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{
"id": "mp-1043445",
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"structure_string": "Mn4 Zn4 Ge8 O24\n1.0\n5.405974 0.062601 1.281954\n1.541682 6.817422 0.575998\n-5.205013 -0.479845 12.744034\nMn Zn Ge O\n4 4 8 24\ndirect\n0.301637 0.897607 0.551539 Mn\n0.198328 0.102432 0.948598 Mn\n0.800852 0.897723 0.051203 Mn\n0.699202 0.101833 0.448890 Mn\n0.133029 0.234436 0.382741 Zn\n0.632331 0.234696 0.882651 Zn\n0.366820 0.765610 0.117253 Zn\n0.867641 0.765200 0.617314 Zn\n0.839252 0.390312 0.109299 Ge\n0.339690 0.390219 0.609324 Ge\n0.075014 0.781220 0.304959 Ge\n0.575050 0.781209 0.805027 Ge\n0.660687 0.609695 0.390707 Ge\n0.160507 0.609764 0.890624 Ge\n0.424871 0.218884 0.195011 Ge\n0.925076 0.218857 0.695029 Ge\n0.698480 0.314514 0.204661 O\n0.198678 0.314585 0.704724 O\n0.349124 0.590385 0.342650 O\n0.848836 0.590296 0.842835 O\n0.801558 0.685449 0.295350 O\n0.301551 0.685376 0.795251 O\n0.150909 0.409733 0.157184 O\n0.651296 0.409795 0.657171 O\n0.418107 0.140648 0.313697 O\n0.917551 0.140681 0.813641 O\n0.825614 0.372293 0.429745 O\n0.324993 0.372346 0.929666 O\n0.081751 0.859399 0.186240 O\n0.582604 0.859330 0.686400 O\n0.674216 0.627674 0.070254 O\n0.175042 0.627677 0.570335 O\n0.865974 0.203200 0.017683 O\n0.366668 0.202954 0.517869 O\n0.050331 0.964253 0.398578 O\n0.549805 0.964428 0.898506 O\n0.633852 0.796789 0.482323 O\n0.133351 0.797041 0.982108 O\n0.449635 0.035805 0.101438 O\n0.950087 0.035652 0.601522 O\n",
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"formula_full": "Mn4 Zn4 Ge8 O24",
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{
"id": "mp-8411",
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"structure_string": "Na4 Ag2 As2\n1.0\n3.707806 -4.453001 0.000000\n3.707806 4.453001 0.000000\n0.000000 0.000000 5.706198\nNa Ag As\n4 2 2\ndirect\n0.030805 0.674998 0.250000 Na\n0.969195 0.325002 0.750000 Na\n0.674998 0.030805 0.250000 Na\n0.325002 0.969195 0.750000 Na\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.787979 0.787979 0.750000 As\n0.212021 0.212021 0.250000 As\n",
"nsites": 8,
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],
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"density": 4.032090592384096,
"density_atomic": 0.042456418793957604,
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"formula_full": "Na4 Ag2 As2",
"formula_reduced": "Na2AgAs",
"formula_anonymous": "ABC2",
"energy": -23.32913163,
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"updated_at": "2021-11-28T01:34:44.970000Z",
"spacegroup": 63
},
{
"id": "mp-1238726",
"created_at": "2022-09-04T14:39:59.944679Z",
"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.554240 0.000000 0.000000\n0.000000 10.779564 0.000000\n0.000000 0.094968 10.841407\nRb Cd S O\n8 8 12 48\ndirect\n0.946631 0.823512 0.055442 Rb\n0.446631 0.176488 0.944558 Rb\n0.833628 0.330382 0.432978 Rb\n0.333628 0.669618 0.567022 Rb\n0.220589 0.430191 0.171617 Rb\n0.720589 0.569809 0.828383 Rb\n0.615373 0.927258 0.293442 Rb\n0.115373 0.072742 0.706558 Rb\n0.807931 0.178801 0.077806 Cd\n0.307931 0.821199 0.922194 Cd\n0.994477 0.670109 0.437600 Cd\n0.494477 0.329891 0.562400 Cd\n0.570783 0.585350 0.165570 Cd\n0.070783 0.414650 0.834430 Cd\n0.225429 0.081656 0.332563 Cd\n0.725429 0.918344 0.667437 Cd\n0.672773 0.626251 0.487633 S\n0.172773 0.373749 0.512367 S\n0.887093 0.469914 0.123185 S\n0.387093 0.530086 0.876815 S\n0.919693 0.961144 0.375092 S\n0.419693 0.038856 0.624908 S\n0.264882 0.755405 0.228698 S\n0.764882 0.244595 0.771302 S\n0.622447 0.874925 0.978909 S\n0.122447 0.125075 0.021091 S\n0.021841 0.744236 0.748046 S\n0.521841 0.255764 0.251954 S\n0.911144 0.828930 0.328591 O\n0.411144 0.171070 0.671409 O\n0.072317 0.723995 0.620544 O\n0.572317 0.276005 0.379456 O\n0.808845 0.583838 0.498713 O\n0.308845 0.416162 0.501287 O\n0.290491 0.890176 0.253792 O\n0.790491 0.109824 0.746208 O\n0.486371 0.911758 0.998983 O\n0.986371 0.088242 0.001017 O\n0.212616 0.746917 0.100625 O\n0.712616 0.253083 0.899375 O\n0.642041 0.838727 0.847796 O\n0.142041 0.161273 0.152204 O\n0.875736 0.340116 0.184634 O\n0.375736 0.659884 0.815366 O\n0.503057 0.375507 0.186332 O\n0.003057 0.624493 0.813668 O\n0.408785 0.858710 0.423601 O\n0.908785 0.141290 0.576399 O\n0.114236 0.823844 0.815520 O\n0.614236 0.176156 0.184480 O\n0.642355 0.650716 0.355863 O\n0.142355 0.349284 0.644137 O\n0.877553 0.044797 0.275188 O\n0.377553 0.955203 0.724812 O\n0.752248 0.511835 0.089942 O\n0.252248 0.488165 0.910058 O\n0.051201 0.987284 0.416559 O\n0.551201 0.012716 0.583441 O\n0.830725 0.969511 0.482609 O\n0.330725 0.030489 0.517391 O\n0.652727 0.740061 0.560810 O\n0.152727 0.259939 0.439190 O\n0.383570 0.683424 0.242331 O\n0.883570 0.316576 0.757669 O\n0.590462 0.526132 0.540148 O\n0.090462 0.473868 0.459852 O\n0.705106 0.980587 0.012964 O\n0.205106 0.019413 0.987036 O\n0.169651 0.702194 0.315531 O\n0.669651 0.297806 0.684469 O\n0.948005 0.445562 0.998768 O\n0.448005 0.554438 0.001232 O\n0.898348 0.810639 0.744535 O\n0.398348 0.189361 0.255465 O\n0.655040 0.766848 0.060361 O\n0.155040 0.233152 0.939639 O\n",
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"elements": [
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],
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"formula_full": "Rb8 Cd8 S12 O48",
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{
"id": "mp-17234",
"created_at": "2022-09-04T14:39:59.961928Z",
"structure_string": "K4 Ti4 P8 O28\n1.0\n10.442528 0.000000 0.000000\n0.000000 7.520289 0.000000\n0.000000 2.370117 7.950075\nK Ti P O\n4 4 8 28\ndirect\n0.175565 0.180635 0.440853 K\n0.675565 0.819365 0.059147 K\n0.824435 0.819365 0.559147 K\n0.324435 0.180635 0.940853 K\n0.101629 0.764082 0.259561 Ti\n0.601629 0.235918 0.240439 Ti\n0.898371 0.235918 0.740439 Ti\n0.398371 0.764082 0.759561 Ti\n0.402220 0.866643 0.326450 P\n0.902220 0.133357 0.173550 P\n0.597780 0.133357 0.673550 P\n0.097780 0.866643 0.826450 P\n0.361240 0.556274 0.189856 P\n0.861240 0.443726 0.310144 P\n0.638760 0.443726 0.810144 P\n0.138760 0.556274 0.689856 P\n0.408537 0.849742 0.513548 O\n0.908537 0.150258 0.986452 O\n0.591463 0.150258 0.486452 O\n0.091463 0.849742 0.013548 O\n0.267956 0.921753 0.253864 O\n0.767956 0.078247 0.246136 O\n0.732044 0.078247 0.746136 O\n0.232044 0.921753 0.753864 O\n0.004410 0.004254 0.275886 O\n0.504410 0.995746 0.224114 O\n0.995590 0.995746 0.724114 O\n0.495590 0.004254 0.775886 O\n0.435842 0.661377 0.309842 O\n0.935842 0.338623 0.190158 O\n0.564158 0.338623 0.690158 O\n0.064158 0.661377 0.809842 O\n0.280873 0.544278 0.738051 O\n0.780873 0.455722 0.761949 O\n0.719127 0.455722 0.261949 O\n0.219127 0.544278 0.238052 O\n0.579748 0.636609 0.771264 O\n0.079748 0.363391 0.728736 O\n0.420252 0.363391 0.228736 O\n0.920252 0.636609 0.271264 O\n0.388411 0.676376 0.009498 O\n0.888411 0.323624 0.490502 O\n0.611589 0.323624 0.990502 O\n0.111589 0.676376 0.509498 O\n",
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{
"id": "mp-1205247",
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"structure_string": "Mo24 S24 F96\n1.0\n0.000000 -8.745967 0.000000\n-11.593790 0.000000 0.000000\n0.000000 0.000000 -29.125810\nMo S F\n24 24 96\ndirect\n0.459281 0.100154 0.910594 Mo\n0.540719 0.899846 0.410594 Mo\n0.459281 0.399846 0.410594 Mo\n0.540719 0.600154 0.910594 Mo\n0.379687 0.239133 0.045201 Mo\n0.620313 0.760867 0.545201 Mo\n0.379687 0.260867 0.545201 Mo\n0.620313 0.739133 0.045201 Mo\n0.123367 0.509697 0.979001 Mo\n0.876633 0.490303 0.479001 Mo\n0.123367 0.990303 0.479001 Mo\n0.876633 0.009697 0.979001 Mo\n0.051847 0.920593 0.794605 Mo\n0.948153 0.079407 0.294605 Mo\n0.051847 0.579407 0.294605 Mo\n0.948153 0.420593 0.794605 Mo\n0.914001 0.052959 0.660597 Mo\n0.085999 0.947041 0.160597 Mo\n0.914001 0.447041 0.160597 Mo\n0.085999 0.552959 0.660597 Mo\n0.562988 0.267220 0.726241 Mo\n0.437012 0.732780 0.226241 Mo\n0.562988 0.232780 0.226241 Mo\n0.437012 0.767220 0.726241 Mo\n0.543881 0.005491 0.855303 S\n0.456119 0.994509 0.355303 S\n0.543881 0.494509 0.355303 S\n0.456119 0.505491 0.855303 S\n0.467928 0.084917 0.071164 S\n0.532072 0.915083 0.571164 S\n0.467928 0.415083 0.571164 S\n0.532072 0.584917 0.071164 S\n0.921965 0.431499 0.002314 S\n0.078035 0.568501 0.502314 S\n0.921965 0.068501 0.502314 S\n0.078035 0.931499 0.002314 S\n0.117386 0.824095 0.851947 S\n0.882614 0.175905 0.351947 S\n0.117386 0.675905 0.351947 S\n0.882614 0.324095 0.851947 S\n0.087981 0.962574 0.626937 S\n0.912019 0.037426 0.126937 S\n0.087981 0.537426 0.126937 S\n0.912019 0.462574 0.626937 S\n0.357421 0.184999 0.710567 S\n0.642579 0.815001 0.210567 S\n0.357421 0.315001 0.210567 S\n0.642579 0.684999 0.710567 S\n0.634183 0.092538 0.952619 F\n0.365817 0.907462 0.452619 F\n0.634183 0.407462 0.452619 F\n0.365817 0.592538 0.952619 F\n0.371379 0.983240 0.947351 F\n0.628621 0.016760 0.447351 F\n0.371379 0.516760 0.447351 F\n0.628621 0.483241 0.947351 F\n0.263438 0.141562 0.889941 F\n0.736562 0.858438 0.389941 F\n0.263438 0.358438 0.389941 F\n0.736562 0.641562 0.889941 F\n0.528475 0.251262 0.897911 F\n0.471525 0.748738 0.397911 F\n0.528475 0.248738 0.397911 F\n0.471525 0.751262 0.897911 F\n0.363262 0.203077 0.980130 F\n0.636738 0.796923 0.480130 F\n0.363262 0.296923 0.480130 F\n0.636738 0.703077 0.980130 F\n0.558122 0.321644 0.029928 F\n0.441878 0.678356 0.529928 F\n0.558122 0.178356 0.529928 F\n0.441878 0.821644 0.029928 F\n0.362955 0.329501 0.099077 F\n0.637045 0.670499 0.599077 F\n0.362955 0.170499 0.599077 F\n0.637045 0.829501 0.099077 F\n0.166280 0.212280 0.048042 F\n0.833720 0.787720 0.548042 F\n0.166280 0.287720 0.548042 F\n0.833720 0.712280 0.048042 F\n0.273897 0.418809 0.013187 F\n0.726103 0.581191 0.513187 F\n0.273897 0.081191 0.513187 F\n0.726103 0.918809 0.013187 F\n0.161241 0.624439 0.023681 F\n0.838759 0.375561 0.523681 F\n0.161241 0.875561 0.523681 F\n0.838759 0.124439 0.023681 F\n0.047252 0.624669 0.939582 F\n0.952748 0.375331 0.439582 F\n0.047252 0.875331 0.439582 F\n0.952748 0.124669 0.939582 F\n0.173032 0.417527 0.927690 F\n0.826968 0.582473 0.427690 F\n0.173032 0.082473 0.427690 F\n0.826968 0.917527 0.927690 F\n0.896616 0.828000 0.769034 F\n0.103384 0.172000 0.269034 F\n0.896616 0.672000 0.269034 F\n0.103384 0.328000 0.769034 F\n0.186253 0.856597 0.747384 F\n0.813747 0.143403 0.247384 F\n0.186253 0.643403 0.247384 F\n0.813747 0.356597 0.747384 F\n0.191793 0.044775 0.795083 F\n0.808207 0.955225 0.295083 F\n0.191793 0.455225 0.295083 F\n0.808207 0.544775 0.795083 F\n0.902814 0.019548 0.819610 F\n0.097186 0.980452 0.319610 F\n0.902814 0.480452 0.319610 F\n0.097186 0.519548 0.819610 F\n0.972746 0.029239 0.724369 F\n0.027254 0.970761 0.224369 F\n0.972746 0.470761 0.224369 F\n0.027254 0.529239 0.724369 F\n0.765511 0.936721 0.669206 F\n0.234489 0.063279 0.169206 F\n0.765511 0.563279 0.169206 F\n0.234489 0.436721 0.669206 F\n0.798384 0.109134 0.610664 F\n0.201616 0.890866 0.110664 F\n0.798384 0.390866 0.110664 F\n0.201616 0.609134 0.610664 F\n0.999687 0.201624 0.667135 F\n0.000313 0.798376 0.167135 F\n0.999687 0.298376 0.167135 F\n0.000313 0.701624 0.667135 F\n0.709171 0.155064 0.702833 F\n0.290829 0.844936 0.202833 F\n0.709171 0.344936 0.202833 F\n0.290829 0.655064 0.702833 F\n0.606171 0.208879 0.785467 F\n0.393829 0.791121 0.285467 F\n0.606171 0.291121 0.285467 F\n0.393829 0.708879 0.785467 F\n0.493117 0.405271 0.753202 F\n0.506883 0.594729 0.253202 F\n0.493117 0.094729 0.253202 F\n0.506883 0.905271 0.753202 F\n0.607355 0.352301 0.672244 F\n0.392645 0.647699 0.172244 F\n0.607355 0.147699 0.172244 F\n0.392645 0.852301 0.672244 F\n",
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{
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