nd7 Zr9 P24 O96\n1.0\n10.630374 0.055468 -0.006499\n0.055222 10.595152 0.003392\n-0.013039 0.006700 21.193402\nK Nd Zr P O\n15 7 9 24 96\ndirect\n0.069199 0.427775 0.285604 K\n0.062808 0.433394 0.783518 K\n0.202431 0.798789 0.149829 K\n0.201485 0.798957 0.648861 K\n0.297868 0.202165 0.899496 K\n0.437344 0.566482 0.033668 K\n0.433347 0.568213 0.534103 K\n0.573105 0.068268 0.216816 K\n0.574785 0.069157 0.716682 K\n0.701846 0.699982 0.851742 K\n0.701360 0.703080 0.350560 K\n0.799581 0.298267 0.601881 K\n0.798107 0.297929 0.100971 K\n0.928915 0.931814 0.466033 K\n0.925457 0.930979 0.966922 K\n0.581122 0.915092 0.541636 Nd\n0.580040 0.917241 0.042686 Nd\n0.648436 0.342474 0.923592 Nd\n0.851085 0.656403 0.672428 Nd\n0.851031 0.655208 0.175135 Nd\n0.922871 0.081591 0.292430 Nd\n0.920361 0.082553 0.792174 Nd\n0.087883 0.580071 0.458887 Zr\n0.084851 0.582623 0.959612 Zr\n0.151428 0.144891 0.073830 Zr\n0.150452 0.147834 0.570035 Zr\n0.350380 0.860666 0.324808 Zr\n0.348385 0.854801 0.823362 Zr\n0.414405 0.416064 0.210216 Zr\n0.416219 0.416465 0.708382 Zr\n0.638976 0.350288 0.425873 Zr\n0.043506 0.759994 0.318480 P\n0.040326 0.759906 0.817930 P\n0.132401 0.460325 0.115664 P\n0.133294 0.460297 0.615355 P\n0.242312 0.128765 0.230209 P\n0.242277 0.129224 0.729110 P\n0.256567 0.869240 0.480881 P\n0.257591 0.870669 0.980613 P\n0.367157 0.539086 0.864906 P\n0.374582 0.539345 0.366771 P\n0.459278 0.240042 0.068463 P\n0.462288 0.242624 0.564959 P\n0.525844 0.731731 0.693052 P\n0.525246 0.731852 0.193806 P\n0.622768 0.036152 0.380582 P\n0.616425 0.027539 0.878469 P\n0.725439 0.374663 0.269229 P\n0.729251 0.379156 0.763928 P\n0.770857 0.620483 0.014486 P\n0.768736 0.613008 0.512072 P\n0.885038 0.972313 0.628186 P\n0.883072 0.971817 0.128794 P\n0.961571 0.272094 0.441113 P\n0.974476 0.268140 0.943136 P\n0.012049 0.408116 0.431436 O\n0.015233 0.407381 0.932491 O\n0.031219 0.538867 0.148713 O\n0.032899 0.539688 0.648552 O\n0.036156 0.669523 0.376339 O\n0.031289 0.671397 0.876206 O\n0.037761 0.209348 0.495814 O\n0.067521 0.207543 0.991515 O\n0.091118 0.319653 0.112801 O\n0.092323 0.319845 0.612632 O\n0.111988 0.166070 0.254027 O\n0.113119 0.167029 0.755033 O\n0.157185 0.511181 0.047528 O\n0.157246 0.511081 0.547289 O\n0.182777 0.770692 0.295870 O\n0.179846 0.769019 0.795026 O\n0.166567 0.755076 0.487959 O\n0.167663 0.756519 0.986065 O\n0.199245 0.978973 0.021514 O\n0.197719 0.979941 0.520387 O\n0.234836 0.083427 0.159888 O\n0.234064 0.084642 0.659022 O\n0.255170 0.471598 0.155257 O\n0.256658 0.470662 0.654360 O\n0.254785 0.528247 0.408141 O\n0.244049 0.528578 0.904091 O\n0.263494 0.908476 0.410458 O\n0.264615 0.916508 0.910516 O\n0.300901 0.021126 0.770568 O\n0.300084 0.017897 0.269207 O\n0.333508 0.243041 0.734132 O\n0.332473 0.242642 0.234572 O\n0.319856 0.231372 0.045317 O\n0.321520 0.234041 0.545024 O\n0.349665 0.487076 0.299363 O\n0.343724 0.488797 0.796457 O\n0.387748 0.833335 0.005259 O\n0.386717 0.833226 0.506417 O\n0.408456 0.680061 0.862505 O\n0.415787 0.679911 0.363311 O\n0.435046 0.792923 0.243330 O\n0.432993 0.792550 0.741389 O\n0.469183 0.328948 0.126571 O\n0.475687 0.334042 0.622018 O\n0.467245 0.459610 0.898362 O\n0.480584 0.460795 0.399292 O\n0.484000 0.592632 0.183145 O\n0.484731 0.592777 0.682246 O\n0.507441 0.108024 0.086944 O\n0.513190 0.111724 0.582940 O\n0.509050 0.959746 0.353558 O\n0.514306 0.934154 0.852601 O\n0.508295 0.805761 0.131865 O\n0.510210 0.805677 0.631039 O\n0.537325 0.301099 0.015982 O\n0.541150 0.302315 0.510494 O\n0.587881 0.179836 0.383977 O\n0.559530 0.162200 0.876218 O\n0.587454 0.356414 0.245429 O\n0.587866 0.358792 0.744261 O\n0.655960 0.988822 0.446861 O\n0.652170 0.990972 0.946340 O\n0.661328 0.736999 0.718075 O\n0.661054 0.737594 0.218468 O\n0.701703 0.748295 0.009290 O\n0.693399 0.736843 0.504487 O\n0.706840 0.515217 0.467032 O\n0.708402 0.529038 0.968315 O\n0.719826 0.410916 0.340809 O\n0.733296 0.431229 0.831775 O\n0.732694 0.013763 0.335256 O\n0.731374 0.013443 0.835067 O\n0.768460 0.986540 0.085100 O\n0.770013 0.984967 0.584340 O\n0.766562 0.568157 0.082551 O\n0.764552 0.563439 0.580323 O\n0.789359 0.480533 0.232580 O\n0.791289 0.470850 0.717751 O\n0.799235 0.251628 0.259295 O\n0.798241 0.251317 0.758699 O\n0.819163 0.276960 0.459397 O\n0.839331 0.262363 0.968472 O\n0.847230 0.009936 0.196359 O\n0.848085 0.009601 0.695795 O\n0.908443 0.634588 0.492055 O\n0.912233 0.640530 0.994979 O\n0.940548 0.836929 0.626285 O\n0.938440 0.836405 0.127466 O\n0.965175 0.699131 0.266178 O\n0.962276 0.699034 0.765313 O\n0.980918 0.194654 0.381450 O\n0.990352 0.194457 0.881145 O\n0.985493 0.064415 0.102630 O\n0.987638 0.064896 0.602980 O\n0.992125 0.890317 0.337677 O\n0.992459 0.891885 0.836576 O\n",
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],
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"updated_at": "2021-11-28T01:36:44.252000Z",
"spacegroup": 1
}
]
}