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{
"id": "mp-676867",
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"structure_string": "Ca6 Ho3 F21\n1.0\n1.842487 3.890439 0.000000\n-1.842487 3.890439 0.000000\n0.000000 3.150640 30.172409\nCa Ho F\n6 3 21\ndirect\n0.985300 0.985300 0.002296 Ca\n0.692583 0.692583 0.088843 Ca\n0.110835 0.110835 0.211159 Ca\n0.526092 0.526092 0.333519 Ca\n0.097311 0.097311 0.454588 Ca\n0.476387 0.476387 0.876254 Ca\n0.826447 0.826447 0.549305 Ho\n0.390768 0.390768 0.658002 Ho\n0.953786 0.953786 0.766754 Ho\n0.011618 0.011618 0.094407 F\n0.694401 0.694401 0.164007 F\n0.413681 0.413681 0.221735 F\n0.112089 0.112089 0.286003 F\n0.784500 0.784500 0.469028 F\n0.830691 0.830691 0.343552 F\n0.536790 0.536790 0.407963 F\n0.326276 0.326276 0.585875 F\n0.447998 0.447998 0.504689 F\n0.119817 0.119817 0.531413 F\n0.874839 0.874839 0.694678 F\n0.979788 0.979788 0.611156 F\n0.403202 0.403202 0.804976 F\n0.667342 0.667342 0.636471 F\n0.536832 0.536832 0.720586 F\n0.224586 0.224586 0.743744 F\n0.014815 0.014815 0.934929 F\n0.075248 0.075248 0.831480 F\n0.766242 0.766242 0.882793 F\n0.663563 0.663563 0.010255 F\n0.338948 0.338948 0.050097 F\n",
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{
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"structure_string": "Si1 H12 C4 N10 F6\n1.0\n6.189200 0.000000 0.000000\n-2.485662 7.214662 0.000000\n-2.204574 -2.281313 6.980120\nSi H C N F\n1 12 4 10 6\ndirect\n0.000000 0.500000 0.000000 Si\n0.514955 0.443164 0.666193 H\n0.485045 0.556836 0.333807 H\n0.310047 0.509398 0.744084 H\n0.689953 0.490602 0.255916 H\n0.424715 0.883985 0.129255 H\n0.575285 0.116015 0.870745 H\n0.419075 0.074488 0.293835 H\n0.580925 0.925512 0.706165 H\n0.855724 0.327409 0.557070 H\n0.144276 0.672591 0.442930 H\n0.879077 0.906173 0.147184 H\n0.120923 0.093827 0.852816 H\n0.152978 0.284168 0.493886 C\n0.847022 0.715832 0.506114 C\n0.764394 0.093018 0.307988 C\n0.235606 0.906982 0.692012 C\n0.165459 0.147657 0.367404 N\n0.834541 0.852343 0.632596 N\n0.342404 0.441822 0.631909 N\n0.657596 0.558178 0.368091 N\n0.518889 0.018219 0.231415 N\n0.481111 0.981781 0.768585 N\n0.910547 0.255196 0.462084 N\n0.089453 0.744804 0.537916 N\n0.919039 0.031496 0.250483 N\n0.080961 0.968504 0.749517 N\n0.829728 0.443470 0.758601 F\n0.170272 0.556530 0.241399 F\n0.944350 0.705154 0.048304 F\n0.055650 0.294846 0.951696 F\n0.262281 0.630755 0.967489 F\n0.737719 0.369245 0.032511 F\n",
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"formula_full": "Si1 H12 C4 N10 F6",
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{
"id": "mp-571302",
"created_at": "2022-09-04T14:40:22.046744Z",
"structure_string": "Pr3 Al4 Si6\n1.0\n2.099040 -3.635645 0.000000\n2.099040 3.635645 0.000000\n0.000000 0.000000 18.047422\nPr Al Si\n3 4 6\ndirect\n0.000000 0.000000 0.388348 Pr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.611652 Pr\n0.333333 0.666667 0.246161 Al\n0.666667 0.333333 0.140895 Al\n0.333333 0.666667 0.859105 Al\n0.666667 0.333333 0.753839 Al\n0.333333 0.666667 0.104476 Si\n0.666667 0.333333 0.502611 Si\n0.333333 0.666667 0.497389 Si\n0.333333 0.666667 0.718604 Si\n0.666667 0.333333 0.895524 Si\n0.666667 0.333333 0.281396 Si\n",
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{
"id": "mp-644103",
"created_at": "2022-09-04T14:40:22.058960Z",
"structure_string": "Ca2 Si2 Sn2 O10\n1.0\n5.633261 0.000000 0.000000\n-1.561246 5.424201 0.000000\n-1.727956 -2.323566 6.662076\nCa Si Sn O\n2 2 2 10\ndirect\n0.839176 0.162882 0.245940 Ca\n0.160824 0.837118 0.754060 Ca\n0.817463 0.181451 0.749399 Si\n0.182537 0.818549 0.250601 Si\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.411090 0.589777 0.750625 O\n0.588910 0.410223 0.249375 O\n0.105879 0.241848 0.912892 O\n0.894121 0.758152 0.087108 O\n0.759771 0.892429 0.588624 O\n0.240229 0.107571 0.411376 O\n0.176770 0.602579 0.370643 O\n0.823230 0.397421 0.629357 O\n0.399312 0.824343 0.129928 O\n0.600688 0.175657 0.870072 O\n",
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"formula_full": "Ca2 Si2 Sn2 O10",
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{
"id": "mp-1038750",
"created_at": "2022-09-04T14:40:22.042503Z",
"structure_string": "Cs1 Mg30 Sb1 O32\n1.0\n8.723901 0.000000 0.000000\n0.000000 8.723901 0.000000\n0.000000 0.000000 8.799700\nCs Mg Sb O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.262231 0.247027 Mg\n0.000000 0.262231 0.752973 Mg\n0.000000 0.737769 0.247027 Mg\n0.000000 0.737769 0.752973 Mg\n0.500000 0.251863 0.249156 Mg\n0.500000 0.251863 0.750844 Mg\n0.500000 0.748137 0.249156 Mg\n0.500000 0.748137 0.750844 Mg\n0.262231 0.000000 0.247027 Mg\n0.262231 0.000000 0.752973 Mg\n0.251863 0.500000 0.249156 Mg\n0.251863 0.500000 0.750844 Mg\n0.737769 0.000000 0.247027 Mg\n0.737769 0.000000 0.752973 Mg\n0.748137 0.500000 0.249156 Mg\n0.748137 0.500000 0.750844 Mg\n0.255887 0.255887 0.000000 Mg\n0.256202 0.256202 0.500000 Mg\n0.255887 0.744113 0.000000 Mg\n0.256202 0.743798 0.500000 Mg\n0.744113 0.255887 0.000000 Mg\n0.743798 0.256202 0.500000 Mg\n0.744113 0.744113 0.000000 Mg\n0.743798 0.743798 0.500000 Mg\n0.000000 0.000000 0.500000 Sb\n0.285874 0.000000 0.000000 O\n0.266012 0.000000 0.500000 O\n0.257635 0.500000 0.000000 O\n0.253756 0.500000 0.500000 O\n0.714126 0.000000 0.000000 O\n0.733988 0.000000 0.500000 O\n0.742365 0.500000 0.000000 O\n0.746244 0.500000 0.500000 O\n0.249527 0.249527 0.250139 O\n0.249527 0.249527 0.749861 O\n0.249527 0.750473 0.250139 O\n0.249527 0.750473 0.749861 O\n0.750473 0.249527 0.250139 O\n0.750473 0.249527 0.749861 O\n0.750473 0.750473 0.250139 O\n0.750473 0.750473 0.749861 O\n0.000000 0.000000 0.269783 O\n0.000000 0.000000 0.730217 O\n0.000000 0.500000 0.256291 O\n0.000000 0.500000 0.743709 O\n0.500000 0.000000 0.256291 O\n0.500000 0.000000 0.743709 O\n0.500000 0.500000 0.252267 O\n0.500000 0.500000 0.747733 O\n0.000000 0.285874 0.000000 O\n0.000000 0.266012 0.500000 O\n0.000000 0.714126 0.000000 O\n0.000000 0.733988 0.500000 O\n0.500000 0.257635 0.000000 O\n0.500000 0.253756 0.500000 O\n0.500000 0.742365 0.000000 O\n0.500000 0.746244 0.500000 O\n",
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{
"id": "mp-1226805",
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"structure_string": "Ce3 Sn1 O8\n1.0\n3.814411 0.000000 0.000000\n0.000000 3.814411 0.000000\n0.000000 0.000000 10.824182\nCe Sn O\n3 1 8\ndirect\n0.500000 0.500000 0.754129 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.245871 Ce\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.372561 O\n0.000000 0.500000 0.116796 O\n0.500000 0.000000 0.883204 O\n0.000000 0.500000 0.627439 O\n0.500000 0.000000 0.116796 O\n0.000000 0.500000 0.883204 O\n0.500000 0.000000 0.627439 O\n0.000000 0.500000 0.372561 O\n",
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"formula_full": "Ce3 Sn1 O8",
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{
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{
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"structure_string": "Li1 Hf2 Ir1\n1.0\n0.000000 3.272295 3.272295\n3.272295 0.000000 3.272295\n3.272295 3.272295 0.000000\nLi Hf Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "mp-1247330",
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"structure_string": "Ca6 Mo6 N10\n1.0\n5.826096 -0.326287 0.003158\n-1.043887 7.202468 0.049643\n-1.854602 -2.743492 7.657434\nCa Mo N\n6 6 10\ndirect\n0.821438 0.453395 0.616741 Ca\n0.178562 0.546605 0.383259 Ca\n0.667892 0.837888 0.878758 Ca\n0.332108 0.162112 0.121242 Ca\n0.676747 0.645234 0.198469 Ca\n0.323253 0.354766 0.801531 Ca\n0.885103 0.318359 0.971782 Mo\n0.114897 0.681641 0.028218 Mo\n0.756797 0.991783 0.571752 Mo\n0.243203 0.008217 0.428248 Mo\n0.157282 0.886902 0.721476 Mo\n0.842718 0.113098 0.278524 Mo\n0.989922 0.086195 0.831447 N\n0.010078 0.913805 0.168553 N\n0.945663 0.780162 0.478012 N\n0.054337 0.219838 0.521988 N\n0.746574 0.526744 0.895324 N\n0.253426 0.473256 0.104676 N\n0.446557 0.871154 0.596715 N\n0.553443 0.128846 0.403285 N\n0.229684 0.684316 0.823864 N\n0.770316 0.315684 0.176136 N\n",
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{
"id": "mp-1210808",
"created_at": "2022-09-04T14:40:22.072196Z",
"structure_string": "Li2 B5 H5\n1.0\n-2.785786 -4.825123 0.000000\n2.785786 -4.825123 0.000000\n0.000000 -3.216749 5.641636\nLi B H\n2 5 5\ndirect\n0.493583 0.493583 0.519252 Li\n0.009236 0.009236 0.972293 Li\n0.827015 0.827015 0.518955 B\n0.643107 0.962143 0.751642 B\n0.643107 0.643107 0.751642 B\n0.962143 0.643107 0.751642 B\n0.671832 0.671832 0.984505 B\n0.507662 0.186695 0.797980 H\n0.507662 0.507662 0.797980 H\n0.186695 0.507662 0.797980 H\n0.897818 0.897818 0.306546 H\n0.601940 0.601940 0.194180 H\n",
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