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[
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[
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] | pbe | true | 40 | agm005266100-pbe-2 | 2 | 0 |
[
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[
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] | pbe | true | 40 | agm005266100-pbe-21 | 21 | 0 |
[
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[
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[
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[
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] | pbe | true | 40 | agm005266100-pbe-33 | 33 | 0 |
[
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1,
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[
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[
-0.00114459,
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0
]
] | pbe | true | 40 | agm005266100-pbe-40 | 40 | 1 |
[
"Cs",
"Hg",
"Sn"
] | 54 | A21B4C2 | Cs4Hg2Sn21 | Cs8 Sn42 Hg4 | 3 | [
1,
1,
1
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[
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] | [{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
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] | 2024-05-07 00:00:00 | [
0.14814814814814814,
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],
[
-0.00123526,
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0
]
] | pbe | true | 40 | agm005266100-pbe-41 | 41 | 1 |
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