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{
"id": "mp-1033559",
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"structure_string": "Rb1 Mg6 C1 O8\n1.0\n8.996657 0.000000 0.000000\n-0.000000 4.389021 0.000000\n0.000000 0.000000 4.389021\nRb Mg C O\n1 6 1 8\ndirect\n-0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262337 -0.000000 0.500000 Mg\n0.737663 0.000000 0.500000 Mg\n0.262337 0.500000 -0.000000 Mg\n0.737663 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 C\n0.279744 0.000000 0.000000 O\n0.720256 -0.000000 -0.000000 O\n0.250937 0.500000 0.500000 O\n0.749063 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1190502",
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"structure_string": "Rb2 Dy4 Ag6 Te10\n1.0\n4.578284 0.000000 0.000000\n-2.289142 8.159978 0.000000\n0.000000 0.000000 18.501492\nRb Dy Ag Te\n2 4 6 10\ndirect\n0.442520 0.885040 0.250000 Rb\n0.557480 0.114960 0.750000 Rb\n0.308915 0.617830 0.905427 Dy\n0.691085 0.382170 0.094573 Dy\n0.308915 0.617830 0.594573 Dy\n0.691085 0.382170 0.405427 Dy\n0.163764 0.327528 0.250000 Ag\n0.836236 0.672472 0.750000 Ag\n0.915770 0.831540 0.468081 Ag\n0.084230 0.168460 0.531919 Ag\n0.915770 0.831540 0.031919 Ag\n0.084230 0.168460 0.968081 Ag\n0.936958 0.873916 0.878676 Te\n0.063042 0.126084 0.121324 Te\n0.936958 0.873916 0.621324 Te\n0.063042 0.126084 0.378676 Te\n0.676795 0.353590 0.927965 Te\n0.323205 0.646410 0.072035 Te\n0.676795 0.353590 0.572035 Te\n0.323205 0.646410 0.427965 Te\n0.760703 0.521405 0.250000 Te\n0.239297 0.478595 0.750000 Te\n",
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"updated_at": "2021-11-28T01:34:45.208000Z",
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{
"id": "mp-555073",
"created_at": "2022-09-04T14:39:12.375328Z",
"structure_string": "La12 As8 Cl4 O28\n1.0\n13.095646 0.000000 0.000000\n0.000000 13.095646 0.000000\n0.000000 0.000000 5.645131\nLa As Cl O\n12 8 4 28\ndirect\n0.731018 0.731018 0.000000 La\n0.363451 0.051836 0.500000 La\n0.768982 0.231018 0.500000 La\n0.231018 0.768982 0.500000 La\n0.948164 0.636549 0.500000 La\n0.136549 0.551836 0.000000 La\n0.268982 0.268982 0.000000 La\n0.448164 0.863451 0.000000 La\n0.051836 0.363451 0.500000 La\n0.636549 0.948164 0.500000 La\n0.551836 0.136549 0.000000 La\n0.863451 0.448164 0.000000 La\n0.980044 0.208618 0.000000 As\n0.519956 0.708618 0.500000 As\n0.291382 0.480044 0.500000 As\n0.791382 0.019956 0.000000 As\n0.019956 0.791382 0.000000 As\n0.708618 0.519956 0.500000 As\n0.208618 0.980044 0.000000 As\n0.480044 0.291382 0.500000 As\n0.167346 0.167346 0.500000 Cl\n0.667346 0.332654 0.000000 Cl\n0.832654 0.832654 0.500000 Cl\n0.332654 0.667346 0.000000 Cl\n0.776555 0.585058 0.261722 O\n0.709490 0.911127 0.000000 O\n0.223445 0.414942 0.738278 O\n0.411127 0.790510 0.500000 O\n0.776555 0.585058 0.738278 O\n0.290510 0.088873 0.000000 O\n0.585058 0.776555 0.738278 O\n0.276555 0.914942 0.238278 O\n0.723445 0.085058 0.761722 O\n0.085058 0.723445 0.238278 O\n0.414942 0.223445 0.261722 O\n0.585058 0.776555 0.261722 O\n0.723445 0.085058 0.238278 O\n0.223445 0.414942 0.261722 O\n0.914942 0.276555 0.238278 O\n0.790510 0.411127 0.500000 O\n0.000000 0.500000 0.250000 O\n0.588873 0.209490 0.500000 O\n0.276555 0.914942 0.761722 O\n0.085058 0.723445 0.761722 O\n0.414942 0.223445 0.738278 O\n0.209490 0.588873 0.500000 O\n0.914942 0.276555 0.761722 O\n0.911127 0.709490 0.000000 O\n0.088873 0.290510 0.000000 O\n0.000000 0.500000 0.750000 O\n0.500000 0.000000 0.750000 O\n0.500000 0.000000 0.250000 O\n",
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],
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"volume": 968.1170707367336,
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"formula_full": "La12 As8 Cl4 O28",
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{
"id": "mp-1197862",
"created_at": "2022-09-04T14:39:09.257141Z",
"structure_string": "Ca8 Y8 Si16 C4 O64\n1.0\n6.803721 0.000000 0.000000\n0.000000 13.151305 0.000000\n0.000000 0.000000 14.474730\nCa Y Si C O\n8 8 16 4 64\ndirect\n0.193739 0.073654 0.050204 Ca\n0.306261 0.426346 0.550204 Ca\n0.806261 0.573654 0.949796 Ca\n0.693739 0.926346 0.449796 Ca\n0.806261 0.926346 0.949796 Ca\n0.693739 0.573654 0.449796 Ca\n0.193739 0.426346 0.050204 Ca\n0.306261 0.073654 0.550204 Ca\n0.386901 0.060277 0.279886 Y\n0.113099 0.439723 0.779886 Y\n0.613099 0.560277 0.720114 Y\n0.886901 0.939723 0.220114 Y\n0.613099 0.939723 0.720114 Y\n0.886901 0.560277 0.220114 Y\n0.386901 0.439723 0.279886 Y\n0.113099 0.060277 0.779886 Y\n0.887935 0.130438 0.352649 Si\n0.612065 0.369562 0.852649 Si\n0.112065 0.630438 0.647351 Si\n0.387935 0.869562 0.147351 Si\n0.112065 0.869562 0.647351 Si\n0.387935 0.630438 0.147351 Si\n0.887935 0.369562 0.352649 Si\n0.612065 0.130438 0.852649 Si\n0.662918 0.131757 0.068385 Si\n0.837082 0.368243 0.568385 Si\n0.337082 0.631757 0.931615 Si\n0.162918 0.868243 0.431615 Si\n0.337082 0.868243 0.931615 Si\n0.162918 0.631757 0.431615 Si\n0.662918 0.368243 0.068385 Si\n0.837082 0.131757 0.568385 Si\n0.387725 0.250000 0.379153 C\n0.112275 0.250000 0.879153 C\n0.612275 0.750000 0.620847 C\n0.887725 0.750000 0.120847 C\n0.938762 0.111973 0.463910 O\n0.561238 0.388027 0.963910 O\n0.061238 0.611973 0.536090 O\n0.438762 0.888027 0.036090 O\n0.061238 0.888027 0.536090 O\n0.438762 0.611973 0.036090 O\n0.938762 0.388027 0.463910 O\n0.561238 0.111973 0.963910 O\n0.705207 0.053840 0.328112 O\n0.794793 0.446160 0.828112 O\n0.294793 0.553840 0.671888 O\n0.205207 0.946160 0.171888 O\n0.294793 0.946160 0.671888 O\n0.205207 0.553840 0.171888 O\n0.705207 0.446160 0.328112 O\n0.794793 0.053840 0.828112 O\n0.061834 0.091727 0.285186 O\n0.438166 0.408273 0.785186 O\n0.938166 0.591727 0.714814 O\n0.561834 0.908273 0.214814 O\n0.938166 0.908273 0.714814 O\n0.561834 0.591727 0.214814 O\n0.061834 0.408273 0.285186 O\n0.438166 0.091727 0.785186 O\n0.830635 0.250000 0.338378 O\n0.669365 0.250000 0.838378 O\n0.169365 0.750000 0.661622 O\n0.330635 0.750000 0.161622 O\n0.843943 0.051156 0.081821 O\n0.656057 0.448844 0.581821 O\n0.156057 0.551156 0.918179 O\n0.343943 0.948844 0.418179 O\n0.156057 0.948844 0.918179 O\n0.343943 0.551156 0.418179 O\n0.843943 0.448844 0.081821 O\n0.656057 0.051156 0.581821 O\n0.476751 0.112202 0.136371 O\n0.023249 0.387798 0.636371 O\n0.523249 0.612202 0.863629 O\n0.976751 0.887798 0.363629 O\n0.523249 0.887798 0.863629 O\n0.976751 0.612202 0.363629 O\n0.476751 0.387798 0.136371 O\n0.023249 0.112202 0.636371 O\n0.743435 0.250000 0.072988 O\n0.756565 0.250000 0.572988 O\n0.256565 0.750000 0.927012 O\n0.243435 0.750000 0.427012 O\n0.381385 0.163578 0.421712 O\n0.118615 0.336422 0.921712 O\n0.618615 0.663578 0.578288 O\n0.881385 0.836422 0.078288 O\n0.618615 0.836422 0.578288 O\n0.881385 0.663578 0.078288 O\n0.381385 0.336422 0.421712 O\n0.118615 0.163578 0.921712 O\n0.399525 0.250000 0.290155 O\n0.100475 0.250000 0.790155 O\n0.600475 0.750000 0.709845 O\n0.899525 0.750000 0.209845 O\n0.154955 0.250000 0.103129 O\n0.345045 0.250000 0.603129 O\n0.845045 0.750000 0.896871 O\n0.654955 0.750000 0.396871 O\n",
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{
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{
"id": "mp-706815",
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"structure_string": "K1 Ba7 Al15 Si17 O64\n1.0\n8.753344 0.000000 0.000000\n-1.172437 -9.359010 0.000000\n-2.715934 0.019985 -18.712864\nK Ba Al Si O\n1 7 15 17 64\ndirect\n0.206889 0.923197 0.963203 K\n0.210372 0.947479 0.467536 Ba\n0.289157 0.579375 0.781547 Ba\n0.294908 0.584509 0.284283 Ba\n0.731010 0.434420 0.715208 Ba\n0.719082 0.432427 0.217837 Ba\n0.772367 0.082283 0.522958 Ba\n0.760098 0.047029 0.020323 Ba\n0.035783 0.450959 0.603126 Al\n0.534556 0.949185 0.853124 Al\n0.465276 0.050683 0.646711 Al\n0.398363 0.568345 0.101404 Al\n0.472780 0.293796 0.527677 Al\n0.602216 0.430465 0.898119 Al\n0.528391 0.948508 0.353028 Al\n0.461091 0.049419 0.146806 Al\n0.606978 0.428949 0.399117 Al\n0.966722 0.788896 0.779634 Al\n0.886976 0.704927 0.536736 Al\n0.907581 0.072232 0.854690 Al\n0.969444 0.793403 0.279503 Al\n0.890839 0.697128 0.035554 Al\n0.897885 0.072590 0.351306 Al\n0.099370 0.923830 0.648032 Si\n0.108350 0.297981 0.968516 Si\n0.040430 0.207306 0.723522 Si\n0.098439 0.921546 0.146849 Si\n0.038772 0.443990 0.106101 Si\n0.102757 0.299214 0.465570 Si\n0.037325 0.203011 0.221243 Si\n0.402951 0.572002 0.602123 Si\n0.401594 0.209610 0.783176 Si\n0.523732 0.709576 0.969687 Si\n0.397456 0.208433 0.284386 Si\n0.604552 0.793893 0.716296 Si\n0.526301 0.711320 0.470152 Si\n0.472334 0.292327 0.030978 Si\n0.602690 0.792132 0.215471 Si\n0.965426 0.549586 0.895352 Si\n0.965165 0.557363 0.395088 Si\n0.019185 0.626636 0.822518 O\n0.993207 0.870316 0.571417 O\n0.095036 0.433519 0.913490 O\n0.092313 0.808974 0.713021 O\n0.019966 0.323744 0.535217 O\n0.025130 0.070470 0.668631 O\n0.026335 0.636385 0.324197 O\n0.985948 0.860616 0.074174 O\n0.089013 0.437003 0.411202 O\n0.096602 0.811858 0.214230 O\n0.028539 0.331372 0.039776 O\n0.020619 0.068238 0.166254 O\n0.228042 0.537272 0.621625 O\n0.273795 0.964191 0.628077 O\n0.221722 0.249486 0.760779 O\n0.290785 0.275884 0.990659 O\n0.213831 0.521982 0.128870 O\n0.271355 0.966824 0.127958 O\n0.217626 0.248560 0.258515 O\n0.481286 0.858377 0.930231 O\n0.281284 0.266777 0.482456 O\n0.401268 0.075014 0.836551 O\n0.409053 0.679131 0.532395 O\n0.509299 0.582850 0.909615 O\n0.512790 0.818804 0.783995 O\n0.492388 0.362893 0.816750 O\n0.500401 0.647156 0.676963 O\n0.458415 0.847435 0.425692 O\n0.484780 0.183127 0.713400 O\n0.490420 0.433221 0.591722 O\n0.391907 0.073986 0.338818 O\n0.593787 0.318894 0.973030 O\n0.398831 0.673423 0.025674 O\n0.605415 0.930029 0.663639 O\n0.508403 0.577604 0.414635 O\n0.512463 0.822696 0.283370 O\n0.511249 0.131294 0.567875 O\n0.490517 0.361120 0.317624 O\n0.503728 0.640805 0.182338 O\n0.483868 0.177625 0.216078 O\n0.495284 0.416960 0.091934 O\n0.615661 0.316166 0.471438 O\n0.599200 0.926737 0.160521 O\n0.703082 0.759886 0.507274 O\n0.512371 0.142144 0.069799 O\n0.772817 0.738661 0.739449 O\n0.721522 0.034065 0.877971 O\n0.790359 0.466070 0.874347 O\n0.701846 0.740958 0.011905 O\n0.776317 0.747391 0.239360 O\n0.714915 0.032325 0.377049 O\n0.788193 0.480993 0.369361 O\n0.997321 0.924549 0.840615 O\n0.978821 0.659410 0.961347 O\n0.918154 0.188803 0.780636 O\n0.891766 0.563588 0.596425 O\n0.010712 0.151210 0.936677 O\n0.993642 0.349025 0.678893 O\n0.001199 0.929616 0.341596 O\n0.980017 0.667575 0.461791 O\n0.911141 0.187792 0.276404 O\n0.905715 0.550663 0.094981 O\n0.005710 0.151854 0.430486 O\n0.987228 0.344644 0.174313 O\n",
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{
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