elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1 value | cross_compatibility bool 1 class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"In",
"Li",
"N"
] | 8 | A2BC | InLi2N | Li4 In2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
4.67271295,
0,
0
],
[
8e-8,
4.67407019,
0
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[
0,
0,
18.91241945
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] | agm2000105604 | [
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2.338181185709253,
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6.30302855e-8,
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3.2899077771046805,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Li",
"Li",
"Li",
"Li",
"In",
"In",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
0,
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[
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] | -27.629076 | [
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[
0,
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0
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[
0,
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] | 0.001594 | 6.051155 | pbe | true | 7497711de513708c01c306d0bed7a585_123_Li4In2N2 |
[
"In",
"Li",
"Ni"
] | 20 | A3BC | In3LiNi | Li4 In12 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
4.3911392,
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1.03679504
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[
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[
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] | agm005821651 | [
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2.267709662229397,
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[
5.319123996308218,
8.418152114106565,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
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"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
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[
-0.00151021,
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] | 0 | 8.603424 | pbe | true | 5906e6b7f10901fc92603755a0e05a97_15_Li4In12Ni4 |
[
"In",
"Li",
"Pt"
] | 4 | A2BC | In2LiPt | Li1 In2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.3970728,
0,
0
],
[
0,
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[
0,
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]
] | agm003797063 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"In",
"In",
"Li",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
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] | [
[
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0.00002863,
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[
0.00003358,
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]
] | -14.9833 | [
0,
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0,
0
] | [
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2.9e-7,
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[
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[
2.7e-7,
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-0.00244652
],
[
-3.1e-7,
0.00086415,
0.00219389
]
] | 0.000001 | 1.592948 | pbe | true | 9df0ff05750a4e959060367e1e053168_123_Li1In2Pt1 |
[
"In",
"Li",
"Si"
] | 4 | A2BC | In2LiSi | Li1 In2 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
5.2453046,
-0.00052321,
-0.0002823
],
[
-1.76378088,
4.93986818,
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],
[
0.01283842,
0.01821426,
3.19875272
]
] | agm004055696 | [
[
0,
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[
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],
[
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],
[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"In",
"In",
"Li",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.275386,
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[
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] | -12.476326 | [
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0,
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[
0,
0,
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[
0,
0,
0
]
] | -0.000006 | 1.730442 | pbe | true | 4242b1fcfab914678265556db77197e6_65_Li1In2Si1 |
[
"In",
"Li",
"Si"
] | 4 | A2BC | InLiSi2 | Li1 In1 Si2 | 3 | [
1,
1,
1
] | 3 | [
[
3.0418178,
0,
0
],
[
0,
4.18119304,
0
],
[
0,
0,
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]
] | agm004197981 | [
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"In",
"Li",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
0,
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[
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] | -14.656188 | [
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[
0,
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[
0,
0,
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]
] | 0.000002 | 1.780207 | pbe | true | a1b13d0b81762a18138e84aa2a2803e1_47_Li1In1Si2 |
[
"In",
"Li",
"Tb"
] | 10 | A2B2C | In2Li2Tb | Li4 Tb2 In4 | 3 | [
1,
1,
1
] | 3 | [
[
3.14824012,
0,
0
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[
0,
8.26662853,
0
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[
0,
0,
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] | agm005888413 | [
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[
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Li",
"Li",
"Li",
"Li",
"Tb",
"Tb",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
2.2735393,
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[
0,
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[
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] | -30.900857 | [
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] | [
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[
0,
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] | 0.000001 | 4.759939 | pbe | true | 9f847d39c5c12b2ba32e0276082f50e0_127_Li4Tb2In4 |
[
"In",
"Li",
"Ti"
] | 5 | A3BC | InLi3Ti | Li3 Ti1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
4.78183639,
0,
0
],
[
0,
4.78183639,
0
],
[
0,
0,
4.78183639
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] | agm002506527 | [
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ti",
"Li",
"Li",
"Li",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
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] | -12.966238 | [
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[
0,
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[
0,
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]
] | -0.000029 | 3.341852 | pbe | true | aa5d29119a420f04c7e8f825ca6774a6_221_Li3Ti1In1 |
[
"In",
"Li",
"Tm"
] | 18 | A5B3C | In3LiTm5 | Li2 Tm10 In6 | 3 | [
1,
1,
1
] | 3 | [
[
6.56131504,
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[
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[
0,
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] | agm005974325 | [
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[
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1,
1
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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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[
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[
0,
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[
0,
0,
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[
0,
0,
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]
] | -0.00002 | 8.559761 | pbe | true | da5c48adae6db53b5bdebb3b09e812c2_65_Nd2Sm3In7 |
[
"In",
"Mg",
"Tl"
] | 9 | A6B2C | In2Mg6Tl | Mg6 Tl1 In2 | 3 | [
1,
1,
1
] | 3 | [
[
4.56485171,
-1e-8,
0
],
[
-2.28242635,
4.82114596,
-1.38137732
],
[
1e-8,
0.08737986,
9.58917224
]
] | agm005581400 | [
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3.350997533653774,
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2.2824234136937864,
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Tl",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
] | [
[
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0
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[
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[
0,
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] | -17.919239 | [
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[
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[
0,
0.00381754,
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[
0,
-0.00381754,
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]
] | 0 | 3.812081 | pbe | true | b88088fc439634e91ee33226e35cb420_12_Mg6Tl1In2 |
[
"In",
"Mg",
"Zn"
] | 14 | A8B5C | In8Mg5Zn | Mg5 Zn1 In8 | 3 | [
1,
1,
1
] | 3 | [
[
7.66338336,
0.09504355,
-0.16337388
],
[
-2.50356554,
7.24352361,
0.1633834
],
[
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] | agm003682396 | [
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[
4.282642727630231,
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Mg",
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"Mg",
"Mg",
"Mg",
"Zn",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.35714285714285715,
0.07142857142857142
] | [
[
3.3933518,
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[
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3.3930042,
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[
0.00083118,
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] | -31.080969 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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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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[
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[
0.00339776,
0.00142952,
0.00295269
],
[
0.00149988,
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-0.00206007
]
] | -0.000004 | 4.959427 | pbe | true | 580be0508c8a6f7bc6d8e31dc7ebacae_82_Mg5Zn1In8 |
[
"In",
"Mn",
"Pd"
] | 5 | A3BC | InMn3Pd | Mn3 In1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65937312,
0,
0
],
[
0,
4.65937312,
0
],
[
0,
0,
4.65937312
]
] | agm002526468 | [
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0,
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0
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[
0,
0,
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[
2.32968656,
0,
0
],
[
2.32968656,
2.32968656,
2.32968656
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[
0,
0,
0
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Mn",
"Mn",
"Mn",
"Pd",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
7.9366956,
0,
0
],
[
0,
7.9366956,
0
],
[
0,
0,
7.9366956
]
] | -23.721857 | [
-0.191,
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-0.101,
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] | [
[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.851129 | 14.007934 | pbe | true | d3313dfa1ef7c8c6180f7f4d44eaa29d_221_Mn3In1Pd1 |
[
"In",
"Mn",
"Pt"
] | 6 | A4BC | In4MnPt | Mn1 In4 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.12254398,
4.12254398
],
[
4.12254398,
0,
4.12254398
],
[
4.12254398,
4.12254398,
0
]
] | agm005436323 | [
[
6.1838159699999995,
6.1838159699999995,
6.1838159699999995
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[
3.091146963381292,
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[
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[
3.091146963381292,
3.091146963381292,
3.091146963381292
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[
0,
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Mn",
"In",
"In",
"In",
"In",
"Pt"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
5.5815206,
0,
0
],
[
0,
5.5815206,
0
],
[
0,
0,
5.5815206
]
] | -22.84903 | [
4.168,
-0.013,
-0.013,
-0.013,
-0.013,
0.034
] | [
[
0,
0,
0
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[
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[
0.00034788,
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[
0.00034788,
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0.00034788
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[
-0.00034788,
-0.00034788,
-0.00034788
],
[
0,
0,
0
]
] | 4.381462 | 4.115396 | pbe | true | 445f8d18052e30202fe61950d6d4973a_216_Mn1In4Pt1 |
[
"In",
"Mn",
"Rh"
] | 7 | A5BC | In5MnRh | Mn1 In5 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.57822965,
0,
0
],
[
0,
4.57822965,
0
],
[
0,
0,
7.26630811
]
] | agm002222574 | [
[
0,
0,
0
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[
0,
0,
3.633154055
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[
2.289114825,
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0
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[
2.289114825,
0,
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[
0,
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[
2.289114825,
0,
2.089219661923203
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[
0,
2.289114825,
5.177088448076797
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Mn",
"Rh",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.7142857142857143,
0.14285714285714285,
0.14285714285714285
] | [
[
5.6344023,
0,
0
],
[
0,
5.6344023,
0
],
[
0,
0,
3.5931122
]
] | -30.28801 | [
3.722,
0.024,
-0.008,
-0.031,
-0.019,
-0.031,
-0.019
] | [
[
0,
0,
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[
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[
0,
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[
0,
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[
0,
0,
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],
[
0,
0,
-0.02434559
],
[
0,
0,
0.02434559
]
] | 3.784232 | 3.395912 | pbe | true | 03dce03f5fe8a3a3f8cbbfff8ca5ffce_123_Mn1In5Rh1 |
[
"In",
"Mo",
"Ni"
] | 4 | A2BC | In2MoNi | In2 Ni1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
9.37041906,
-0.01888465,
-0.01109263
],
[
8.88815891,
2.96744694,
-0.01109263
],
[
8.88815891,
1.43534125,
2.59724082
]
] | agm003904731 | [
[
0.28716632673770404,
0.046374246817182,
0.027239710230348
],
[
6.6304213587692375,
1.0707411279259458,
0.6289412779338612
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[
13.307036690882958,
2.1489420814716973,
1.262264373410841
],
[
20.495480672142733,
3.3097978099461396,
1.9441379526743947
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"In",
"In",
"Mo",
"Ni"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-2.636458,
0.00624983,
0.00367108
],
[
0.00624983,
-2.6741498,
0.00059284
],
[
0.00367108,
0.00059284,
-2.674811
]
] | -20.780832 | [
0,
0,
0,
0
] | [
[
0.00368139,
0.0005945,
0.00034921
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[
0.00265596,
0.00042891,
0.00025194
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[
-0.0014317,
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-0.00013581
],
[
-0.00490565,
-0.00079221,
-0.00046534
]
] | -0.000017 | 3.706981 | pbe | true | eda47eb99bd599ae59b2de10e6bda450_160_In2Ni1Mo1 |
[
"In",
"Mo",
"Os"
] | 4 | A2BC | InMo2Os | In1 Mo2 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
3.17209092,
0,
0
],
[
0,
3.17209092,
0
],
[
0,
0,
6.63783102
]
] | agm004141121 | [
[
1.58604546,
1.58604546,
4.95706927909793
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[
0,
0,
0.16000803651767942
],
[
1.58604546,
1.58604546,
1.6667061337172195
],
[
0,
0,
3.1729630142888605
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"In",
"Mo",
"Mo",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
10.667944,
0,
0
],
[
0,
10.667944,
0
],
[
0,
0,
10.123836
]
] | -34.361851 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00133624
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[
0,
0,
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],
[
0,
0,
-0.00405449
],
[
0,
0,
0.02299535
]
] | 0.000009 | 4.163653 | pbe | true | ed531f7b27b0e4bbb757d7f582720743_99_In1Mo2Os1 |
[
"In",
"Mo",
"Os"
] | 6 | A4BC | InMo4Os | In1 Mo4 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.6937504,
3.6937504
],
[
3.6937504,
0,
3.6937504
],
[
3.6937504,
3.6937504,
0
]
] | agm005457504 | [
[
0,
0,
0
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[
4.627247412089344,
2.760253387910656,
4.627247412089344
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[
2.760253387910656,
4.627247412089344,
4.627247412089344
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[
4.627247412089344,
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2.760253387910656
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[
2.760253387910656,
2.760253387910656,
2.760253387910656
],
[
5.5406256,
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5.5406256
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"In",
"Mo",
"Mo",
"Mo",
"Mo",
"Os"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
10.053625,
0,
0
],
[
0,
10.053625,
0
],
[
0,
0,
10.053625
]
] | -54.646931 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
-0.00177432,
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[
0.00177432,
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[
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0.00177432
],
[
0.00177432,
0.00177432,
0.00177432
],
[
0,
0,
0
]
] | 0.000017 | 6.918265 | pbe | true | a8295107dfda9fa57aa7315f34ef746a_216_In1Mo4Os1 |
[
"In",
"Pb",
"Pt"
] | 3 | ABC | InPbPt | In1 Pt1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.76631863,
0,
0
],
[
2.38315931,
4.12775301,
0
],
[
2.38315931,
1.37591767,
3.89168286
]
] | agm004357256 | [
[
2.3831593125,
1.37591767,
0.972920715
],
[
0,
0,
0
],
[
4.766318625,
2.75183534,
1.94584143
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"In",
"Pb",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.3121476,
0,
0
],
[
0,
5.3121476,
0
],
[
0,
0,
5.3121476
]
] | -12.084564 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 1.828482 | pbe | true | c6db1027be9547eded1c804a36a90e0f_216_In1Pt1Pb1 |
[
"In",
"Mo",
"Sc"
] | 4 | A2BC | In2MoSc | Sc1 In2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
5.31161835,
0.00210665,
-0.02980391
],
[
1.9236866,
4.9510326,
0.02980391
],
[
-3.60086538,
-2.50109159,
3.00155867
]
] | agm003878153 | [
[
0.00029035278764349997,
0.00019876947810249998,
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],
[
0.01649681456540586,
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3.00155867
],
[
2.66420265014695,
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1.48587738
],
[
0.9702368474999998,
2.4632553175,
1.51568129
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"In",
"In",
"Mo",
"Sc"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.440675,
0.03834726,
-0.01533782
],
[
0.03834726,
6.4109106,
0.02240438
],
[
-0.01533742,
0.0224038,
5.85889
]
] | -22.865214 | [
0,
0,
0,
0
] | [
[
-0.00192267,
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0
],
[
0.00192267,
0.00131622,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000079 | 2.173365 | pbe | true | f3da73da4b13290b177423877e45bace_139_Sc1In2Mo1 |
[
"In",
"Mo",
"Se"
] | 4 | A2BC | In2MoSe | In2 Mo1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.49041637,
3.49041637
],
[
3.49041637,
0,
3.49041637
],
[
3.49041637,
3.49041637,
0
]
] | agm002736350 | [
[
3.49041637,
3.49041637,
3.49041637
],
[
0,
0,
0
],
[
1.745208185,
1.745208185,
1.745208185
],
[
5.235624555,
5.235624555,
5.235624555
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Mo",
"Se",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.7281675,
0,
0
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[
0,
5.7281675,
0
],
[
0,
0,
5.7281675
]
] | -16.909743 | [
1.132,
-0.04,
-0.017,
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] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.360895 | 5.013047 | pbe | true | ca3449b9a54d5a2f66f461a906120f27_225_In2Mo1Se1 |
[
"In",
"Mo",
"Ti"
] | 8 | A2BC | InMoTi2 | Ti4 In2 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
3.93755831,
0,
0
],
[
0,
3.93755831,
0
],
[
1.96877916,
1.96877916,
9.74005537
]
] | agm002897494 | [
[
1.968779155,
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0
],
[
1.9687791575,
3.9375583125,
4.870027685
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[
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[
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[
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[
0,
0,
0
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[
3.9375583125,
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4.870027685
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Mo",
"Mo",
"Ti",
"Ti",
"Ti",
"Ti",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.9315605,
0,
0
],
[
0,
6.9315605,
0
],
[
0,
0,
5.197768
]
] | -54.466277 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
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[
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0.01387732,
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[
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[
0,
-0.01387732,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0 | 8.16489 | pbe | true | b23d1ec4af4d07f8ee9947d2880592e1_122_Ti4In2Mo2 |
[
"In",
"N",
"Y"
] | 5 | A3BC | InN3Y | Y1 In1 N3 | 3 | [
1,
1,
1
] | 3 | [
[
4.51293857,
0,
0
],
[
0,
4.51293857,
0
],
[
0,
0,
4.51293857
]
] | agm002536085 | [
[
0,
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[
0,
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0
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[
0,
0,
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[
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],
[
2.256469285,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"N",
"N",
"N",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
29.130934,
0,
0
],
[
0,
29.130934,
0
],
[
0,
0,
29.130934
]
] | -28.503972 | [
0.073,
1.091,
1.233,
0.822,
0.118
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 4.737485 | 2.962275 | pbe | true | f86c9cb1b6626a8a7db4b0c2300df801_221_Y1In1N3 |
[
"In",
"Na",
"Pb"
] | 13 | A8B3C2 | In3Na8Pb2 | Na8 In3 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
5.7199615,
0.21146986,
1.67357136
],
[
2.24784395,
8.13919506,
0.96569423
],
[
0.3343597,
0.40806636,
8.48254286
]
] | agm005647191 | [
[
2.7939689153229135,
5.032800174598937,
5.887498866952121
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[
5.5081962346770865,
3.7259311054010635,
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[
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[
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[
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2.992056667291798
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[
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2.766470422969641,
3.5504402941284643
],
[
5.532286222026638,
5.9922608570303595,
7.571368155871536
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}] | [
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"In",
"In",
"In",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.23076923076923078,
0.6153846153846154,
0.15384615384615385
] | [
[
2.303009,
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[
-0.02315262,
2.2269423,
0.02962837
],
[
0.00434436,
0.02962827,
2.2239826
]
] | -26.941632 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00227267,
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[
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[
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[
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[
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[
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[
0.00152157,
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[
0.00035166,
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[
0,
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[
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[
0.000341,
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[
-0.00152482,
0.00084533,
0.00048126
],
[
0.00152482,
-0.00084533,
-0.00048126
]
] | 0 | 4.958471 | pbe | true | ecd3c9bebf1c8742fe65027a5fda869c_12_Na8In3Pb2 |
[
"In",
"Na",
"Pt"
] | 13 | A6B6C | In6NaPt6 | Na1 In6 Pt6 | 3 | [
1,
1,
1
] | 3 | [
[
5.2155028,
0,
2.08463262
],
[
2.51382288,
6.72221873,
1.27731424
],
[
0.11126696,
0.09209269,
7.28822234
]
] | agm006094428 | [
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0,
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[
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4.34481578629776,
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[
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3.788417282958755
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[
3.3060914281255163,
1.712187524821442,
6.861751917041245
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Na",
"In",
"In",
"In",
"In",
"In",
"In",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.46153846153846156,
0.07692307692307693,
0.46153846153846156
] | [
[
7.821341,
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[
-0.04712501,
7.7510834,
0.11790114
],
[
0.02565214,
0.11790114,
7.767414
]
] | -60.183248 | [
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0,
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0,
0,
0,
0,
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0,
0,
0,
0
] | [
[
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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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[
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[
0.00065869,
0.00181773,
-0.00164796
],
[
-0.00065869,
-0.00181773,
0.00164796
]
] | -0 | 4.171093 | pbe | true | 31ab27bec59fbf9d65624be2ee6dedf2_71_Na1In6Pt6 |
[
"In",
"Na",
"Rb"
] | 4 | A2BC | InNa2Rb | Rb1 Na2 In1 | 3 | [
1,
1,
1
] | 3 | [
[
4.27046533,
0,
0
],
[
0,
4.27046533,
0
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[
0,
0,
8.97490536
]
] | agm001138366 | [
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0,
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[
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[
2.135232665,
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4.48745268
],
[
2.135232665,
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0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Na",
"Na",
"Rb",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0,
0.9574401,
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[
0,
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]
] | -6.277424 | [
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0,
0
] | [
[
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000018 | 1.828056 | pbe | true | dd531a6935c2d1d493a789aab7012493_123_Rb1Na2In1 |
[
"In",
"Na",
"Rb"
] | 26 | A10B2C | In2Na10Rb | Rb2 Na20 In4 | 3 | [
1,
1,
1
] | 3 | [
[
9.01210857,
0.04935818,
0
],
[
-1.28555958,
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0
],
[
0,
0,
11.68284537
]
] | agm005738746 | [
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7.687755332466136,
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[
0.038793657533865204,
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] | 0.000016 | 10.048144 | pbe | true | b28252271aabd8fe830d30bc0a54ac80_63_Rb2Na20In4 |
[
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1,
1
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[
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1,
1
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[
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[
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1,
1
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] | 0 | 9.89397 | pbe | true | 158e60472e116f9b58a4645d07e1710c_148_Tl12In7Sn1 |
[
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1,
1,
1
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] | 0.000749 | 14.550598 | pbe | true | 2bb5915041940edb3564ba501d92d5f3_71_Na4Sr12In2 |
[
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1,
1
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[
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[
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[
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[
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] | 0.001726 | 25.299112 | pbe | true | 9baa663b41c0f050b194b67d531d64ef_12_Tb6Nd10In2 |
[
"In",
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1,
1,
1
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] | 0.000095 | 11.212439 | pbe | true | 683c861d33ed66cf39d7388a036f9d51_71_Nd1Tm6In5 |
[
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1,
1,
1
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] | 0 | 2.084899 | pbe | true | ec16dee85fffe8ca694ff41471200167_8_Tl1In2Ni1 |
[
"In",
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1,
1,
1
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] | 0 | 4.78765 | pbe | true | b67bfd1add8105dbf2e16b649605e4fb_127_Tm4In2Ni4 |
[
"In",
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"Rh"
] | 12 | ABC | InNpRh | Np4 In4 Rh4 | 3 | [
1,
1,
1
] | 3 | [
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[
0,
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] | 14.322913 | 22.76676 | pbe | true | e0c456b09d2b56c0e3dec3bdd2c0a4fe_62_Np4In4Rh4 |
[
"In",
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"Y"
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1,
1,
1
] | 3 | [
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0,
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] | 8.595668 | 23.461115 | pbe | true | 14aa739532e00138b385dfce6b496a57_123_Y1Np2In9 |
[
"In",
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"Zn"
] | 8 | A2BC | InNpZn2 | Np2 Zn4 In2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | 9.177846 | 17.182531 | pbe | true | c96ac3c519fabd4060c6b6aea8a6999e_51_Np2Zn4In2 |
[
"In",
"O",
"P"
] | 5 | A3BC | InOP3 | In1 P3 O1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.06251548,
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
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"P",
"O",
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0.6
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[
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] | 2.732337 | 4.683286 | pbe | true | 8116266fbf9b46feef4265d3aa7665bb_221_In1P3O1 |
[
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"O",
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] | 5 | A3BC | InO3Pt | In1 Pt1 O3 | 3 | [
1,
1,
1
] | 3 | [
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4.11033185,
0,
0
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[
0,
4.11033185,
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"O",
"O",
"O",
"Pt",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
46.319653,
0,
0
],
[
0,
46.319653,
0
],
[
0,
0,
46.319653
]
] | -22.306726 | [
0.614,
0.409,
0.485,
1.279,
-0.009
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.00085 | 3.797935 | pbe | true | 1ea9fc0f77da27787aa140404902e7ca_221_In1Pt1O3 |
[
"In",
"O",
"Te"
] | 4 | A2BC | InO2Te | In1 Te1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.10449113,
3.10449113
],
[
3.10449113,
0,
3.10449113
],
[
3.10449113,
3.10449113,
0
]
] | agm002718588 | [
[
3.10449113,
3.10449113,
3.10449113
],
[
1.552245565,
1.552245565,
1.552245565
],
[
4.656736695,
4.656736695,
4.656736695
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Te",
"O",
"O",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-0.8261836,
0,
0
],
[
0,
-0.8261836,
0
],
[
0,
0,
-0.8261836
]
] | -15.702027 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.440621 | pbe | true | 2a7efc6e6b9df99e4ebfe5bf8b7c0d00_225_In1Te1O2 |
[
"In",
"O",
"V"
] | 8 | A4B3C | In3O4V | V1 In3 O4 | 3 | [
1,
1,
1
] | 3 | [
[
5.85954607,
0,
0
],
[
2.92977304,
5.23315086,
-0.29725399
],
[
2.92977304,
0.97664784,
5.14979484
]
] | agm002173988 | [
[
5.859546075000001,
3.0324579251026202,
2.51897374903777
],
[
5.859546106107483,
3.541611880361537,
4.183751089013441
],
[
5.859546043892518,
1.293972819075044,
2.4273720358650097
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[
4.34882366853565,
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1.7861042137281362
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[
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1.7861042137281362
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[
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4.652141033676755,
3.5652336134209857
],
[
2.92977304,
4.968557395665247,
0.0413463853687611
],
[
2.929773037563158,
1.6256807559558049,
1.2002580581677609
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"V",
"O",
"O",
"O",
"O",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.375,
0.5,
0.125
] | [
[
0.61972785,
0,
0
],
[
0,
0.6772778,
-0.26084718
],
[
0,
-0.26084718,
0.8072495
]
] | -45.64147 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00202986,
0.00259761
],
[
0,
-0.00056672,
-0.00368344
],
[
0,
0.00371119,
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[
0.0008213,
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[
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[
0,
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0.00284242
],
[
0,
0.00089503,
-0.00114537
],
[
0,
-0.00227591,
0.00262263
]
] | 0 | 0 | pbe | true | c8a872784143415c4454cd62925164c5_44_V1In3O4 |
[
"In",
"Os",
"Tl"
] | 3 | ABC | InOsTl | Tl1 In1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.60448104,
0,
0
],
[
2.30224052,
3.98759755,
0
],
[
2.30224052,
1.32919918,
3.75954303
]
] | agm004328464 | [
[
0,
0,
0
],
[
4.60448104,
2.658398365,
1.879771515
],
[
6.906721559999999,
3.9875975474999996,
2.8196572725
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"In",
"Os",
"Tl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
7.1086655,
0,
0
],
[
0,
7.1086655,
0
],
[
0,
0,
7.1086655
]
] | -12.514814 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000022 | 2.145814 | pbe | true | d606c592d017be842031cfcfb9929d9c_216_Tl1In1Os1 |
[
"In",
"Os",
"Y"
] | 6 | A4BC | In4OsY | Y1 In4 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.10874508,
4.10874508
],
[
4.10874508,
0,
4.10874508
],
[
4.10874508,
4.10874508,
0
]
] | agm005443292 | [
[
0,
0,
0
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[
3.083678429411871,
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5.133811771675581
],
[
5.133811771675581,
5.133811771675581,
3.083678429411871
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[
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3.083678429411871,
5.133811771675581
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[
3.083678429411871,
3.083678429411871,
3.083678429411871
],
[
6.16311762,
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6.16311762
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"In",
"In",
"In",
"In",
"Os"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
5.43742,
0,
0
],
[
0,
5.43742,
0
],
[
0,
0,
5.43742
]
] | -25.706501 | [
0.053,
0.033,
0.033,
0.033,
0.033,
1.224
] | [
[
0,
0,
0
],
[
0.00124086,
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],
[
-0.00124086,
-0.00124086,
0.00124086
],
[
-0.00124086,
0.00124086,
-0.00124086
],
[
0.00124086,
0.00124086,
0.00124086
],
[
0,
0,
0
]
] | 1.602098 | 5.86977 | pbe | true | 5ae342b63147ffecbaa6e52c4800beb1_216_Y1In4Os1 |
[
"In",
"Os",
"Zr"
] | 3 | ABC | InOsZr | Zr1 In1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.6453398,
0,
0
],
[
-2.3226699,
4.02298228,
0
],
[
0,
0,
3.06230688
]
] | agm004221539 | [
[
0,
0,
0.2946298120926336
],
[
2.3226699232266994,
1.3409940799233924,
0.8697648520245888
],
[
-2.3226699192639635e-8,
2.6819882000766078,
1.8979121852597087
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"In",
"Os",
"Zr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
7.5276217,
0,
0
],
[
0,
7.5276217,
0
],
[
0,
0,
7.0739546
]
] | -22.535514 | [
0,
0,
0
] | [
[
0,
0,
-0.00084658
],
[
0,
0,
0.00551245
],
[
0,
0,
-0.00466587
]
] | -0.000015 | 2.781976 | pbe | true | 8143f0d900c3575f7923a269518f8ba7_156_Zr1In1Os1 |
[
"In",
"Os",
"Zr"
] | 6 | A4BC | InOsZr4 | Zr4 In1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.97404226,
3.97404226
],
[
3.97404226,
0,
3.97404226
],
[
3.97404226,
3.97404226,
0
]
] | agm005484173 | [
[
2.9695763732210128,
4.97850818651941,
4.97850818651941
],
[
4.97850818651941,
4.97850818651941,
2.9695763732210128
],
[
4.97850818651941,
2.9695763732210128,
4.97850818651941
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[
2.9695763732210128,
2.9695763732210128,
2.9695763732210128
],
[
5.96106339,
5.96106339,
5.96106339
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Zr",
"Zr",
"Zr",
"Zr",
"In",
"Os"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
6.902044,
0,
0
],
[
0,
6.902044,
0
],
[
0,
0,
6.902044
]
] | -45.700398 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00741709,
-0.00741709,
-0.00741709
],
[
-0.00741709,
-0.00741709,
0.00741709
],
[
-0.00741709,
0.00741709,
-0.00741709
],
[
0.00741709,
0.00741709,
0.00741709
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000022 | 8.090984 | pbe | true | 109b7cf0f11ef4c328f0e9fae97939f6_216_Zr4In1Os1 |
[
"In",
"P",
"Ru"
] | 3 | ABC | InPRu | In1 P1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
2.9710927,
0,
0
],
[
0,
2.9710927,
0
],
[
0,
0,
5.87209577
]
] | agm002124176 | [
[
0,
0,
0.17740388182003178
],
[
0,
0,
3.4334299577727903
],
[
1.48554635,
1.48554635,
2.2533346598386355
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"In",
"P",
"Ru"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.136836,
0,
0
],
[
0,
5.136836,
0
],
[
0,
0,
5.2610583
]
] | -18.18621 | [
0,
0,
0
] | [
[
0,
0,
0.00367818
],
[
0,
0,
-0.00665709
],
[
0,
0,
0.00297891
]
] | 0.000003 | 1.261356 | pbe | true | 9a63c607c0100cd7513f04930c560b89_99_In1P1Ru1 |
[
"In",
"P",
"Ru"
] | 4 | A2BC | InP2Ru | In1 P2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
8.91046978,
-0.01966573,
-0.01157828
],
[
8.3911411,
2.99760063,
-0.01157828
],
[
8.3911411,
1.4442743,
2.62674996
]
] | agm004431416 | [
[
19.269563985,
3.3166569,
1.9526950500000002
],
[
25.196750833750905,
4.33683800917308,
2.55333076905366
],
[
13.342377136249096,
2.29647579082692,
1.35205933094634
],
[
6.423187994999999,
1.1055523,
0.6508983500000001
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"In",
"P",
"P",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.865856,
-0.00080817,
-0.00047582
],
[
-0.00080817,
3.8704123,
-0.0000819
],
[
-0.00047582,
-0.0000819,
3.8705032
]
] | -22.763152 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00056566,
-0.00009736,
-0.00005732
],
[
0.00056566,
0.00009736,
0.00005732
],
[
0,
0,
0
]
] | 0.000014 | 2.125576 | pbe | true | 5bab7fbce2755298d3569e1a4e027181_166_In1P2Ru1 |
[
"In",
"P",
"Sr"
] | 10 | A2B2C | InP2Sr2 | Sr4 In2 P4 | 3 | [
1,
1,
1
] | 3 | [
[
7.86870279,
0,
0
],
[
0,
7.86870279,
0
],
[
0,
0,
4.22271692
]
] | agm003007335 | [
[
1.1651358972003545,
5.0994872922003545,
2.11135846
],
[
5.0994872922003545,
6.703566892799646,
2.11135846
],
[
6.703566892799646,
2.769215497799646,
2.11135846
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[
2.769215497799646,
1.1651358972003545,
2.11135846
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[
2.6529964887059596,
6.587347883705959,
0
],
[
6.587347883705959,
5.215706301294041,
0
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[
5.215706301294041,
1.2813549062940406,
0
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[
1.2813549062940406,
2.6529964887059596,
0
],
[
0,
0,
0
],
[
3.934351395,
3.934351395,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"P",
"P",
"P",
"P",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
-0.5871717,
0,
0
],
[
0,
-0.5871717,
0
],
[
0,
0,
2.0484
]
] | -40.68434 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00700106,
0.00700106,
0
],
[
0.00700106,
-0.00700106,
0
],
[
-0.00700106,
-0.00700106,
0
],
[
-0.00700106,
0.00700106,
0
],
[
-0.01942853,
-0.01942853,
0
],
[
-0.01942853,
0.01942853,
0
],
[
0.01942853,
0.01942853,
0
],
[
0.01942853,
-0.01942853,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 10.299373 | pbe | true | f5afd7c9cf727cc50a582a92c77d16fd_127_Sr4In2P4 |
[
"In",
"P",
"Tc"
] | 4 | A2BC | InP2Tc | In1 Tc1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
3.00725893,
0,
0
],
[
0,
3.00725893,
0
],
[
0,
0,
7.52260491
]
] | agm004044213 | [
[
1.503629465,
1.503629465,
5.6419536825000005
],
[
0,
0,
0.4924464175915002
],
[
0,
0,
3.2688560374085
],
[
1.503629465,
1.503629465,
1.8806512275
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"In",
"P",
"P",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
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3.4346278,
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[
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] | -24.382006 | [
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[
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[
0,
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[
0,
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0
]
] | 0 | 1.178134 | pbe | true | ad5f7fe08a060c6ee6e07cd8fcb64876_123_In1Tc1P2 |
[
"In",
"Pb",
"Sm"
] | 8 | A3B3C2 | In3Pb3Sm2 | Sm2 In3 Pb3 | 3 | [
1,
1,
1
] | 3 | [
[
4.95026774,
0,
0
],
[
0,
4.74041725,
0
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[
0,
0,
9.41910804
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"Sm",
"Sm",
"In",
"In",
"In",
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"Pb",
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[
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] | 0.000001 | 3.128482 | pbe | true | 5e9bce14b9d680d9041468031e8acfa6_47_Sm2In3Pb3 |
[
"In",
"Pb",
"Sn"
] | 10 | A3BC | InPb3Sn | In2 Sn2 Pb6 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
6.89338578,
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[
-3.001108,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"In",
"In",
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"Sn",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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] | 0 | 6.025887 | pbe | true | 002175f17c2e557ea7e0347e5f4c8ce5_12_In2Sn2Pb6 |
[
"In",
"Pb",
"Ta"
] | 5 | A3BC | In3PbTa | Ta1 In3 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.41312054,
0,
0
],
[
0,
5.41312054,
0
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[
0,
0,
5.41312054
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] | agm002498546 | [
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[
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"Pb",
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"In",
"In",
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] | 2023-11-16 06:57:59 | [
0.6,
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[
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[
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] | -20.790534 | [
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[
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[
0,
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[
0,
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0
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] | 0 | 2.059439 | pbe | true | fe3066b2175dced9228dfb4915752f6f_221_Ta1In3Pb1 |
[
"In",
"Pb",
"Tl"
] | 12 | A7B3C2 | In3Pb2Tl7 | Tl7 In3 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
3.3424699,
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0
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[
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6.41794577,
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[
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"Tl",
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"Tl",
"Tl",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
0,
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] | 0 | 6.150009 | pbe | true | 721631e2b938b9c0fca1cf1f30b98006_10_Tl7In3Pb2 |
[
"In",
"Pd",
"Pr"
] | 10 | A5B4C | In4PdPr5 | Pr5 In4 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
3.6841787,
0
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[
0,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Pr",
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"Pr",
"Pr",
"Pr",
"In",
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"In",
"In",
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] | 2023-11-16 06:57:59 | [
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0.5
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[
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[
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[
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] | 0.000001 | 4.043792 | pbe | true | ecf1cc8140dfccb60e135f981892f883_123_Pr5In4Pd1 |
[
"In",
"Pd",
"Pr"
] | 24 | A11B9C4 | In9Pd4Pr11 | Pr11 In9 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
0,
12.52956037,
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[
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
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"In",
"In",
"In",
"In",
"In",
"Pd",
"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
0.375,
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[
0,
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] | -0.000212 | 19.536901 | pbe | true | 8c6600f35e58995d609bff161dd14189_65_Pr11In9Pd4 |
[
"In",
"Pd",
"Si"
] | 5 | A2B2C | InPd2Si2 | In1 Si2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
3.6964864,
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[
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] | agm002946660 | [
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] | -0.00053 | 12.666654 | pbe | true | b3423fa57f550e64acea92953136992d_12_Pm8In1Si2 |
[
"In",
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1,
1,
1
] | 3 | [
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] | -0.000018 | 16.518787 | pbe | true | cad7c1a4aac66ca639ff8f4455c2a3e0_87_Pm4Sm5In4 |
[
"In",
"Pm",
"Y"
] | 4 | A2BC | In2PmY | Pm1 Y1 In2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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1,
1,
1
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] | 0.009134 | 9.955565 | pbe | true | 8988d685bdb280a7f7ee358a12c6349f_14_Pr4In2S12 |
[
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1,
1,
1
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] | 0 | 12.838679 | pbe | true | ec94e893e861fe37c166a6a7afe418f0_15_Pr8In2Tc2 |
[
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"Tl"
] | 12 | A6B5C | InPr6Tl5 | Pr6 Tl5 In1 | 3 | [
1,
1,
1
] | 3 | [
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] | -0.000006 | 9.452834 | pbe | true | 145c9f2928755476433bce4bcfa3d0e8_71_Pr6Tl5In1 |
[
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1,
1,
1
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[
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0,
0
]
] | -0.005942 | 12.92601 | pbe | true | 6c9becf4991ffa290e7a1e0b62ea544d_12_In1Pt6Rh1 |
[
"In",
"Sr",
"Y"
] | 3 | ABC | InSrY | Sr1 Y1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.77538972,
3.77538972
],
[
3.77538972,
0,
3.77538972
],
[
3.77538972,
3.77538972,
0
]
] | agm003148881 | [
[
3.77538972,
3.77538972,
3.77538972
],
[
5.6630845800000005,
5.6630845800000005,
5.6630845800000005
],
[
1.88769486,
1.88769486,
1.88769486
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"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"]}] | [
"Y",
"Sr",
"In"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.5190015,
0,
0
],
[
0,
1.5190015,
0
],
[
0,
0,
1.5190015
]
] | -10.155154 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.560116 | pbe | true | 429fb8b4efa4e378db558aae2601ed0d_216_Sr1Y1In1 |
[
"In",
"Pt",
"Ru"
] | 5 | A3BC | InPtRu3 | In1 Ru3 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.80389023,
0,
0
],
[
0,
4.80389023,
0
],
[
0,
0,
4.80389023
]
] | agm002579345 | [
[
0,
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0
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[
0,
0,
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[
2.401945115,
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0
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[
0,
0,
0
],
[
2.401945115,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Ru",
"Ru",
"Ru",
"Pt",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
6.777042,
0,
0
],
[
0,
6.777042,
0
],
[
0,
0,
6.777042
]
] | -28.5428 | [
1.363,
2.12,
0.839,
0.484,
-0.022
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.85232 | 7.410315 | pbe | true | 4543a0255b444b1da6c0fc668b69eebe_221_In1Ru3Pt1 |
[
"In",
"Pt",
"S"
] | 8 | A2BC | InPt2S | In2 Pt4 S2 | 3 | [
1,
1,
1
] | 3 | [
[
4.9338881,
0,
0
],
[
0,
4.9338881,
0
],
[
2.46694405,
2.46694405,
7.12714714
]
] | agm002883779 | [
[
2.46694405,
2.46694405,
0
],
[
2.46694405,
4.9338881,
3.56357357
],
[
3.191531846694259,
1.233472025,
1.781786785
],
[
1.7423562533057408,
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[
3.7004160749999997,
4.209300303305741,
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[
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5.345360355
],
[
0,
0,
0
],
[
4.9338881,
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]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"S",
"S",
"Pt",
"Pt",
"Pt",
"Pt",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.0067015,
0,
0
],
[
0,
4.0067015,
0
],
[
0,
0,
3.5035748
]
] | -39.713765 | [
0,
0,
-0.001,
-0.001,
0.001,
0.001,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
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0,
0
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[
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[
0,
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0
],
[
0,
0.02944465,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.402589 | pbe | true | 8d857c2a03865ec63de851e6e5a4db88_122_In2Pt4S2 |
[
"In",
"Pt",
"Se"
] | 6 | ABC | InPtSe | In2 Pt2 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
4.08524253,
-0.07311223,
-0.06234837
],
[
0.08875222,
4.97620843,
-0.01303662
],
[
0.09824217,
0.01504035,
6.39433574
]
] | agm001010214 | [
[
1.0869401302211086,
1.6345244735757654,
1.583743034146311
],
[
3.22327456372062,
4.093571017018764,
4.757923747556156
],
[
3.197182438548734,
1.6003726752911323,
5.9661504482716206
],
[
1.1124140550345563,
4.111955386622498,
0.37553567941567345
],
[
3.1237458660609625,
0.4161993676862191,
2.556081319689526
],
[
1.1441465714217287,
2.9436608752061577,
3.7920213421963145
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Pt",
"Pt",
"In",
"In",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.7590454,
0.00773784,
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[
0.00773775,
3.9316256,
-0.00085114
],
[
-0.00279984,
-0.00085095,
3.8773415
]
] | -26.233128 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00046376,
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-0.00366622
],
[
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0.00441031
],
[
0.00066254,
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0.00201598
],
[
0.00062656,
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[
-0.00016741,
0.00370412,
0.0011812
],
[
0.00005031,
0.00321867,
-0.00243997
]
] | -0 | 2.67847 | pbe | true | 8b22b86cfaecca8fab57aca5690c786f_31_In2Pt2Se2 |
[
"In",
"Pt",
"Tc"
] | 4 | A2BC | InPtTc2 | In1 Tc2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
2.80822088,
0.00431769,
0
],
[
-0.00403163,
2.8082213,
0
],
[
0,
0,
8.2047072
]
] | agm003924191 | [
[
1.402094625,
1.406269495,
2.0511768
],
[
1.402094625,
1.406269495,
6.153530399999999
],
[
0,
0,
8.089474876976448
],
[
0,
0,
4.217585923023552
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"In",
"Pt",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.7525954,
-0.08544825,
0
],
[
-0.08544825,
7.7520876,
0
],
[
0,
0,
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]
] | -28.6606 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
-0.00422332
],
[
0,
0,
0.00422332
]
] | 0.000085 | 3.562717 | pbe | true | de703a8326c31b4ebf1773f853162a30_123_In1Tc2Pt1 |
[
"In",
"Pt",
"Tc"
] | 4 | A2BC | InPtTc2 | In1 Tc2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.52566257,
0,
0
],
[
2.26283129,
3.91933876,
0
],
[
2.26283129,
1.30644625,
3.69518802
]
] | agm004216575 | [
[
4.525662574999999,
2.612892505,
1.84759401
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[
6.788493862499999,
3.9193387575,
2.771391015
],
[
0,
0,
0
],
[
2.2628312874999996,
1.3064462525,
0.923797005
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"In",
"Pt",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
8.049065,
0,
0
],
[
0,
8.049065,
0
],
[
0,
0,
8.049065
]
] | -28.616225 | [
0.005,
0.123,
1.128,
-0.231
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.118684 | 3.637843 | pbe | true | cf4fbeaa7b22f7aeba89b65f9a35224a_216_In1Tc2Pt1 |
[
"In",
"Pt",
"V"
] | 7 | A5BC | In5PtV | V1 In5 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.68722496,
0,
0
],
[
0,
4.68722496,
0
],
[
0,
0,
7.03351207
]
] | agm002359016 | [
[
0,
0,
0
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[
0,
0,
3.516756035
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[
2.34361248,
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0
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[
2.34361248,
0,
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[
0,
2.34361248,
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],
[
2.34361248,
0,
1.9715779760360812
],
[
0,
2.34361248,
5.061934093963918
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"V",
"Pt",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.7142857142857143,
0.14285714285714285,
0.14285714285714285
] | [
[
5.7416816,
0,
0
],
[
0,
5.7416816,
0
],
[
0,
0,
5.919782
]
] | -28.883597 | [
2.436,
0,
-0.03,
-0.039,
-0.023,
-0.039,
-0.023
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
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[
0,
0,
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],
[
0,
0,
-0.00456725
],
[
0,
0,
0.00456725
]
] | 2.670823 | 4.828886 | pbe | true | cfcfa42d0dbfaf47d66b8c96cf07265e_123_V1In5Pt1 |
[
"In",
"Pt",
"W"
] | 4 | A2BC | InPtW2 | In1 Pt1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
4.96865046,
0.00434732,
0.00186481
],
[
4.18822496,
2.67325233,
0.00186481
],
[
0.60764055,
0.17768267,
5.13061816
]
] | agm004412151 | [
[
4.919968308868102,
1.4386681911834398,
2.4850797704531318
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[
2.514508669267418,
0.7352778334054241,
1.3385237526336131
],
[
9.6658673911577,
2.8264360829172763,
5.045063519834219
],
[
7.31094573884429,
2.1378237460458527,
3.9672024071536285
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"In",
"Pt",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
8.499323,
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0.09941693
],
[
-0.07287112,
8.727219,
0.02907091
],
[
0.09941696,
0.02907092,
8.510447
]
] | -33.666053 | [
0,
0,
0,
0
] | [
[
0.00306589,
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[
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[
0.00882856,
0.00258159,
0.00039874
],
[
-0.01175937,
-0.0034386,
-0.00096904
]
] | 0 | 2.849891 | pbe | true | 74443267c21c11babdd514e3e2dccf04_8_In1Pt1W2 |
[
"In",
"Pt",
"Zr"
] | 8 | A2BC | In2PtZr | Zr2 In4 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.23720696,
-0.00526717,
0
],
[
-2.12119911,
5.1631879,
0
],
[
0,
0,
7.61047937
]
] | agm002326327 | [
[
2.11921964064882,
4.479744103140428,
1.9026198425
],
[
-0.0032117906488202544,
0.6781766268595716,
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[
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[
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[
0.0021116390195648127,
3.796894770730393,
7.235733581856879
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[
2.113896210980435,
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[
2.113896210980435,
1.3610259592696072,
3.4304938968568788
],
[
0.0021116390195648127,
3.796894770730393,
4.179985473143121
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Zr",
"Zr",
"Pt",
"Pt",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.236936,
0.596635,
0
],
[
0.5966356,
5.7686505,
0
],
[
0,
0,
4.746495
]
] | -43.920883 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.01520994,
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0
],
[
0.01520994,
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0
],
[
0.00542402,
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0
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[
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0
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[
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[
0.00445966,
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[
0.00445966,
0.01545019,
-0.01533071
],
[
-0.00445966,
-0.01545019,
0.01533071
]
] | 0 | 2.743796 | pbe | true | f09040cfb1b9845230b1896568f0600d_11_Zr2In4Pt2 |
[
"In",
"Pu",
"Sn"
] | 6 | A4BC | In4PuSn | Pu1 In4 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
6.11752095,
0,
0
],
[
3.05876047,
5.29792855,
0
],
[
3.05876047,
1.76597618,
4.99493494
]
] | agm001176956 | [
[
6.117524035597518,
3.5319506179330147,
0.6252117107957517
],
[
6.117524035597518,
1.7667721243757795,
3.121551074739553
],
[
7.646213449545369,
4.414539862212762,
3.121551074739553
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[
4.588834616651926,
4.414539862212762,
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],
[
3.0587604725000004,
1.7659761825,
1.248733735
],
[
0,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"In",
"In",
"In",
"In",
"Sn",
"Pu"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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0.16666666666666666
] | [
[
5.989241,
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0
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[
0,
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],
[
0,
0,
5.989241
]
] | -29.037107 | [
0.014,
0.014,
0.014,
0.014,
0.018,
5.603
] | [
[
0,
0,
0.00096562
],
[
0,
0.0009104,
-0.00032187
],
[
-0.00078843,
-0.0004552,
-0.00032187
],
[
0.00078843,
-0.0004552,
-0.00032187
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.285142 | 19.509846 | pbe | true | 63617a0606bd15bcd4376c3cb30adbc1_216_Pu1In4Sn1 |
[
"In",
"Pu",
"Th"
] | 12 | A9B2C | In9PuTh2 | Pu1 Th2 In9 | 3 | [
1,
1,
1
] | 3 | [
[
4.71291576,
0,
0
],
[
0,
4.71291576,
0
],
[
0,
0,
14.14672636
]
] | agm005897204 | [
[
0,
0,
0
],
[
0,
0,
4.696636617730392
],
[
0,
0,
9.450089742269608
],
[
2.35645788,
2.35645788,
0
],
[
2.35645788,
2.35645788,
4.67454325077219
],
[
2.35645788,
2.35645788,
9.47218310922781
],
[
2.35645788,
0,
2.278592702051978
],
[
2.35645788,
0,
7.07336318
],
[
2.35645788,
0,
11.868133657948023
],
[
0,
2.35645788,
2.278592702051978
],
[
0,
2.35645788,
7.07336318
],
[
0,
2.35645788,
11.868133657948023
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Pu",
"Th",
"Th",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.75,
0.08333333333333333,
0.16666666666666666
] | [
[
5.0556164,
0,
0
],
[
0,
5.0556164,
0
],
[
0,
0,
4.918827
]
] | -57.5525 | [
5.364,
0.002,
0.002,
0.009,
0,
0,
0.009,
0,
0.009,
0.009,
0,
0.009
] | [
[
0,
0,
0
],
[
0,
0,
0.0045594
],
[
0,
0,
-0.0045594
],
[
0,
0,
0
],
[
0,
0,
0.00555789
],
[
0,
0,
-0.00555789
],
[
0,
0,
0.0123533
],
[
0,
0,
0
],
[
0,
0,
-0.0123533
],
[
0,
0,
0.0123533
],
[
0,
0,
0
],
[
0,
0,
-0.0123533
]
] | 5.743215 | 16.605589 | pbe | true | 71b80b083992e5b4387cac825278fe90_123_Pu1Th2In9 |
[
"In",
"Rb",
"Sn"
] | 4 | A2BC | InRbSn2 | Rb1 In1 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
4.34878876,
0,
0
],
[
0,
7.33780367,
0.49450994
],
[
-2.17439438,
-1.32977384,
4.71411112
]
] | agm003617429 | [
[
2.17439438,
0,
0
],
[
0,
3.668901835,
0.24725497
],
[
-2.174394398250839e-8,
1.9050468222536598,
2.5625702184023385
],
[
2.1743944017439434,
4.102983007746339,
2.6460508415976616
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"In",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.5317798,
0,
0
],
[
0,
2.5349731,
-0.01935347
],
[
0,
-0.01935328,
2.4366598
]
] | -12.113588 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00276564,
0.00200548
],
[
0,
0.00276564,
-0.00200548
]
] | -0 | 1.106235 | pbe | true | 9917e710d0ad580de9dd84030a2e1e74_12_Rb1In1Sn2 |
[
"In",
"Rb",
"Sr"
] | 4 | A2BC | InRbSr2 | Rb1 Sr2 In1 | 3 | [
1,
1,
1
] | 3 | [
[
4.17174664,
0,
0
],
[
0,
4.17174664,
0
],
[
0,
0,
11.51030535
]
] | agm001813186 | [
[
0,
0,
9.600771590622038
],
[
0,
0,
1.9095337593779624
],
[
2.08587332,
2.08587332,
5.755152675
],
[
2.08587332,
2.08587332,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Rb",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.2165862,
0,
0
],
[
0,
1.2165862,
0
],
[
0,
0,
1.3558189
]
] | -7.716249 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00060349
],
[
0,
0,
-0.00060349
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 2.812944 | pbe | true | 870180053045f534b6620e4f99a3fd44_123_Rb1Sr2In1 |
[
"In",
"Rh",
"Sc"
] | 4 | A2BC | InRhSc2 | Sc2 In1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.39676401,
3.39676401
],
[
3.39676401,
0,
3.39676401
],
[
3.39676401,
3.39676401,
0
]
] | agm002733056 | [
[
1.698382005,
1.698382005,
1.698382005
],
[
5.095146015,
5.095146015,
5.095146015
],
[
0,
0,
0
],
[
3.39676401,
3.39676401,
3.39676401
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Rh",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.0701823,
0,
0
],
[
0,
6.0701823,
0
],
[
0,
0,
6.0701823
]
] | -25.237739 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.450231 | pbe | true | c71932097c4e4dfc4d083133c4a1329b_225_Sc2In1Rh1 |
[
"In",
"Rh",
"Tm"
] | 3 | ABC | InRhTm | Tm1 In1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.31814013,
0,
0
],
[
0,
4.68061052,
0
],
[
0,
-2.34030526,
4.05352762
]
] | agm001273464 | [
[
2.212443727113991,
2.340305283403053,
1.3511758598215744
],
[
0.5533670590151326,
-2.3403052643832732e-8,
2.7023517601784253
],
[
0.5523293438708763,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tm",
"Rh",
"In"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.488715,
0,
0
],
[
0,
6.2167506,
0
],
[
0,
0,
6.2167506
]
] | -16.239648 | [
0,
0,
0
] | [
[
-0.0032734,
0,
0
],
[
-0.00106573,
0,
0
],
[
0.00433913,
0,
0
]
] | -0 | 2.29053 | pbe | true | cc548a59fbf85b74a33cd74f1e744ca5_187_Tm1In1Rh1 |