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{
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{
"id": "mp-1046556",
"created_at": "2022-09-04T14:48:13.418649Z",
"structure_string": "Zn8 Cr10 Te6 O36\n1.0\n4.575255 7.433141 0.000000\n-4.575255 7.433141 0.000000\n0.000000 1.009656 10.525840\nZn Cr Te O\n8 10 6 36\ndirect\n0.348551 0.059858 0.066678 Zn\n0.377284 0.678149 0.963954 Zn\n0.940142 0.651449 0.433322 Zn\n0.321851 0.622716 0.536046 Zn\n0.678149 0.377284 0.463954 Zn\n0.059858 0.348551 0.566678 Zn\n0.651449 0.940142 0.933322 Zn\n0.622716 0.321851 0.036046 Zn\n0.315721 0.992155 0.728286 Cr\n0.992155 0.315721 0.228286 Cr\n0.146827 0.523288 0.041909 Cr\n0.523288 0.146827 0.541909 Cr\n0.476712 0.853173 0.458091 Cr\n0.828679 0.171321 0.750000 Cr\n0.171321 0.828679 0.250000 Cr\n0.853173 0.476712 0.958091 Cr\n0.684279 0.007845 0.271714 Cr\n0.007845 0.684279 0.771714 Cr\n0.665122 0.646041 0.707860 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.646041 0.665122 0.207860 Te\n0.334878 0.353959 0.292140 Te\n0.353959 0.334878 0.792140 Te\n0.944298 0.591136 0.622568 O\n0.250566 0.918855 0.563930 O\n0.412134 0.758408 0.312709 O\n0.931312 0.919940 0.179878 O\n0.081145 0.749434 0.936070 O\n0.080060 0.068688 0.320122 O\n0.612532 0.557241 0.042017 O\n0.892707 0.246011 0.576162 O\n0.107293 0.753989 0.423838 O\n0.221833 0.283024 0.139344 O\n0.431537 0.750829 0.795991 O\n0.778167 0.716976 0.860656 O\n0.749434 0.081145 0.436070 O\n0.540101 0.920916 0.617309 O\n0.249171 0.568463 0.704009 O\n0.387468 0.442759 0.957983 O\n0.568463 0.249171 0.204009 O\n0.079084 0.459899 0.882691 O\n0.241592 0.587866 0.187291 O\n0.750829 0.431537 0.295991 O\n0.591136 0.944298 0.122568 O\n0.459899 0.079084 0.382691 O\n0.753989 0.107293 0.923838 O\n0.557241 0.612532 0.542017 O\n0.587866 0.241592 0.687291 O\n0.919940 0.931312 0.679878 O\n0.283024 0.221833 0.639344 O\n0.442759 0.387468 0.457983 O\n0.918855 0.250566 0.063930 O\n0.920916 0.540101 0.117309 O\n0.055702 0.408864 0.377432 O\n0.068688 0.080060 0.820122 O\n0.246011 0.892707 0.076162 O\n0.716976 0.778167 0.360656 O\n0.758408 0.412134 0.812709 O\n0.408864 0.055702 0.877432 O\n",
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"formula_full": "Zn8 Cr10 Te6 O36",
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"spacegroup": 15
},
{
"id": "mp-1211097",
"created_at": "2022-09-04T14:48:13.450954Z",
"structure_string": "Li2 Fe2\n1.0\n0.000000 0.000000 2.376156\n4.527442 0.000000 -1.188078\n0.000000 4.560143 0.000000\nLi Fe\n2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.256643 0.513285 0.250000 Fe\n0.743357 0.486714 0.750000 Fe\n",
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"spacegroup": 63
},
{
"id": "mp-1195845",
"created_at": "2022-09-04T14:48:13.463802Z",
"structure_string": "K3 La3 H6 S6 O27\n1.0\n3.664280 -6.346719 0.000000\n3.664280 6.346719 0.000000\n0.000000 0.000000 13.332992\nK La H S O\n3 3 6 6 27\ndirect\n0.000000 0.447944 0.833333 K\n0.552056 0.552056 0.500000 K\n0.447944 0.000000 0.166667 K\n0.440989 0.000000 0.666667 La\n0.000000 0.440989 0.333333 La\n0.559011 0.559011 0.000000 La\n0.059700 0.083804 0.622080 H\n0.916196 0.975896 0.288747 H\n0.024104 0.940300 0.955414 H\n0.083804 0.059700 0.377920 H\n0.975896 0.916196 0.711253 H\n0.940300 0.024104 0.044586 H\n0.994983 0.438193 0.573550 S\n0.561807 0.556789 0.240217 S\n0.443211 0.005017 0.906884 S\n0.438193 0.994983 0.426450 S\n0.556789 0.561807 0.759783 S\n0.005017 0.443211 0.093116 S\n0.118657 0.370417 0.509124 O\n0.629583 0.748240 0.175790 O\n0.251760 0.881343 0.842457 O\n0.370417 0.118657 0.490876 O\n0.748240 0.629583 0.824210 O\n0.881343 0.251760 0.157543 O\n0.885918 0.507915 0.500870 O\n0.492085 0.378003 0.167537 O\n0.621997 0.114082 0.834204 O\n0.507915 0.885918 0.499130 O\n0.378003 0.492085 0.832463 O\n0.114082 0.621997 0.165796 O\n0.133821 0.612570 0.641497 O\n0.387430 0.521251 0.308163 O\n0.478749 0.866179 0.974830 O\n0.612570 0.133821 0.358503 O\n0.521251 0.387430 0.691837 O\n0.866179 0.478749 0.025170 O\n0.839923 0.257009 0.635030 O\n0.742991 0.582914 0.301697 O\n0.417086 0.160077 0.968363 O\n0.257009 0.839923 0.364970 O\n0.582914 0.742991 0.698303 O\n0.160077 0.417086 0.031637 O\n0.094749 0.000000 0.666667 O\n0.000000 0.094749 0.333333 O\n0.905251 0.905251 0.000000 O\n",
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"formula_full": "K3 La3 H6 S6 O27",
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{
"id": "mp-555077",
"created_at": "2022-09-04T14:48:13.494087Z",
"structure_string": "Sn4 I2 F6\n1.0\n2.180435 -6.960378 0.000000\n2.180435 6.960378 0.000000\n0.000000 0.000000 9.473694\nSn I F\n4 2 6\ndirect\n0.638969 0.361031 0.953742 Sn\n0.361031 0.638969 0.453742 Sn\n0.638969 0.361031 0.546258 Sn\n0.361031 0.638969 0.046258 Sn\n0.009511 0.990489 0.250000 I\n0.990489 0.009511 0.750000 I\n0.791404 0.208596 0.458705 F\n0.791404 0.208596 0.041295 F\n0.290061 0.709939 0.250000 F\n0.709939 0.290061 0.750000 F\n0.208596 0.791404 0.541295 F\n0.208596 0.791404 0.958706 F\n",
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"formula_full": "Sn4 I2 F6",
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{
"id": "mp-1247438",
"created_at": "2022-09-04T14:48:13.648143Z",
"structure_string": "La1 Mg2 Cr3 S8\n1.0\n6.498582 0.080460 3.877756\n2.240292 6.095613 3.880382\n0.108907 0.080484 7.566894\nLa Mg Cr S\n1 2 3 8\ndirect\n0.500010 0.500042 0.499960 La\n0.876079 0.875718 0.876094 Mg\n0.123888 0.124292 0.123892 Mg\n0.500001 0.499979 0.000000 Cr\n0.000007 0.499979 0.499997 Cr\n0.500003 0.999980 0.500012 Cr\n0.736826 0.736789 0.736838 S\n0.237830 0.237776 0.722318 S\n0.237793 0.722037 0.237783 S\n0.722320 0.237762 0.237828 S\n0.762194 0.277987 0.762200 S\n0.277686 0.762213 0.762193 S\n0.263174 0.263195 0.263190 S\n0.762194 0.762246 0.277696 S\n",
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],
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"density": 3.383102815256076,
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"formula_full": "La1 Mg2 Cr3 S8",
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{
"id": "mp-572430",
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"structure_string": "Ba8 Cr16 O56\n1.0\n8.461163 8.287262 0.000000\n-8.461163 8.287262 0.000000\n0.000000 0.602791 9.608102\nBa Cr O\n8 16 56\ndirect\n0.460332 0.539668 0.250000 Ba\n0.539668 0.460332 0.750000 Ba\n0.042559 0.957441 0.250000 Ba\n0.957441 0.042559 0.750000 Ba\n0.550589 0.039714 0.717951 Ba\n0.960286 0.449411 0.782049 Ba\n0.449411 0.960286 0.282049 Ba\n0.039714 0.550589 0.217951 Ba\n0.250650 0.406367 0.502273 Cr\n0.593633 0.749350 0.997727 Cr\n0.749350 0.593633 0.497727 Cr\n0.406367 0.250650 0.002273 Cr\n0.134283 0.252305 0.006028 Cr\n0.747695 0.865717 0.493972 Cr\n0.865717 0.747695 0.993972 Cr\n0.252305 0.134283 0.506028 Cr\n0.906755 0.256170 0.459497 Cr\n0.743830 0.093245 0.040503 Cr\n0.093245 0.743830 0.540503 Cr\n0.256170 0.906755 0.959497 Cr\n0.754049 0.372724 0.061471 Cr\n0.627276 0.245951 0.438529 Cr\n0.245951 0.627276 0.938529 Cr\n0.372724 0.754049 0.561471 Cr\n0.617800 0.574827 0.454109 O\n0.425173 0.382200 0.045891 O\n0.382200 0.425173 0.545891 O\n0.574827 0.617801 0.954109 O\n0.228252 0.500498 0.375957 O\n0.499502 0.771748 0.124043 O\n0.771748 0.499502 0.624043 O\n0.500498 0.228252 0.875957 O\n0.836598 0.583721 0.364068 O\n0.416279 0.163402 0.135932 O\n0.163402 0.416279 0.635932 O\n0.583721 0.836598 0.864068 O\n0.236342 0.272049 0.428815 O\n0.727951 0.763658 0.071185 O\n0.763658 0.727951 0.571185 O\n0.272049 0.236342 0.928815 O\n0.961121 0.763613 0.112399 O\n0.236387 0.038879 0.387601 O\n0.038879 0.236387 0.887601 O\n0.763613 0.961121 0.612399 O\n0.127747 0.380270 0.061440 O\n0.619730 0.872253 0.438560 O\n0.872253 0.619730 0.938560 O\n0.380270 0.127747 0.561440 O\n0.114097 0.160291 0.135163 O\n0.839709 0.885903 0.364837 O\n0.885903 0.839709 0.864837 O\n0.160291 0.114097 0.635163 O\n0.102886 0.743069 0.368818 O\n0.256931 0.897114 0.131182 O\n0.897114 0.256931 0.631182 O\n0.743069 0.102886 0.868818 O\n0.953566 0.131704 0.419177 O\n0.868296 0.046434 0.080823 O\n0.046434 0.868296 0.580823 O\n0.131704 0.953566 0.919177 O\n0.990695 0.358776 0.397890 O\n0.641224 0.009305 0.102110 O\n0.009305 0.641224 0.602110 O\n0.358776 0.990695 0.897890 O\n0.772119 0.279493 0.390743 O\n0.720507 0.227881 0.109257 O\n0.227881 0.720507 0.609257 O\n0.279493 0.772119 0.890743 O\n0.888202 0.402337 0.082370 O\n0.597663 0.111798 0.417630 O\n0.111798 0.597663 0.917630 O\n0.402337 0.888202 0.582370 O\n0.266758 0.608688 0.105853 O\n0.391312 0.733242 0.394147 O\n0.733242 0.391312 0.894147 O\n0.608688 0.266758 0.605853 O\n0.673103 0.454586 0.150416 O\n0.545414 0.326897 0.349584 O\n0.326897 0.545414 0.849584 O\n0.454586 0.673103 0.650416 O\n",
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{
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"structure_string": "Tl2 P2 S6\n1.0\n-3.562847 4.194768 4.577511\n3.562847 -4.194768 4.577511\n3.562847 4.194768 -4.577511\nTl P S\n2 2 6\ndirect\n0.250146 0.000000 0.250146 Tl\n0.749854 0.000000 0.749854 Tl\n0.337919 0.337919 0.000000 P\n0.662081 0.662081 0.000000 P\n0.223258 0.986628 0.763370 S\n0.776742 0.540112 0.763370 S\n0.313749 0.500000 0.813749 S\n0.686251 0.500000 0.186251 S\n0.776742 0.013372 0.236630 S\n0.223258 0.459888 0.236630 S\n",
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{
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"structure_string": "Sm1 Fe1 C2\n1.0\n2.281666 -2.976490 0.000000\n2.281666 2.976490 0.000000\n0.000000 0.000000 3.817078\nSm Fe C\n1 1 2\ndirect\n0.005268 0.994732 0.000000 Sm\n0.613149 0.386851 0.500000 Fe\n0.452176 0.855593 0.500000 C\n0.144407 0.547824 0.500000 C\n",
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{
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"structure_string": "Nd4 Pd4 Pb2\n1.0\n0.000000 0.000000 3.708846\n8.170492 0.000000 0.000000\n0.000000 8.170492 0.000000\nNd Pd Pb\n4 4 2\ndirect\n0.500000 0.173843 0.673843 Nd\n0.500000 0.826157 0.326157 Nd\n0.500000 0.326157 0.173843 Nd\n0.500000 0.673843 0.826157 Nd\n0.000000 0.622796 0.122796 Pd\n0.000000 0.377204 0.877204 Pd\n0.000000 0.877204 0.622796 Pd\n0.000000 0.122796 0.377204 Pd\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n",
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