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{
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{
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{
"id": "mp-1103503",
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{
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"created_at": "2022-09-04T14:47:32.371560Z",
"structure_string": "Ce2 Ni5 B4\n1.0\n2.544863 4.851740 0.000000\n-2.544863 4.851740 0.000000\n0.000000 3.834704 5.440778\nCe Ni B\n2 5 4\ndirect\n0.270765 0.270765 0.653004 Ce\n0.729235 0.729235 0.346996 Ce\n0.180375 0.670392 0.870047 Ni\n0.670392 0.180375 0.870047 Ni\n0.819625 0.329608 0.129953 Ni\n0.329608 0.819625 0.129953 Ni\n0.000000 0.000000 0.500000 Ni\n0.778516 0.778516 0.838087 B\n0.221484 0.221484 0.161913 B\n0.400325 0.400325 0.144598 B\n0.599675 0.599675 0.855402 B\n",
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{
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"structure_string": "Na2 Mn2 H12 C6 S6 N6 O6\n1.0\n5.124142 -8.875274 0.000000\n5.124142 8.875274 0.000000\n0.000000 0.000000 6.725374\nNa Mn H C S N O\n2 2 12 6 6 6 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.975786 Mn\n0.666667 0.333333 0.024214 Mn\n0.101779 0.284922 0.238330 H\n0.183143 0.898221 0.238330 H\n0.715078 0.816857 0.238330 H\n0.898221 0.715078 0.761670 H\n0.816857 0.101779 0.761670 H\n0.284922 0.183143 0.761670 H\n0.926102 0.188704 0.251400 H\n0.262602 0.073898 0.251400 H\n0.811296 0.737398 0.251400 H\n0.073898 0.811296 0.748600 H\n0.737398 0.926102 0.748600 H\n0.188704 0.262602 0.748600 H\n0.579842 0.977057 0.205878 C\n0.397215 0.420158 0.205878 C\n0.022943 0.602785 0.205878 C\n0.420158 0.022943 0.794122 C\n0.602785 0.579842 0.794122 C\n0.977057 0.397215 0.794122 C\n0.679320 0.142743 0.308218 S\n0.463423 0.320680 0.308218 S\n0.857257 0.536577 0.308218 S\n0.320680 0.857257 0.691782 S\n0.536577 0.679320 0.691782 S\n0.142743 0.463423 0.691782 S\n0.508608 0.856203 0.133278 N\n0.347596 0.491392 0.133278 N\n0.143797 0.652404 0.133278 N\n0.491392 0.143797 0.866722 N\n0.652404 0.508608 0.866722 N\n0.856203 0.347596 0.866722 N\n0.018303 0.181186 0.245166 O\n0.162882 0.981697 0.245166 O\n0.818814 0.837118 0.245166 O\n0.981697 0.818814 0.754834 O\n0.837118 0.018303 0.754834 O\n0.181186 0.162882 0.754834 O\n",
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{
"id": "mp-1100796",
"created_at": "2022-09-04T14:47:32.393152Z",
"structure_string": "Pb7 O16\n1.0\n5.989977 5.131751 0.000000\n-5.989977 5.131751 0.000000\n0.000000 5.126005 5.590009\nPb O\n7 16\ndirect\n0.711883 0.288117 0.500000 Pb\n0.216176 0.287936 0.500715 Pb\n0.287147 0.712853 0.000000 Pb\n0.791750 0.710306 0.978431 Pb\n0.712064 0.783824 0.499285 Pb\n0.790512 0.209488 0.000000 Pb\n0.289694 0.208250 0.021569 Pb\n0.607512 0.951715 0.676993 O\n0.724102 0.371687 0.174492 O\n0.137042 0.813822 0.815819 O\n0.048285 0.392488 0.323007 O\n0.452894 0.612108 0.175044 O\n0.099121 0.452317 0.678524 O\n0.186178 0.862958 0.184181 O\n0.369978 0.222763 0.686148 O\n0.777237 0.630022 0.313852 O\n0.628313 0.275898 0.825508 O\n0.899776 0.042402 0.822914 O\n0.547683 0.900879 0.321476 O\n0.957598 0.100224 0.177086 O\n0.861545 0.694682 0.678984 O\n0.305318 0.138455 0.321016 O\n0.387892 0.547106 0.824956 O\n",
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{
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"structure_string": "Tl4 Zn2 I8\n1.0\n8.276460 0.000000 0.000000\n0.000000 7.958450 0.000000\n0.000000 2.959246 9.146122\nTl Zn I\n4 2 8\ndirect\n0.035298 0.251430 0.434156 Tl\n0.535298 0.748570 0.565844 Tl\n0.018908 0.231760 0.945778 Tl\n0.518908 0.768240 0.054222 Tl\n0.973077 0.781345 0.799106 Zn\n0.473077 0.218655 0.200894 Zn\n0.739963 0.023470 0.730654 I\n0.239963 0.976530 0.269346 I\n0.240549 0.971281 0.747176 I\n0.740549 0.028719 0.252824 I\n0.443261 0.418656 0.374359 I\n0.943261 0.581344 0.625641 I\n0.436274 0.407226 0.924192 I\n0.936274 0.592774 0.075808 I\n",
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{
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{
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},
{
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"created_at": "2022-09-04T14:47:32.072898Z",
"structure_string": "Cs6 Sc4 Cl18\n1.0\n7.225188 -6.527780 0.000000\n7.225188 6.527780 0.000000\n1.327498 0.000000 9.646398\nCs Sc Cl\n6 4 18\ndirect\n0.250000 0.914082 0.585918 Cs\n0.085918 0.414082 0.750000 Cs\n0.914082 0.585918 0.250000 Cs\n0.414082 0.750000 0.085918 Cs\n0.585918 0.250000 0.914082 Cs\n0.750000 0.085918 0.414082 Cs\n0.152957 0.152957 0.152957 Sc\n0.652957 0.652957 0.652957 Sc\n0.347043 0.347043 0.347043 Sc\n0.847043 0.847043 0.847043 Sc\n0.397558 0.102442 0.250000 Cl\n0.250000 0.397558 0.102442 Cl\n0.245566 0.571748 0.409816 Cl\n0.928252 0.254434 0.090184 Cl\n0.909816 0.071748 0.745566 Cl\n0.571748 0.409816 0.245566 Cl\n0.102442 0.250000 0.397558 Cl\n0.428252 0.590184 0.754434 Cl\n0.409816 0.245566 0.571748 Cl\n0.897558 0.750000 0.602442 Cl\n0.602442 0.897558 0.750000 Cl\n0.754434 0.428252 0.590184 Cl\n0.750000 0.602442 0.897558 Cl\n0.071748 0.745566 0.909816 Cl\n0.590184 0.754434 0.428252 Cl\n0.254434 0.090184 0.928252 Cl\n0.090184 0.928252 0.254434 Cl\n0.745566 0.909816 0.071748 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Cl"
],
"chemical_system": "Cl-Cs-Sc",
"density": 2.9479636738263237,
"density_atomic": 0.030771466757993228,
"volume": 909.9338754375981,
"volume_molar": 19.570535286348296,
"formula_full": "Cs6 Sc4 Cl18",
"formula_reduced": "Cs3Sc2Cl9",
"formula_anonymous": "A2B3C9",
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"updated_at": "2021-11-28T01:38:15.476000Z",
"spacegroup": 167
},
{
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"created_at": "2022-09-04T14:47:32.177706Z",
"structure_string": "Eu4 Si6 Pd2\n1.0\n4.161492 -7.207916 0.000000\n4.161492 7.207916 0.000000\n0.000000 0.000000 4.314845\nEu Si Pd\n4 6 2\ndirect\n0.500000 0.500000 0.000000 Eu\n0.000000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 0.000000 Eu\n0.835924 0.671849 0.500000 Si\n0.164076 0.835924 0.500000 Si\n0.671849 0.835924 0.500000 Si\n0.164076 0.328151 0.500000 Si\n0.835924 0.164076 0.500000 Si\n0.328151 0.164076 0.500000 Si\n0.333333 0.666667 0.500000 Pd\n0.666667 0.333333 0.500000 Pd\n",
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"elements": [
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],
"chemical_system": "Eu-Pd-Si",
"density": 6.345753244968942,
"density_atomic": 0.046358275287793814,
"volume": 258.85346090862043,
"volume_molar": 12.990433148373915,
"formula_full": "Eu4 Si6 Pd2",
"formula_reduced": "Eu2Si3Pd",
"formula_anonymous": "AB2C3",
"energy": -92.90615149,
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"updated_at": "2021-11-28T01:38:15.908000Z",
"spacegroup": 191
}
]
}