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[
"Cl",
"H",
"Ni"
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1,
1,
1
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"H",
"H",
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"Cl",
"Cl",
"Cl",
"Cl",
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"Cl",
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] | 0 | -0.607802 | pbe | true | 11b7d448a916fc2fbd3d6737e34e27f9_12_Ni1H2Cl8 |
[
"Al",
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"I",
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1,
1,
1
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[
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1,
1,
1
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] | 2.07349 | 5.339745 | pbe | true | 63bccd449d1c3249133a8fb48c73237b_156_Hf3Sb1Cl7 |
[
"Cl",
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1,
1,
1
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] | -0.000006 | 1.31367 | pbe | true | eb3d63eaa44003a47e125bc1271b0530_35_Mg1Hg2Cl1 |
[
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1,
1,
1
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[
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[
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] | 0 | 1.579044 | pbe | true | 905f3a081492a6dc9f97236f7ed30608_1_K2Na6Al8Si8O32 |
[
"Al",
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1,
1,
1
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
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] | [] | 0 | 7.492564 | pbe | true | c7201a74dd14b60709d1bd42abc1647f_51_La4Ti4Al4Pb4O24 |
[
"Al",
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1,
1,
1
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0,
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"Al",
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] | -0.005631 | null | pbe | true | b8c54a0656289c0a78872a1930886d1b_216_Li1Al1Mo2 |
[
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1,
1,
1
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] | -0 | 1.641118 | pbe | true | c025d5cfe7e40b13d71dc2987c078cc6_12_Li2Al2Pb2 |
[
"Al",
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1,
1,
1
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0,
0
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[
0,
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"Al",
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] | 0 | 1.149365 | pbe | true | 3f8a48606c038acf2ab7bd63709e2bdb_25_Li1Al1Pt2 |
[
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1,
1,
1
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"Al",
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] | -0.000034 | 2.628107 | pbe | true | b7cd80c422debadeb3c79adcd36b382a_6_Li1Al1Ru2 |
[
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1,
1,
1
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[
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[
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"Tl",
"Tl",
"Tl",
"Tl",
"S",
"S",
"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
0.6,
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] | 0 | 0 | pbe | true | 8046607e604bd1579da9dc8079c2a030_9_Tl4S6 |
[
"Al",
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"O",
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] | 120 | A24B6C4D3E3 | Al4Na6O24S3Si3 | Al12 Na18 O72 S9 Si9 | 5 | [
1,
1,
1
] | 3 | [
[
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[
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] | mp-2716138 | [
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[
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] | 0 | 3.26966 | pbe | true | d26e03053e2c315b93c2c15b14865507_1_Na18Al12Si9S9O72 |
[
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1,
1,
1
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"Tl",
"Tl",
"Tl",
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"S",
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"S",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 7.507008 | pbe | true | 5c807bed3322076a79ced2744c5027f1_157_Tl6S5 |
[
"Cl",
"Hg",
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1,
1,
1
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0,
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[
0,
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"Cl",
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] | 0.000001 | 4.715354 | pbe | true | c9a2af22fceba2f8fbd2848aa1366e64_99_Hg1W2Cl1 |
[
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1,
1,
1
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] | [{"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
-0.00012947,
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] | 12.000009 | -0.277807 | pbe | true | bf33d46066bbcd0b0da5c52841c42595_8_Sr4Y2Al2V4O14 |
[
"Al",
"Cd",
"Zn"
] | 4 | A2BC | AlCd2Zn | Al1 Zn1 Cd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.40606417,
0,
0
],
[
0,
3.40606417,
0
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[
0,
0,
6.97230436
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] | agm001811245 | [
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3.48615218
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Al",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
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[
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] | -6.092851 | [
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[
0,
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[
0,
0,
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]
] | -0 | 1.981118 | pbe | true | 9a540191db25f737496feb4249caf3b3_123_Al1Zn1Cd2 |
[
"Co",
"Hg",
"Se"
] | 4 | A2BC | CoHg2Se | Co1 Hg2 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.79876729,
0,
0
],
[
0,
3.8005278,
0
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[
0,
0,
5.54688639
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] | agm004264336 | [
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[
0,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"Co",
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"Hg",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.25
] | [
[
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[
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[
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] | -9.240508 | [
1.703,
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0.024
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0,
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 1.634369 | 4.924594 | pbe | true | 5219190d7201a6abbc6749329f30c8a9_123_Co1Hg2Se1 |
[
"Co",
"Hg",
"Si"
] | 4 | A2BC | CoHgSi2 | Co1 Si2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
2.94305168,
0,
0
],
[
0,
4.64004594,
0
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[
0,
0,
4.57641132
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] | agm004088579 | [
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0,
0,
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Co",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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] | 0 | 0.878926 | pbe | true | 55906bc7537b0202bf6c2aaec6e9b4a9_11_Na12Cr4B4As4O28 |
[
"Al",
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"Zn"
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1,
1,
1
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"Al",
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] | -0.000002 | 1.221969 | pbe | true | 84a69e74fd8c5166fb97f0b886cf0459_12_Li2Al1Zn1 |
[
"Al",
"Lu",
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] | 4 | A2BC | Al2LuSm | Sm1 Lu1 Al2 | 3 | [
1,
1,
1
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0,
0
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[
0,
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] | 0.000003 | 1.661333 | pbe | true | 514098cd7d8d4bdbeac6f6fb8c2700b5_123_Sm1Lu1Al2 |
[
"In",
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1,
1,
1
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0
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[
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[
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1,
1,
1
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"Ho",
"Ho",
"Ho",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"O"
] | 2023-11-16 06:57:59 | [
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] | 0.000332 | 0 | pbe | true | f1defed9612dcc1a4762cc003ee29dba_156_Ho3Cl7O1 |
[
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"H",
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] | 68 | A20B5C4D3E2 | As5Ba2Cu4H3O20 | As10 Ba4 Cu8 H6 O40 | 5 | [
1,
1,
1
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] | 0 | 0 | pbe | true | 9f0a4979a6ee9dc8b7ebca57ee6a74a7_43_Si24As8H144C48O12 |
[
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[
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[
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[
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[
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[
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[
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1
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[
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[
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] | 0.000042 | 1.768257 | pbe | true | 4a41af4fe83280aaaeaae928d0b3a9e4_107_Li1P1Ir1 |
[
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[
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[
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] | 0 | -3.428665 | pbe | true | 983502b84919042b7e70060b0a5044d3_14_Hg4As10H12O4F62 |
[
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1,
1,
1
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0
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"Sb",
"Sb",
"Sc",
"Sc",
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] | -0.014905 | 12.816937 | pbe | true | 73efbfc3aaa197d222f2cb3260b9f423_194_Sc6Sb2 |
[
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1,
1
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[
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1
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