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{
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{
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"structure_string": "Ba4 Sr4 Y4 Sb4 O24\n1.0\n8.454919 0.000000 0.000000\n0.000000 8.448144 0.000000\n0.000000 0.000000 8.447016\nBa Sr Y Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.252209 0.250519 0.250526 Y\n0.747791 0.749481 0.250526 Y\n0.747791 0.250519 0.749474 Y\n0.252209 0.749481 0.749474 Y\n0.746717 0.749200 0.750132 Sb\n0.253283 0.250800 0.750132 Sb\n0.253283 0.749200 0.249868 Sb\n0.746717 0.250800 0.249868 Sb\n0.984844 0.229939 0.268805 O\n0.015156 0.770061 0.268805 O\n0.015156 0.229939 0.731195 O\n0.984844 0.770061 0.731195 O\n0.279032 0.986190 0.224540 O\n0.279032 0.013810 0.775460 O\n0.720968 0.013810 0.224540 O\n0.720968 0.986190 0.775460 O\n0.233244 0.272320 0.986888 O\n0.766756 0.272320 0.013112 O\n0.233244 0.727680 0.013112 O\n0.766756 0.727680 0.986888 O\n0.512473 0.281901 0.222808 O\n0.487527 0.718099 0.222808 O\n0.487527 0.281901 0.777192 O\n0.512473 0.718099 0.777192 O\n0.225550 0.513692 0.281783 O\n0.225550 0.486308 0.718217 O\n0.774450 0.486308 0.281783 O\n0.774450 0.513692 0.718217 O\n0.280856 0.220934 0.514481 O\n0.719144 0.220934 0.485519 O\n0.280856 0.779066 0.485519 O\n0.719144 0.779066 0.514481 O\n",
"nsites": 40,
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"formula_full": "Ba4 Sr4 Y4 Sb4 O24",
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"spacegroup": 16
},
{
"id": "mp-1111013",
"created_at": "2022-09-04T14:42:29.455852Z",
"structure_string": "K1 Na2 Ga1 F6\n1.0\n0.000000 4.373142 4.373142\n4.373142 0.000000 4.373142\n4.373142 4.373142 0.000000\nK Na Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Ga\n0.218909 0.218909 0.781091 F\n0.218909 0.781091 0.781091 F\n0.781091 0.781091 0.218909 F\n0.218909 0.781091 0.218909 F\n0.781091 0.218909 0.781091 F\n0.781091 0.218909 0.218909 F\n",
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{
"id": "mp-1202225",
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"structure_string": "Mg8 S8 O48\n1.0\n9.525563 0.000000 0.000000\n0.000000 9.942972 0.000000\n0.000000 0.000000 11.194459\nMg S O\n8 8 48\ndirect\n0.815366 0.588497 0.516179 Mg\n0.684634 0.411503 0.016179 Mg\n0.184634 0.088497 0.983821 Mg\n0.315366 0.911503 0.483821 Mg\n0.642984 0.067811 0.758615 Mg\n0.857016 0.932189 0.258615 Mg\n0.357016 0.567811 0.741385 Mg\n0.142984 0.432189 0.241385 Mg\n0.669861 0.886234 0.513497 S\n0.830139 0.113766 0.013497 S\n0.330139 0.386234 0.986503 S\n0.169861 0.613766 0.486503 S\n0.667064 0.402846 0.724640 S\n0.832936 0.597154 0.224640 S\n0.332936 0.902846 0.775360 S\n0.167064 0.097154 0.275360 S\n0.520619 0.903413 0.480252 O\n0.979381 0.096587 0.980252 O\n0.479381 0.403413 0.019748 O\n0.020619 0.596587 0.519748 O\n0.705651 0.975842 0.614240 O\n0.794349 0.024158 0.114240 O\n0.294349 0.475842 0.885760 O\n0.205651 0.524158 0.385760 O\n0.759419 0.921964 0.410634 O\n0.740581 0.078036 0.910634 O\n0.240581 0.421964 0.089366 O\n0.259419 0.578036 0.589366 O\n0.696089 0.745006 0.549567 O\n0.803911 0.254994 0.049567 O\n0.303911 0.245006 0.950433 O\n0.196089 0.754994 0.450433 O\n0.769091 0.452013 0.635084 O\n0.730909 0.547987 0.135084 O\n0.230909 0.952013 0.864916 O\n0.269091 0.047987 0.364916 O\n0.532204 0.474066 0.708349 O\n0.967796 0.525934 0.208349 O\n0.467796 0.974066 0.791651 O\n0.032204 0.025934 0.291651 O\n0.724118 0.429931 0.845394 O\n0.775882 0.570069 0.345394 O\n0.275882 0.929931 0.654606 O\n0.224118 0.070069 0.154606 O\n0.645811 0.256805 0.707303 O\n0.854189 0.743195 0.207303 O\n0.354189 0.756805 0.792697 O\n0.145811 0.243195 0.292697 O\n0.783824 0.257338 0.422195 O\n0.716176 0.742662 0.922195 O\n0.216176 0.757338 0.077805 O\n0.283824 0.242662 0.577805 O\n0.511815 0.427765 0.442451 O\n0.988185 0.572235 0.942451 O\n0.488185 0.927765 0.057549 O\n0.011815 0.072235 0.557549 O\n0.989841 0.077757 0.665760 O\n0.510159 0.922243 0.165760 O\n0.010159 0.577757 0.834240 O\n0.489841 0.422243 0.334240 O\n0.743452 0.779441 0.819718 O\n0.756548 0.220559 0.319718 O\n0.256548 0.279441 0.680282 O\n0.243452 0.720559 0.180282 O\n",
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},
{
"id": "mp-1042502",
"created_at": "2022-09-04T14:42:43.786729Z",
"structure_string": "Ca8 Ti16 Co8 O56\n1.0\n14.700440 0.000000 0.000000\n0.000000 7.025555 0.000000\n0.000000 2.670647 10.844932\nCa Ti Co O\n8 16 8 56\ndirect\n0.505445 0.933378 0.730129 Ca\n0.878390 0.672532 0.974283 Ca\n0.378390 0.327468 0.525717 Ca\n0.121610 0.327468 0.025717 Ca\n0.621610 0.672532 0.474283 Ca\n0.994555 0.933378 0.230129 Ca\n0.494555 0.066622 0.269871 Ca\n0.005445 0.066622 0.769871 Ca\n0.865469 0.163965 0.976738 Ti\n0.011357 0.587977 0.687851 Ti\n0.488643 0.587977 0.187851 Ti\n0.988643 0.412023 0.312149 Ti\n0.711958 0.493960 0.793191 Ti\n0.211958 0.506040 0.706809 Ti\n0.288042 0.506040 0.206809 Ti\n0.788042 0.493960 0.293191 Ti\n0.511357 0.412023 0.812149 Ti\n0.142199 0.127129 0.471828 Ti\n0.642199 0.872871 0.028172 Ti\n0.857801 0.872871 0.528172 Ti\n0.365469 0.836035 0.523262 Ti\n0.634531 0.163965 0.476738 Ti\n0.134531 0.836035 0.023262 Ti\n0.357801 0.127129 0.971828 Ti\n0.671057 0.378148 0.080997 Co\n0.171057 0.621852 0.419003 Co\n0.328943 0.621852 0.919003 Co\n0.828943 0.378148 0.580997 Co\n0.756630 0.994056 0.251040 Co\n0.256630 0.005944 0.248960 Co\n0.243370 0.005944 0.748960 Co\n0.743370 0.994056 0.751040 Co\n0.982209 0.221393 0.960700 O\n0.482209 0.778607 0.539300 O\n0.017791 0.778607 0.039300 O\n0.517791 0.221393 0.460700 O\n0.847343 0.007763 0.867910 O\n0.347343 0.992237 0.632090 O\n0.152657 0.992237 0.132090 O\n0.652657 0.007763 0.367910 O\n0.850362 0.996785 0.131346 O\n0.350362 0.003215 0.368654 O\n0.149638 0.003215 0.868654 O\n0.649638 0.996785 0.631346 O\n0.285154 0.356521 0.935912 O\n0.785154 0.643479 0.564088 O\n0.714846 0.643479 0.064088 O\n0.214846 0.356521 0.435912 O\n0.354435 0.016503 0.136162 O\n0.854435 0.983497 0.363838 O\n0.645565 0.983497 0.863838 O\n0.145565 0.016503 0.636162 O\n0.334368 0.924605 0.890908 O\n0.433005 0.618391 0.825564 O\n0.834368 0.075395 0.609092 O\n0.165632 0.924605 0.390908 O\n0.473927 0.275205 0.707589 O\n0.973927 0.724795 0.792411 O\n0.526073 0.724795 0.292411 O\n0.026073 0.275205 0.207589 O\n0.471281 0.216968 0.955953 O\n0.971281 0.783032 0.544047 O\n0.528719 0.783032 0.044047 O\n0.028719 0.216968 0.455953 O\n0.894928 0.570030 0.205847 O\n0.394928 0.429970 0.294153 O\n0.105072 0.429970 0.794153 O\n0.605072 0.570030 0.705847 O\n0.754717 0.295173 0.216628 O\n0.254717 0.704827 0.283372 O\n0.245283 0.704827 0.783372 O\n0.745283 0.295173 0.716628 O\n0.705933 0.388191 0.446991 O\n0.205933 0.611809 0.053009 O\n0.294067 0.611809 0.553009 O\n0.794067 0.388191 0.946991 O\n0.729624 0.734753 0.283210 O\n0.229624 0.265247 0.216790 O\n0.270376 0.265247 0.716790 O\n0.770376 0.734753 0.783210 O\n0.876724 0.410700 0.421460 O\n0.376724 0.589300 0.078540 O\n0.123276 0.589300 0.578540 O\n0.623276 0.410700 0.921460 O\n0.066995 0.618391 0.325564 O\n0.566995 0.381609 0.174436 O\n0.933005 0.381609 0.674436 O\n0.665632 0.075395 0.109092 O\n",
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{
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"structure_string": "Cs24 Hg8 I40\n1.0\n10.400348 0.000000 0.000000\n0.000000 18.936097 0.000000\n0.000000 0.000000 19.339094\nCs Hg I\n24 8 40\ndirect\n0.913729 0.595027 0.101710 Cs\n0.927684 0.355757 0.311026 Cs\n0.913729 0.095027 0.398290 Cs\n0.413729 0.404973 0.398290 Cs\n0.586271 0.595027 0.601710 Cs\n0.427684 0.644243 0.188974 Cs\n0.427684 0.144243 0.311026 Cs\n0.083433 0.680185 0.428138 Cs\n0.583433 0.819815 0.428138 Cs\n0.086271 0.404973 0.898290 Cs\n0.583433 0.319815 0.071862 Cs\n0.916567 0.819815 0.928138 Cs\n0.072316 0.144243 0.811026 Cs\n0.083433 0.180185 0.071862 Cs\n0.416567 0.680185 0.928138 Cs\n0.072316 0.644243 0.688974 Cs\n0.572316 0.355757 0.811026 Cs\n0.586271 0.095027 0.898290 Cs\n0.086271 0.904973 0.601710 Cs\n0.927684 0.855757 0.188974 Cs\n0.572316 0.855757 0.688974 Cs\n0.416567 0.180185 0.571862 Cs\n0.413729 0.904973 0.101710 Cs\n0.916567 0.319815 0.571862 Cs\n0.808750 0.566157 0.843590 Hg\n0.808750 0.066157 0.656410 Hg\n0.691250 0.066157 0.156410 Hg\n0.691250 0.566157 0.343590 Hg\n0.191250 0.433843 0.156410 Hg\n0.308750 0.433843 0.656410 Hg\n0.191250 0.933843 0.343590 Hg\n0.308750 0.933843 0.843590 Hg\n0.329856 0.751786 0.570944 I\n0.332131 0.996728 0.452019 I\n0.363507 0.527920 0.769004 I\n0.452993 0.615107 0.403343 I\n0.636493 0.972080 0.269004 I\n0.332131 0.496728 0.047981 I\n0.863507 0.972080 0.769004 I\n0.670144 0.748214 0.070944 I\n0.452993 0.115107 0.096657 I\n0.170144 0.251786 0.429056 I\n0.667869 0.503272 0.952019 I\n0.863507 0.472080 0.730996 I\n0.667869 0.003272 0.547981 I\n0.952993 0.884893 0.403343 I\n0.136493 0.027920 0.230996 I\n0.363507 0.027920 0.730996 I\n0.832131 0.003272 0.047981 I\n0.047007 0.115107 0.596657 I\n0.799718 0.693140 0.288288 I\n0.136493 0.527920 0.269004 I\n0.829856 0.748214 0.570944 I\n0.952993 0.384893 0.096657 I\n0.670144 0.248214 0.429056 I\n0.799718 0.193140 0.211712 I\n0.200282 0.806860 0.788288 I\n0.167869 0.996728 0.952019 I\n0.047007 0.615107 0.903343 I\n0.167869 0.496728 0.547981 I\n0.299718 0.806860 0.288288 I\n0.299718 0.306860 0.211712 I\n0.832131 0.503272 0.452019 I\n0.329856 0.251786 0.929056 I\n0.636493 0.472080 0.230996 I\n0.829856 0.248214 0.929056 I\n0.547007 0.884893 0.903343 I\n0.170144 0.751786 0.070944 I\n0.547007 0.384893 0.596657 I\n0.700282 0.693140 0.788288 I\n0.200282 0.306860 0.711712 I\n0.700282 0.193140 0.711712 I\n",
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},
{
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