LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Ca", "O", "Pa" ]

12

A8B3C

CaO8Pa3

Ca1 Pa3 O8

3

[ 1, 1, 1 ]

3

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agm005974348

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[ "Ca", "Pa", "Pa", "Pa", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.25 ]

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-109.91512

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1.039356

7.347263

pbe

true

8911f64784d83030339b6e57ae83a9d2_166_Ca1Pa3O8

[ "Ca", "O", "S" ]

24

A4BC

CaO4S

Ca4 O16 S4

3

[ 1, 1, 1 ]

3

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mp-12372

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[ "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "S", "S", "S", "S", "Ca", "Ca", "Ca", "Ca" ]

2011-06-07 02:13:35

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-156.11471

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null

2.0207

pbe

true

16507628b7b8ef337060e953dc40132b_14_Ca4S4O16

[ "Ca", "O", "Ti" ]

80

A12B5C3

Ca3O12Ti5

Ca12 Ti20 O48

3

[ 1, 1, 1 ]

3

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agm001250575

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

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2023-11-16 06:57:59

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8.103822

38.066746

pbe

true

0c4fc3ed2c02d48bc0e1f797ffe7b99e_230_Ca12Ti20O48

[ "Ca", "O", "V" ]

15

A8B6C

Ca6O8V

Ca6 V1 O8

3

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3

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[ "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "V", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-100.571815

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1

7.521219

pbe

true

25a47f73f0529ccdd9ed1975c4fc8672_225_Ca6V1O8

[ "Ca", "Pd", "Sb" ]

11

A5B4C2

Ca2Pd5Sb4

Ca2 Sb4 Pd5

3

[ 1, 1, 1 ]

3

[ [ 5.91398232, 0, 0 ], [ 2.95699115, 5.21244838, 0 ], [ 2.95699116, 0, 8.19665925 ] ]

agm003366158

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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Ca", "Ca", "Sb", "Sb", "Sb", "Sb", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.45454545454545453, 0.36363636363636365 ]

[ [ 3.3713827, 0, 0 ], [ 0, 3.28783, 0 ], [ 0, 0, 3.4234927 ] ]

-52.873071

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00265298 ], [ 0, 0, 0.00265298 ], [ 0, 0.00001549, 0.00294726 ], [ 0, -0.00001549, -0.00294726 ], [ 0, 0.00001549, -0.00294726 ], [ 0, -0.00001549, 0.00294726 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000001

4.196407

pbe

true

426962d0f6e174cf0b59e9fb52b54545_69_Ca2Sb4Pd5

[ "Ca", "Pd", "Tl" ]

3

ABC

CaPdTl

Ca1 Tl1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 4.81219959, 0, 0 ], [ 2.4060998, 4.1674871, 0 ], [ 2.4060998, 1.38916237, 3.92914452 ] ]

agm001240075

[ [ 0, 0, 0 ], [ 4.812199594999999, 2.778324735, 1.96457226 ], [ 2.4060997974999996, 1.3891623675, 0.98228613 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Tl", "Ca", "Pd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.8635364, 0, 0 ], [ 0, 4.8635364, 0 ], [ 0, 0, 4.8635364 ] ]

-10.943909

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000002

1.910346

pbe

true

8c357731d68792c9037a2d97b31a1ee5_216_Ca1Tl1Pd1

[ "Ca", "Pt", "Si" ]

10

A2B2C

Ca2Pt2Si

Ca4 Si2 Pt4

3

[ 1, 1, 1 ]

3

[ [ 8.36682919, 0, 0 ], [ 0, 8.36682919, 0 ], [ 0, 0, 3.08852329 ] ]

agm003019417

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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Ca", "Ca", "Ca", "Ca", "Si", "Si", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 2.9174163, 0, 0 ], [ 0, 2.9174163, 0 ], [ 0, 0, 3.4048498 ] ]

-45.286981

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.0044293, 0.0044293, 0 ], [ 0.0044293, -0.0044293, 0 ], [ -0.0044293, -0.0044293, 0 ], [ -0.0044293, 0.0044293, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00183176, 0.00183176, 0 ], [ 0.00183176, -0.00183176, 0 ], [ -0.00183176, -0.00183176, 0 ], [ -0.00183176, 0.00183176, 0 ] ]

0

3.581842

pbe

true

7f7ee08ead9a85e10ec53fe499132b06_127_Ca4Si2Pt4

[ "Ca", "Pt", "Si" ]

8

A2BC

CaPtSi2

Ca2 Si4 Pt2

3

[ 1, 1, 1 ]

3

[ [ 4.69435433, 0, 0 ], [ 0, 4.69435433, 0 ], [ 2.34717717, 2.34717717, 8.22725883 ] ]

agm002890136

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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Ca", "Ca", "Si", "Si", "Si", "Si", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.3958082, 0, 0 ], [ 0, 3.3958082, 0 ], [ 0, 0, 3.9420943 ] ]

-41.696697

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01704378, 0, 0 ], [ -0.01704378, 0, 0 ], [ 0, -0.01704378, 0 ], [ 0, 0.01704378, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

2.58956

pbe

true

746d3d236f3054ce67bdd1597ce2bf34_122_Ca2Si4Pt2

[ "Ca", "Pu", "Sb" ]

6

A3B2C

CaPu2Sb3

Ca1 Pu2 Sb3

3

[ 1, 1, 1 ]

3

[ [ 4.4692303, 0, 0 ], [ 0, 6.26415683, 0 ], [ -2.23461515, -3.13207841, 6.70036636 ] ]

agm003431758

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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Ca", "Pu", "Pu", "Sb", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.3333333333333333, 0.5 ]

[ [ 1.5823616, 0, 0 ], [ 0, 1.6025912, 0 ], [ 0, 0, 1.6490109 ] ]

-47.008086

[ 0.05, -5.042, -5.042, 0.138, 0.141, 0.138 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00204886 ], [ 0, 0, 0.00204886 ], [ 0, 0, 0.00007532 ], [ 0, 0, 0 ], [ 0, 0, -0.00007532 ] ]

-9.442174

29.463503

pbe

true

42ff83f707b65d3c117bd3f3b91eb5c7_71_Ca1Pu2Sb3

[ "Ca", "Re", "Zr" ]

5

A2B2C

Ca2Re2Zr

Ca2 Zr1 Re2

3

[ 1, 1, 1 ]

3

[ [ -2.48936949, 2.48936949, 4.38008029 ], [ 2.48936949, -2.48936949, 4.38008029 ], [ 2.48936949, 2.48936949, -4.38008029 ] ]

agm005418797

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "Ca", "Ca", "Zr", "Re", "Re" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 3.8765974, 0, 0 ], [ 0, 3.8765974, 0 ], [ 0, 0, 3.880867 ] ]

-29.869477

[ 0.014, 0.014, -0.133, 0.524, 0.524 ]

[ [ 0, 0, 0.00571037 ], [ 0, 0, -0.00571037 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.989378

7.309024

pbe

true

cc7ae406c79b48c01e8745b23ca6b908_139_Ca2Zr1Re2

[ "Ca", "Rh", "Y" ]

5

A2B2C

CaRh2Y2

Ca1 Y2 Rh2

3

[ 1, 1, 1 ]

3

[ [ 4.65340574, 0, 0 ], [ 0, 4.65340574, 0 ], [ 2.32670287, 2.32670287, 5.87066611 ] ]

agm002915682

[ [ 4.65340574, 2.32670287, 2.935333055 ], [ 2.32670287, 4.65340574, 2.935333055 ], [ 0, 0, 0 ], [ 2.3267028467329713, 2.3267028467329713, 1.292816310572932 ], [ 4.6534057632670285, 4.6534057632670285, 4.577849799427068 ] ]

[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Y", "Ca", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 4.201552, 0, 0 ], [ 0, 4.201552, 0 ], [ 0, 0, 5.170641 ] ]

-32.120866

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00290882 ], [ 0, 0, -0.00290882 ] ]

0

0.741149

pbe

true

9d5a1dcad26ba8aafeebcb80cb36227c_139_Ca1Y2Rh2

[ "Ca", "Sc", "Zn" ]

4

A2BC

CaSc2Zn

Ca1 Sc2 Zn1

3

[ 1, 1, 1 ]

3

[ [ 3.43011391, 0, 0 ], [ 0, 3.43011391, 0 ], [ 0, 0, 8.51604005 ] ]

agm003844785

[ [ 0, 0, 0.32732268568260103 ], [ 1.715056955, 1.715056955, 2.438154784893874 ], [ 0, 0, 3.9732673203193394 ], [ 1.715056955, 1.715056955, 6.0353151989437865 ] ]

[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Sc", "Sc", "Zn", "Ca" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.6003017, 0, 0 ], [ 0, 2.6003017, 0 ], [ 0, 0, 2.795228 ] ]

-16.236852

[ 0.41, 0.267, 0.01, 0.017 ]

[ [ 0, 0, 0.00203186 ], [ 0, 0, -0.00330082 ], [ 0, 0, -0.00084504 ], [ 0, 0, 0.002114 ] ]

1.284991

4.981131

pbe

true

2d1024adbe87746675c589072f09994b_99_Ca1Sc2Zn1

[ "Ca", "Sm", "Tb" ]

5

A2B2C

Ca2Sm2Tb

Ca2 Tb1 Sm2

3

[ 1, 1, 1 ]

3

[ [ 4.61886425, 0, 0 ], [ 0, 4.61886425, 0 ], [ -2.30943213, -2.30943213, 8.71861182 ] ]

agm003406448

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Ca", "Ca", "Tb", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 0.7926555, 0, 0 ], [ 0, 0.7926555, 0 ], [ 0, 0, 0.85513866 ] ]

-16.087357

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00113514 ], [ 0, 0, -0.00113514 ] ]

-0.000016

7.869085

pbe

true

dfecf84d814226ac3c6ac30528f1c80d_139_Ca2Tb1Sm2

[ "Cd", "Ce", "Pu" ]

3

ABC

CdCePu

Ce1 Pu1 Cd1

3

[ 1, 1, 1 ]

3

[ [ 3.17068944, -0.00182454, -0.01592208 ], [ 0.00177199, 3.12873203, -0.00255879 ], [ -1.56883074, 0.00258236, 7.44347269 ] ]

agm003598690

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Ce", "Pu", "Cd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.027212, 0.00121246, -0.05751569 ], [ 0.0012127, 4.9127913, -0.0431434 ], [ -0.05751569, -0.04314299, 5.047904 ] ]

-20.997726

[ -0.205, -5.32, 0.004 ]

[ [ -0.00373529, -0.00186574, 0.00504437 ], [ 0.00404596, 0.001989, 0.00087509 ], [ -0.00031067, -0.00012326, -0.00591946 ] ]

-5.663842

7.307941

pbe

true

3bb395d41afe30f40d268bd0c717aaf2_6_Ce1Pu1Cd1

[ "Cd", "Cu", "O" ]

16

A4B3C

Cd3CuO4

Cd6 Cu2 O8

3

[ 1, 1, 1 ]

3

[ [ 5.66713488, 0, 0 ], [ 0, 6.15499675, 0 ], [ 0, 0, 7.17816351 ] ]

agm003555556

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.375, 0.125, 0.5 ]

[ [ 0.29397127, 0, 0 ], [ 0, 0.43670997, 0 ], [ 0, 0, 0.35910276 ] ]

-66.239246

[ 0.002, 0.004, 0.004, 0.002, 0.004, 0.004, 0.588, 0.588, 0.092, 0.099, 0.099, 0.099, 0.099, 0.092, 0.099, 0.099 ]

[ [ -0.00021501, -0.00149832, 0 ], [ -0.00035703, 0.00066502, -0.00073585 ], [ -0.00035703, -0.00066502, 0.00073585 ], [ -0.00021501, 0.00149832, 0 ], [ -0.00035703, -0.00066502, -0.00073585 ], [ -0.00035703, 0.00066502, 0.00073585 ], [ -0.00225424, 0.009054, 0 ], [ -0.00225424, -0.009054, 0 ], [ 0.00018066, -0.00211374, 0 ], [ 0.00033014, 0.00287224, 0 ], [ 0.00133625, -0.00340242, -0.00039547 ], [ 0.00133625, 0.00340242, 0.00039547 ], [ 0.00033014, -0.00287224, 0 ], [ 0.00018066, 0.00211374, 0 ], [ 0.00133625, 0.00340242, -0.00039547 ], [ 0.00133625, -0.00340242, 0.00039547 ] ]

2.076852

11.941813

pbe

true

7fe6afa20fab88fa04e228f27830a4fa_31_Cd6Cu2O8

[ "Cd", "Cu", "Y" ]

6

A4BC

CdCuY4

Y4 Cd1 Cu1

3

[ 1, 1, 1 ]

3

[ [ 0, 4.42342158, 4.42342158 ], [ 4.42342158, 0, 4.42342158 ], [ 4.42342158, 4.42342158, 0 ] ]

agm005468046

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Y", "Y", "Y", "Cd", "Cu" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ -0.32382557, 0, 0 ], [ 0, -0.32382557, 0 ], [ 0, 0, -0.32382557 ] ]

-27.699927

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0.00161825, -0.00161825, -0.00161825 ], [ -0.00161825, -0.00161825, 0.00161825 ], [ -0.00161825, 0.00161825, -0.00161825 ], [ 0.00161825, 0.00161825, 0.00161825 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000125

6.292705

pbe

true

492395f3f933f1e3e65179e64e2462d0_216_Y4Cd1Cu1

[ "Cd", "Er", "Ho" ]

8

A4B3C

Cd3Er4Ho

Ho1 Er4 Cd3

3

[ 1, 1, 1 ]

3

[ [ 5.07904033, -1e-8, 1.49927302 ], [ 2.31823663, 4.51911816, 1.49927302 ], [ -0.019149, -0.01169875, 9.41756519 ] ]

agm005936542

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]

[ "Cd", "Cd", "Cd", "Ho", "Er", "Er", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.375, 0.5, 0.125 ]

[ [ 2.1993132, 0.00769245, -0.04265569 ], [ 0.00769245, 2.1914208, -0.02605914 ], [ -0.04265569, -0.02605914, 2.3312263 ] ]

-26.895224

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.0011905, 0.0007273, -0.00403303 ], [ -0.0011905, -0.0007273, 0.00403303 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00044447, -0.00027153, 0.00150572 ], [ 0.00021665, 0.00013236, -0.00073395 ], [ 0.00044447, 0.00027153, -0.00150572 ], [ -0.00021665, -0.00013236, 0.00073395 ] ]

0.000386

8.541321

pbe

true

3642ae28296b304ca4c25abafd02772c_166_Ho1Er4Cd3

[ "Cd", "In", "Pa" ]

3

ABC

CdInPa

Pa1 Cd1 In1

3

[ 1, 1, 1 ]

3

[ [ 3.0130084, 0, 0 ], [ 0, 4.36968986, 0 ], [ -1.5065042, -2.18484493, 5.68848637 ] ]

agm001020876

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]

[ "Pa", "Cd", "In" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.2443776, 0, 0 ], [ 0, 4.340972, 0 ], [ 0, 0, 4.4974937 ] ]

-12.754888

[ 0.924, -0.002, -0.001 ]

[ [ 0, 0, -0.00662438 ], [ 0, 0, 0.00669169 ], [ 0, 0, -0.00006731 ] ]

1.041861

5.219073

pbe

true

0bcdae4b5e0be29a3423f63ae5736fe0_44_Pa1Cd1In1

[ "Cd", "Fe", "La" ]

5

A2B2C

CdFe2La2

La2 Cd1 Fe2

3

[ 1, 1, 1 ]

3

[ [ 3.34450813, 0, 0 ], [ 0, 3.34450813, 0 ], [ 1.67225407, 1.67225407, 10.00759413 ] ]

agm002920821

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}]

[ "Cd", "Fe", "Fe", "La", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 4.808396, 0, 0 ], [ 0, 4.808396, 0 ], [ 0, 0, 1.7899088 ] ]

-26.444634

[ 0, 0, 0, 0.001, 0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02665218 ], [ 0, 0, -0.02665218 ] ]

0.002463

8.725143

pbe

true

3b225619ded58c52585b38385f39a0fc_139_La2Cd1Fe2

[ "Cd", "Fe", "P" ]

4

A2BC

CdFe2P

Cd1 Fe2 P1

3

[ 1, 1, 1 ]

3

[ [ 4.27089273, -0.01235197, -0.04750452 ], [ 3.21272894, 2.81408067, -0.04750452 ], [ 0.56793553, 0.2126245, 5.14137655 ] ]

agm004154745

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Cd", "Fe", "Fe", "P" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 7.4716454, 0.09414989, 0.48573807 ], [ 0.09414989, 7.255412, 0.1818513 ], [ 0.48573786, 0.18185122, 7.45099 ] ]

-22.685375

[ -0.018, 2.044, 2.278, -0.024 ]

[ [ 0.00044729, 0.00016746, 0.00598711 ], [ -0.00277933, -0.00104053, 0.00521627 ], [ 0.00280109, 0.00104868, -0.00954011 ], [ -0.00046905, -0.0001756, -0.00166327 ] ]

4.308026

2.787231

pbe

true

e1c38b8a45dac5ea34721913c3bccf32_8_Cd1Fe2P1

[ "Cd", "Ga", "Li" ]

6

A3B2C

Cd3GaLi2

Li2 Cd3 Ga1

3

[ 1, 1, 1 ]

3

[ [ 3.06762992, 0, 0 ], [ 0, 4.73195858, 0 ], [ 0, 0, 8.33883496 ] ]

agm003412165

[ [ 0, 2.36597929, 0.060422864566761596 ], [ 0, 0, 4.120882208387165 ], [ 1.53381496, 0, 6.9775840282557935 ], [ 1.53381496, 0, 1.455203417801632 ], [ 1.53381496, 2.36597929, 5.4661290812994405 ], [ 1.53381496, 2.36597929, 2.766857377465897 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Li", "Li", "Cd", "Cd", "Cd", "Ga" ]

2023-11-16 06:57:59

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ [ 5.0005426, 0, 0 ], [ 0, 5.350403, 0 ], [ 0, 0, 5.3115425 ] ]

-10.667396

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00637622 ], [ 0, 0, -0.00360915 ], [ 0, 0, -0.00328254 ], [ 0, 0, 0.00091288 ], [ 0, 0, 0.00183156 ], [ 0, 0, -0.00222896 ] ]

0

1.641932

pbe

true

e7fba039b5d348659adb7c8f5f96fc0c_25_Li2Cd3Ga1

[ "Cd", "Ga", "Na" ]

18

A4B4C

Cd4Ga4Na

Na2 Cd8 Ga8

3

[ 1, 1, 1 ]

3

[ [ 6.25964262, 0, 0 ], [ 0, 6.25964262, 0 ], [ 0, 0, 10.3727459 ] ]

agm003595585

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Na", "Na", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.4444444444444444, 0.4444444444444444, 0.1111111111111111 ]

[ [ 5.713081, 0, 0 ], [ 0, 5.713081, 0 ], [ 0, 0, 5.64906 ] ]

-34.022075

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00040677, 0, -0.00055381 ], [ 0.00040677, 0, -0.00055381 ], [ 0, 0.00040677, 0.00055381 ], [ 0, -0.00040677, 0.00055381 ], [ 0, -0.00040677, -0.00055381 ], [ 0, 0.00040677, -0.00055381 ], [ 0.00040677, 0, 0.00055381 ], [ -0.00040677, 0, 0.00055381 ], [ 0, -0.00526314, -0.0081069 ], [ 0, 0.00526314, -0.0081069 ], [ -0.00526314, 0, 0.0081069 ], [ 0.00526314, 0, 0.0081069 ], [ -0.00526314, 0, -0.0081069 ], [ 0.00526314, 0, -0.0081069 ], [ 0, -0.00526314, 0.0081069 ], [ 0, 0.00526314, 0.0081069 ] ]

-0.000001

7.43466

pbe

true

f8788f8138b64c21d358adca0a95f996_137_Na2Cd8Ga8

[ "Cd", "Ge", "Pd" ]

8

A4B3C

Cd3GePd4

Cd3 Ge1 Pd4

3

[ 1, 1, 1 ]

3

[ [ 6.06312383, -0.23637174, -0.65111751 ], [ -3.19161093, 5.16051954, 0.65111751 ], [ -3.14561892, -1.46496895, 5.01998445 ] ]

agm003558956

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Cd", "Cd", "Cd", "Ge", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.375, 0.125, 0.5 ]

[ [ 9.676658, 0.00618119, -0.01346901 ], [ 0.00618119, 9.683653, 0.00785444 ], [ -0.01346901, 0.00785444, 9.664937 ] ]

-30.097999

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00078942, -0.00046035, -0.00067929 ], [ -0.0001391, 0.00008111, -0.00020829 ], [ -0.00076672, 0.00044711, 0.00071328 ], [ 0.00266135, -0.00155196, 0.00398528 ], [ -0.00221927, 0.00129417, -0.00102326 ], [ -0.00029646, 0.00017288, -0.00274396 ], [ -0.00104505, -0.00175851, -0.00002188 ], [ 0.00101583, 0.00177555, -0.00002188 ] ]

-0

3.57673

pbe

true

ac4efaf326e80ce631f61508e6d40f7a_44_Cd3Ge1Pd4

[ "Cd", "Ge", "S" ]

10

A3BC

CdGeS3

Cd2 Ge2 S6

3

[ 1, 1, 1 ]

3

[ [ 3.67770268, 0, 9.9e-7 ], [ -1.83885086, 6.45803459, -0.48745737 ], [ 0.00000193, 0.29524229, 10.62021149 ] ]

agm005782288

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}]

[ "Cd", "Cd", "Ge", "Ge", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 2.2727497, 1.9e-7, 9.7e-7 ], [ 1.9e-7, 2.2896774, -0.02326288 ], [ 9.7e-7, -0.023263, 2.038559 ] ]

-39.619407

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00454275, -0.00117662 ], [ 0, 0.00454275, 0.00117662 ], [ 0, -0.00154618, -0.00469539 ], [ 0, 0.00154618, 0.00469539 ], [ 0, -0.00158675, 0.00109909 ], [ 0, 0.00158675, -0.00109909 ], [ 0, 0.00059356, -0.00032253 ], [ 0, -0.00059356, 0.00032253 ], [ 0, -0.00130648, 0.00126525 ], [ 0, 0.00130648, -0.00126525 ] ]

0

-0.019951

pbe

true

28cfcc5fbf23a4f8a6e2e838417e5476_12_Cd2Ge2S6

[ "Cd", "H", "Sn" ]

12

ABC

CdHSn

Cd4 Sn4 H4

3

[ 1, 1, 1 ]

3

[ [ 3.90924027, 0, 0 ], [ 0, 8.76543531, 2.84119864 ], [ 0, 4.53379202, 11.08239049 ] ]

agm005586818

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Cd", "Cd", "Cd", "Cd", "Sn", "Sn", "Sn", "Sn", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.615065, 0, 0 ], [ 0, 5.5026164, 0.03207319 ], [ 0, 0.03207301, 5.395907 ] ]

-31.455361

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00235973, 0.00025614, 0.00215397 ], [ -0.00235973, -0.00025614, -0.00215397 ], [ 0.00235973, -0.00025614, -0.00215397 ], [ 0.00235973, 0.00025614, 0.00215397 ], [ 0.00262363, 0.00364512, 0.00107247 ], [ 0.00262363, -0.00364512, -0.00107247 ], [ -0.00262363, -0.00364512, -0.00107247 ], [ -0.00262363, 0.00364512, 0.00107247 ], [ 0.00984132, -0.00460395, 0.03693182 ], [ 0.00984132, 0.00460395, -0.03693182 ], [ -0.00984132, 0.00460395, -0.03693182 ], [ -0.00984132, -0.00460395, 0.03693182 ] ]

0

1.668417

pbe

true

c89bde42f769a3c6fe6b63f6e8bf05ae_14_Cd4Sn4H4

[ "Cd", "In", "Na" ]

12

A3B2C

Cd2InNa3

Na6 Cd4 In2

3

[ 1, 1, 1 ]

3

[ [ 7.97299196, -0.58628121, -0.98563862 ], [ -1.53861512, 7.8450615, -0.98563862 ], [ -1.56670379, -1.76743745, 5.70871231 ] ]

agm003415370

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[ "Na", "Na", "Na", "Na", "Na", "Na", "Cd", "Cd", "Cd", "Cd", "In", "In" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

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0

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pbe

true

590d9699151e284a8bffda73f5f480c6_15_Na6Cd4In2

[ "Cd", "In", "Sr" ]

12

A3B2C

Cd2In3Sr

Sr2 Cd4 In6

3

[ 1, 1, 1 ]

3

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agm005597638

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[ "Sr", "Sr", "Cd", "Cd", "Cd", "Cd", "In", "In", "In", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.5, 0.16666666666666666 ]

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5.058054

pbe

true

38c1f47e4d544496feed42dd723a1e35_12_Sr2Cd4In6

[ "Cd", "K", "Mg" ]

19

A12B5C2

Cd12K2Mg5

K2 Mg5 Cd12

3

[ 1, 1, 1 ]

3

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agm005677271

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[ "K", "K", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.631578947368421, 0.10526315789473684, 0.2631578947368421 ]

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0

6.226982

pbe

true

d27470752bbebd1fb31e823109357290_166_K2Mg5Cd12

[ "Cd", "K", "Pd" ]

10

A2B2C

Cd2K2Pd

K4 Cd4 Pd2

3

[ 1, 1, 1 ]

3

[ [ 7.31159181, 0, 0 ], [ 0, 7.31159181, 0 ], [ 0, 0, 5.76189065 ] ]

agm002985205

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "K", "K", "K", "K", "Pd", "Pd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 3.8626482, 0, 0 ], [ 0, 3.8626482, 0 ], [ 0, 0, 4.5042644 ] ]

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0

4.937379

pbe

true

772140f785559e7d1266c69c0da55829_127_K4Cd4Pd2

[ "Cd", "K", "Rb" ]

30

A23B6C

CdK23Rb6

K23 Rb6 Cd1

3

[ 1, 1, 1 ]

3

[ [ 12.79897564, 7.6e-7, 7.38949148 ], [ 4.26632604, 12.06699082, 7.38949232 ], [ -8.4e-7, -5e-8, 14.77898373 ] ]

agm006091124

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Cd" ]

2023-11-16 06:57:59

[ 0.03333333333333333, 0.7666666666666667, 0.2 ]

[ [ 0.48512834, 7e-8, -4e-8 ], [ 7e-8, 0.48512837, 2e-8 ], [ -4e-8, 2e-8, 0.48512828 ] ]

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0.000001

26.346249

pbe

true

052b01f0237b82438c7f8e380136b984_225_K23Rb6Cd1

[ "Cd", "La", "Zn" ]

13

A11BC

Cd11LaZn

La1 Zn1 Cd11

3

[ 1, 1, 1 ]

3

[ [ 5.49462455, -0.00526715, 2.28914573 ], [ 2.6818641, 7.02255659, 1.11730618 ], [ 0.04508904, -0.00263357, 7.63070573 ] ]

agm005695896

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "La", "Zn", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.8461538461538461, 0.07692307692307693, 0.07692307692307693 ]

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0

1.810791

pbe

true

692ce0009d1957db6c9c1d3252a806c3_12_La1Zn1Cd11

[ "Cd", "Li", "P" ]

5

A2B2C

Cd2LiP2

Li1 Cd2 P2

3

[ 1, 1, 1 ]

3

[ [ 4.16962498, 0, 0 ], [ 0, 4.16962498, 0 ], [ 2.08481249, 2.08481249, 6.16752631 ] ]

agm002930721

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "Li", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 2.8963723, 0, 0 ], [ 0, 2.8963723, 0 ], [ 0, 0, 3.7806103 ] ]

-13.852914

[ 0, 0, 0, 0, 0 ]

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0

1.152902

pbe

true

fd5f5936d3e7aa549a59d9be9811c50d_139_Li1Cd2P2

[ "Cd", "Li", "Tm" ]

12

A7B4C

Cd7LiTm4

Li1 Tm4 Cd7

3

[ 1, 1, 1 ]

3

[ [ 5.28390895, 0, 0 ], [ 2.64195447, 9.79748992, -0.23047555 ], [ 2.64195447, 0.33612724, 5.9040872 ] ]

agm003665784

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Li", "Tm", "Tm", "Tm", "Tm", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.5833333333333334, 0.08333333333333333, 0.3333333333333333 ]

[ [ 3.7290714, 0, 0 ], [ 0, 3.7646966, -0.03375145 ], [ 0, -0.03375183, 3.6173546 ] ]

-27.637413

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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-0.000022

6.758102

pbe

true

8aef3f861ef5c6ad2d9529510edbc705_12_Li1Tm4Cd7

[ "Cd", "Li", "W" ]

5

A2B2C

Cd2Li2W

Li2 Cd2 W1

3

[ 1, 1, 1 ]

3

[ [ 4.77553894, 0, 0 ], [ 0, 4.77553894, 0 ], [ 2.38776947, 2.38776947, 3.82835183 ] ]

agm002929569

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]

[ "Li", "Li", "W", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 4.3427024, 0, 0 ], [ 0, 4.3427024, 0 ], [ 0, 0, 1.6444019 ] ]

-15.048033

[ -0.015, -0.015, 1.631, -0.01, -0.01 ]

[ [ 0, 0, 0.0200753 ], [ 0, 0, -0.0200753 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.985257

1.78624

pbe

true

7abe5f108ef1d59d1fbbdc83dd74c598_139_Li2Cd2W1

[ "Cd", "Lu", "Ni" ]

4

A2BC

CdLu2Ni

Lu2 Cd1 Ni1

3

[ 1, 1, 1 ]

3

[ [ 3.55478246, 0, 0 ], [ 0, 4.90542641, 0 ], [ 0, 0, 4.90542641 ] ]

agm001217996

[ [ 1.77739123, 0, 0 ], [ 0, 0, 2.452713205 ], [ 0, 2.452713205, 0 ], [ 1.77739123, 2.452713205, 2.452713205 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Ni", "Lu", "Lu", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -1.1537265, 0, 0 ], [ 0, -0.86858755, 0 ], [ 0, 0, -0.86858755 ] ]

-16.900563

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000345

2.530937

pbe

true

adec983b2c264db4d5a0c453048a3010_123_Lu2Cd1Ni1

[ "Cd", "Mg", "Rb" ]

20

A6B3C

Cd3Mg6Rb

Rb2 Mg12 Cd6

3

[ 1, 1, 1 ]

3

[ [ 7.67264012, 0, 0 ], [ 0, 7.27112971, -2.96968757 ], [ 0, 0.45365892, 9.19692479 ] ]

agm005999576

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.3, 0.6, 0.1 ]

[ [ 2.0441866, 0, 0 ], [ 0, 2.361692, -0.03158951 ], [ 0, -0.03159006, 2.4689407 ] ]

-25.889689

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00367619, 0.00740806, -0.00517956 ], [ -0.00489155, -0.00758912, 0.00537151 ], [ 0.00461809, -0.00606974, -0.00806772 ], [ -0.00461809, 0.00606974, 0.00806772 ], [ 0.00489155, 0.00758912, -0.00537151 ], [ 0.00367619, -0.00740806, 0.00517956 ], [ 0.00367619, 0.00740806, -0.00517956 ], [ 0.00489155, -0.00758912, 0.00537151 ], [ -0.00461809, -0.00606974, -0.00806772 ], [ 0.00461809, 0.00606974, 0.00806772 ], [ -0.00489155, 0.00758912, -0.00537151 ], [ -0.00367619, -0.00740806, 0.00517956 ], [ 0.00330606, 0.0007841, -0.00373319 ], [ 0, 0, 0 ], [ -0.00330606, -0.0007841, 0.00373319 ], [ -0.00330606, 0.0007841, -0.00373319 ], [ 0, 0, 0 ], [ 0.00330606, -0.0007841, 0.00373319 ] ]

0

11.144699

pbe

true

8b45bac571ab69f32c4aa646b195713d_14_Rb2Mg12Cd6

[ "Cd", "Mg", "Sr" ]

16

A14BC

CdMg14Sr

Sr1 Mg14 Cd1

3

[ 1, 1, 1 ]

3

[ [ 3.24121646, -5.77404711, 0 ], [ 3.24121646, 5.77404711, 0 ], [ 0, 0, 10.47099142 ] ]

agm005236966

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Sr", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd" ]

2023-11-16 06:57:59

[ 0.0625, 0.875, 0.0625 ]

[ [ 1.0575936, 0, 0 ], [ 0, 0.9146832, 0 ], [ 0, 0, 1.3892987 ] ]

-24.710703

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00037109, 0 ], [ 0, -0.01003444, 0 ], [ 0, -0.01852653, 0 ], [ -0.00216496, -0.01843465, 0 ], [ 0.0105507, 0.009557, 0 ], [ 0.00216496, -0.01843465, 0 ], [ -0.0105507, 0.009557, 0 ], [ -0.00136322, 0.01063386, 0.00426669 ], [ -0.00136322, 0.01063386, -0.00426669 ], [ 0.00136322, 0.01063386, 0.00426669 ], [ 0.00136322, 0.01063386, -0.00426669 ], [ 0, 0.00130372, -0.01863912 ], [ 0, 0.00130372, 0.01863912 ], [ 0, 0.00100606, 0.0007201 ], [ 0, 0.00100606, -0.0007201 ], [ 0, -0.00046762, 0 ] ]

-0

7.530911

pbe

true

d82707a615df8821f68ca5290a038122_38_Sr1Mg14Cd1

[ "Cd", "Mn", "Mo" ]

4

A2BC

CdMn2Mo

Mn2 Cd1 Mo1

3

[ 1, 1, 1 ]

3

[ [ 8.90057927, 0.0526983, 0.03102829 ], [ 8.40442137, 2.93066373, 0.03102829 ], [ 8.40442137, 1.44891249, 2.54762738 ] ]

agm004292064

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]

[ "Cd", "Mn", "Mn", "Mo" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.9877634, 0.09429518, 0.05552016 ], [ 0.09429518, 5.4570603, 0.00957161 ], [ 0.05552016, 0.00957161, 5.4464397 ] ]

-28.622153

[ -0.035, 2.956, 2.956, -0.73 ]

[ [ 0, 0, 0 ], [ 0.00659062, 0.00113622, 0.00066899 ], [ -0.00659062, -0.00113622, -0.00066899 ], [ 0, 0, 0 ] ]

5.256988

3.304213

pbe

true

43c76e3f3a609d42962bc0eaeed15e90_166_Mn2Cd1Mo1

[ "Cd", "Mg", "Zn" ]

16

A10B3C3

Cd3Mg10Zn3

Mg10 Zn3 Cd3

3

[ 1, 1, 1 ]

3

[ [ 5.73166213, 0, 0 ], [ 0, 7.15613088, -4.13159393 ], [ 0, 0, 8.26318886 ] ]

agm005668716

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"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", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Zn", "Zn", "Zn", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.1875, 0.625, 0.1875 ]

[ [ 2.7936242, 0, 0 ], [ 0, 2.5474925, 1.8e-7 ], [ 0, 1.8e-7, 2.547493 ] ]

-23.454253

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.01729103, 0, 0 ], [ 0.01729103, 0, 0 ], [ -0.01729103, 0, 0 ], [ -0.01729103, 0, 0 ], [ 0, 0, 0.01010031 ], [ 0, 0.00874713, -0.00505016 ], [ 0, -0.00874713, -0.00505016 ], [ 0, 0, 0.01097708 ], [ 0, 0.00950643, -0.00548854 ], [ 0, -0.00950643, -0.00548854 ], [ 0, 0, 0.00400292 ], [ 0, 0.00346663, -0.00200146 ], [ 0, -0.00346663, -0.00200146 ], [ 0, 0, 0.00233375 ], [ 0, 0.00202108, -0.00116687 ], [ 0, -0.00202108, -0.00116687 ] ]

0.000001

4.645288

pbe

true

66545088608f4d4222f18a84ed555c39_189_Mg10Zn3Cd3

[ "Cd", "Na", "Tl" ]

12

A5B5C2

Cd2Na5Tl5

Na5 Tl5 Cd2

3

[ 1, 1, 1 ]

3

[ [ 5.19471739, -0.00000168, 1.05730848 ], [ 2.6083537, 4.60809749, 0.47462889 ], [ -0.20158602, -1.43564255, 14.280386 ] ]

agm005644810

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]

[ "Na", "Na", "Na", "Na", "Na", "Tl", "Tl", "Tl", "Tl", "Tl", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.4166666666666667, 0.4166666666666667 ]

[ [ 3.8643203, 0.00290716, 0.00179728 ], [ 0.00290712, 3.8579888, -0.01429343 ], [ 0.00179728, -0.01429365, 3.8558807 ] ]

-21.388372

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.00118701, 0.00086415, 0.00583202 ], [ -0.0006175, 0.00043929, 0.00303388 ], [ 0.0006175, -0.00043929, -0.00303388 ], [ 0.00118701, -0.00086415, -0.00583202 ], [ 0.00079495, 0.00107056, -0.00390574 ], [ 0.00036286, 0.00222801, -0.00178281 ], [ -0.00036286, -0.00222801, 0.00178281 ], [ -0.00079495, -0.00107056, 0.00390574 ], [ 0, 0, 0 ], [ 0.00038717, 0.00029662, -0.00190223 ], [ -0.00038717, -0.00029662, 0.00190223 ] ]

0

6.135714

pbe

true

2de465c7b5b37e10ba3e93454f017558_12_Na5Tl5Cd2

[ "Cd", "Nb", "Tm" ]

4

A2BC

CdNbTm2

Tm2 Nb1 Cd1

3

[ 1, 1, 1 ]

3

[ [ 3.16511537, 0, 0 ], [ 1.58255768, 2.74107032, 0 ], [ 1.58255768, 0.9136901, 11.4102718 ] ]

agm001999470

[ [ 0, 0, 0 ], [ 1.582559263415649, 0.9136910154060377, 8.473385706787694 ], [ 4.747671466584351, 2.741069404593962, 2.936886093212306 ], [ 3.165115365, 1.8273802099999998, 5.7051359 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Nb", "Tm", "Tm", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.8596596, 0, 0 ], [ 0, 1.8596596, 0 ], [ 0, 0, 2.0778136 ] ]

-18.15095

[ 0.512, 0.082, 0.082, -0.002 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00197548 ], [ 0, 0, -0.00197548 ], [ 0, 0, 0 ] ]

0.724191

5.029595

pbe

true

a82133eb02358a4a3c9fcfc569f9903c_166_Tm2Nb1Cd1

[ "Cd", "Nd", "Pm" ]

20

A12B7C

CdNd12Pm7

Pm7 Nd12 Cd1

3

[ 1, 1, 1 ]

3

[ [ 8.60393839, 1.19047435, 1.78685064 ], [ -1.24889359, 8.59565296, 1.7868506 ], [ -1.24889365, -1.66169374, 8.62072263 ] ]

agm003702502

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Cd" ]

2023-11-16 06:57:59

[ 0.05, 0.6, 0.35 ]

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-88.226219

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-0.000298

32.94837

pbe

true

cd5429118faf06d9b30235363490521d_148_Pm7Nd12Cd1

[ "Cd", "O", "Rb" ]

14

A3B2C2

Cd2O3Rb2

Cd2 O3 Rb2

3

[ 1, 1, 1 ]

3

[ [ 6.500045932, 0, 0 ], [ 0, 6.802360174, 0 ], [ -3.097666776, 0, 6.150561117 ] ]

oqmd-5530904

[ [ 1.9477300000000024, 0.8407299999999993, 0.46113 ], [ 3.003479999999996, 4.241909999999997, 2.614150000000002 ], [ 0.3989000000000029, 2.5604499999999977, 3.5364100000000005 ], [ 1.454649999999999, 5.961630000000001, 5.689429999999997 ], [ 0, 0, 0 ], [ 3.2765499999999976, 6.040250000000001, 1.3897100000000018 ], [ 1.6746600000000007, 2.639069999999997, 1.6855699999999996 ], [ -1.5488331067172263, 3.4011799999999974, 3.075280000000001 ], [ 1.727719999999998, 4.163289999999997, 4.464990000000003 ], [ 0.12583000000000075, 0.7621100000000001, 4.760850000000001 ], [ 5.11667, 2.3968100000000025, 0.4892399999999999 ], [ -0.16545999999999864, 5.7979899999999995, 2.586050000000003 ], [ 3.567840000000002, 1.004370000000001, 3.5645199999999972 ], [ -1.714290000000002, 4.405549999999998, 5.661329999999998 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Cd", "Cd", "Cd", "Cd", "O", "O", "O", "O", "O", "O", "Rb", "Rb", "Rb", "Rb" ]

2024-11-01 00:00:00

[ 0.2857142857142857, 0.42857142857142855, 0.2857142857142857 ]

[ [ 26.7638681, 0, 0.0181433 ], [ 0, 27.60913479, 0 ], [ 0.0181433, 0, 30.39328104 ] ]

-52.3695

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null

pbe

true

2054bad13dcef905083b160a91aa468c_14_Rb4Cd4O6

[ "Cd", "O", "Pr" ]

7

A4B2C

Cd2OPr4

Pr4 Cd2 O1

3

[ 1, 1, 1 ]

3

[ [ 3.5391781, 0, 0 ], [ 0, 4.76578623, -1.80261825 ], [ 0, 1.97804625, 12.43081499 ] ]

agm006033673

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]

[ "Pr", "Pr", "Pr", "Pr", "Cd", "Cd", "O" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]

[ [ -0.01937297, 0, 0 ], [ 0, 0.0194299, 0.08873702 ], [ 0, 0.08873702, 0.2204699 ] ]

-30.420364

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00064019, -0.00169255 ], [ 0, -0.0001058, -0.00027972 ], [ 0, 0.00064019, 0.00169255 ], [ 0, 0.0001058, 0.00027972 ], [ 0, -0.00059663, -0.00157738 ], [ 0, 0.00059663, 0.00157738 ], [ 0, 0, 0 ] ]

-0.002735

6.900752

pbe

true

946845e189525f107ab2208b341fe64d_65_Pr4Cd2O1

[ "Cd", "O", "Zn" ]

8

A4B3C

Cd3O4Zn

Zn1 Cd3 O4

3

[ 1, 1, 1 ]

3

[ [ 3.34234722, 0, 0 ], [ 0, 5.71490305, 0.03036395 ], [ 0, -1.87816945, 5.39754744 ] ]

agm002174061

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Zn", "O", "O", "O", "O", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.375, 0.5, 0.125 ]

[ [ 0.7393714, 0, 0 ], [ 0, 1.0698336, -0.22253814 ], [ 0, -0.22253814, 0.9123057 ] ]

-32.242298

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, -0.00144922, 0.00102439 ], [ 0, -0.00075212, -0.00106404 ], [ 0, 0.00075212, 0.00106404 ], [ 0, 0.00144922, -0.00102439 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

0.000627

pbe

true

5c5bdfe058453a50c3521e82790f4719_65_Zn1Cd3O4

[ "Cd", "Pd", "Re" ]

3

ABC

CdPdRe

Cd1 Pd1 Re1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.058011, 3.058011 ], [ 3.058011, 0, 3.058011 ], [ 3.058011, 3.058011, 0 ] ]

oqmd-3471496

[ [ 1.5289999999999984, 1.5289999999999984, 1.5289999999999984 ], [ 0, 0, 0 ], [ 4.5870099999999985, 4.5870099999999985, 4.5870099999999985 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Cd", "Pd", "Re" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 15.57452, 0, 0 ], [ 0, 15.57452, 0 ], [ 0, 0, 15.57452 ] ]

-15.7732

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.02008

null

pbe

true

0d5bcf6d6b7b4c28fc7a0098e6151234_216_Cd1Re1Pd1

[ "Cd", "Pd", "Y" ]

12

A6B5C

CdPd5Y6

Y6 Cd1 Pd5

3

[ 1, 1, 1 ]

3

[ [ 4.91404792, 0.00201046, -1.03364099 ], [ -0.00310775, 7.13545267, -0.00072306 ], [ -0.92651841, 0.00039367, 7.88214748 ] ]

agm006136390

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Y", "Y", "Y", "Y", "Y", "Pd", "Pd", "Pd", "Pd", "Pd", "Cd" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.4166666666666667, 0.5 ]

[ [ 3.963202, -0.00006248, 0.10548145 ], [ -0.00006248, 4.0830746, 0.00002229 ], [ 0.10548237, 0.00002229, 3.8862486 ] ]

-74.891578

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00149459, -0.00303029, 0.00287133 ], [ -0.00149723, 0.00302958, 0.00287071 ], [ 1.1e-7, -0.00025441, 3e-8 ], [ -1.1e-7, 0.00025441, -3e-8 ], [ 0.00149723, -0.00302958, -0.00287071 ], [ 0.00149459, 0.00303029, -0.00287133 ], [ 0.0005452, 5.1e-7, 0.0027846 ], [ -0.00128583, -5e-7, 0.00049923 ], [ 0, 0, 0 ], [ 0.00128583, 5e-7, -0.00049923 ], [ -0.0005452, -5.1e-7, -0.0027846 ], [ 0, 0, 0 ] ]

-0.000008

8.749533

pbe

true

25dd371f48b4f52178a2fb9f2c90a46d_10_Y6Cd1Pd5

[ "Cd", "Pm", "Zn" ]

7

A4B2C

CdPm2Zn4

Pm2 Zn4 Cd1

3

[ 1, 1, 1 ]

3

[ [ 4.58994082, 0.00000445, 1.4340018 ], [ 2.0709658, 4.09617648, 1.43400283 ], [ -0.1642723, -0.10101938, 8.58851367 ] ]

agm006006354

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Pm", "Pm", "Zn", "Zn", "Zn", "Zn", "Cd" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]

[ [ 3.2850792, -0.01146513, 0.05970343 ], [ -0.01146513, 3.296673, 0.03671641 ], [ 0.05970343, 0.03671641, 3.11263 ] ]

-16.383472

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00040775, -0.00025075, 0.00130513 ], [ 0.00040775, 0.00025075, -0.00130513 ], [ 0.00047186, 0.00029017, -0.00151032 ], [ -0.00047186, -0.00029017, 0.00151032 ], [ -0.00213379, -0.00131219, 0.0068298 ], [ 0.00213379, 0.00131219, -0.0068298 ], [ 0, 0, 0 ] ]

0

3.22836

pbe

true

d3c83c3712a0bbd10ddd070ca5ddd1c9_166_Pm2Zn4Cd1

[ "Cd", "Pt", "Sm" ]

9

A6B2C

Cd2Pt6Sm

Sm1 Cd2 Pt6

3

[ 1, 1, 1 ]

3

[ [ 5.58277405, -1e-8, 3.22321575 ], [ 1.86092501, 5.26349091, 3.22321672 ], [ 2e-8, -1e-8, 6.44643344 ] ]

agm005760828

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Sm", "Cd", "Cd", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.6666666666666666, 0.1111111111111111 ]

[ [ 6.1230016, 3.7e-7, -0.00000104 ], [ 3.7e-7, 6.123004, 3.7e-7 ], [ -0.00000104, 3.7e-7, 6.123004 ] ]

-41.306008

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00180889, 0.00127908, 0 ], [ -0.00090445, 0.00127908, 0.00156655 ], [ -0.00090445, 0.00127908, -0.00156655 ], [ -0.00180889, -0.00127908, 0 ], [ 0.00090445, -0.00127908, -0.00156655 ], [ 0.00090445, -0.00127908, 0.00156655 ] ]

0

9.097338

pbe

true

354001ead9bc95fb0f617b3a42da8dc9_225_Sm1Cd2Pt6

[ "Cd", "Rb", "W" ]

8

A2BC

Cd2RbW

Rb2 Cd4 W2

3

[ 1, 1, 1 ]

3

[ [ 5.70678173, 0, 0 ], [ 0, 5.70678173, 0 ], [ 2.85339087, 2.85339087, 9.73030727 ] ]

agm002879226

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "W", "W", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.4171574, 0, 0 ], [ 0, 2.4171574, 0 ], [ 0, 0, 2.937779 ] ]

-21.468376

[ 0.009, 0.009, 2.62, 2.62, 0.003, 0.005, 0.04, 0.042 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00499678, 0, 0 ], [ -0.00499678, 0, 0 ], [ 0, -0.00499678, 0 ], [ 0, 0.00499678, 0 ] ]

7.295518

5.02813

pbe

true

cf818c9963636dc14ba9646421781ecc_122_Rb2Cd4W2

[ "Cd", "Rh", "Tc" ]

8

A2BC

CdRhTc2

Cd2 Tc4 Rh2

3

[ 1, 1, 1 ]

3

[ [ 7.39505476, 0, 0 ], [ 0, 7.39505476, 0 ], [ 3.69752738, 3.69752738, 2.5868324 ] ]

agm002896003

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[ "Rh", "Rh", "Tc", "Tc", "Tc", "Tc", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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0

8.519347

pbe

true

98b3259c5a366e57ddd840c76a6e01d1_122_Cd2Tc4Rh2

[ "Cd", "Rh", "Tl" ]

10

A2B2C

Cd2Rh2Tl

Tl2 Cd4 Rh4

3

[ 1, 1, 1 ]

3

[ [ 7.81619278, 0, 0 ], [ 0, 7.81619278, 0 ], [ 0, 0, 3.12283487 ] ]

agm003010308

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[ "Tl", "Tl", "Rh", "Rh", "Rh", "Rh", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

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0

5.259219

pbe

true

e1a2d09ce4657327acb4bbd3e5848dc9_127_Tl2Cd4Rh4

[ "Cd", "Sc", "Tl" ]

3

ABC

CdScTl

Sc1 Tl1 Cd1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.43899997, 3.43899997 ], [ 3.43899997, 0, 3.43899997 ], [ 3.43899997, 3.43899997, 0 ] ]

agm003141478

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Tl", "Cd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.4783316, 0, 0 ], [ 0, 4.4783316, 0 ], [ 0, 0, 4.4783316 ] ]

-9.273158

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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.029337

pbe

true

fcbe0e1978edcf035ab39e386e346f17_216_Sc1Tl1Cd1

[ "Cd", "Sc", "Tb" ]

3

ABC

CdScTb

Tb1 Sc1 Cd1

3

[ 1, 1, 1 ]

3

[ [ 3.46242224, 0, 0 ], [ 0, 3.46242224, 0 ], [ -1.73121112, -1.73121112, 6.42758051 ] ]

agm001832138

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Tb", "Cd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.126117, 0, 0 ], [ 0, 3.126117, 0 ], [ 0, 0, 3.318324 ] ]

-12.400859

[ 0.255, 0.226, -0.001 ]

[ [ 0, 0, 0.00073689 ], [ 0, 0, -0.00150406 ], [ 0, 0, 0.00076718 ] ]

0.733693

3.96011

pbe

true

1979fe8a0f3485672564c7102661bcd3_107_Tb1Sc1Cd1

[ "Cd", "Se", "Tl" ]

22

A6B4C

CdSe4Tl6

Tl12 Cd2 Se8

3

[ 1, 1, 1 ]

3

[ [ 7.35111779, 0, 0 ], [ 0, 9.25249812, -5.34193167 ], [ 0, -0.00001183, 10.68384188 ] ]

agm006044601

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Cd", "Cd", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.36363636363636365, 0.5454545454545454 ]

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-66.696991

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0

-0.05939

pbe

true

8787a4dd0df80220d17c7cc065265c4b_186_Tl12Cd2Se8

[ "Cd", "Sm", "Y" ]

7

A4B2C

Cd4Sm2Y

Sm2 Y1 Cd4

3

[ 1, 1, 1 ]

3

[ [ 5.10561998, 0, -1.62752072 ], [ -0.51880636, 5.07919218, -1.62752169 ], [ -0.26495971, -0.2934025, 7.99087 ] ]

agm005977597

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Sm", "Sm", "Y", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.5714285714285714, 0.2857142857142857, 0.14285714285714285 ]

[ [ 3.1938705, 0.02506686, 0.07101479 ], [ 0.02506686, 3.198991, 0.07863725 ], [ 0.07101479, 0.07863725, 3.3940105 ] ]

-20.748482

[ 0.103, 0.103, -0.009, 0.004, 0.004, 0.004, 0.004 ]

[ [ 0.00083271, 0.0009221, 0.00261225 ], [ -0.00083271, -0.0009221, -0.00261225 ], [ 0, 0, 0 ], [ 0.00029838, 0.00033041, 0.00093604 ], [ 0.00029838, 0.00033041, 0.00093604 ], [ -0.00029838, -0.00033041, -0.00093604 ], [ -0.00029838, -0.00033041, -0.00093604 ] ]

0.417114

5.49844

pbe

true

8025740b992a0413ca546999f4ba5e10_139_Sm2Y1Cd4

[ "Cd", "Sn", "Ta" ]

4

A2BC

CdSn2Ta

Ta1 Cd1 Sn2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.5526137, 3.5526137 ], [ 3.5526137, 0, 3.5526137 ], [ 3.5526137, 3.5526137, 0 ] ]

agm002658815

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Cd", "Sn", "Sn", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.0655003, 0, 0 ], [ 0, 5.0655003, 0 ], [ 0, 0, 5.0655003 ] ]

-18.586033

[ 0, 0, 0, 0 ]

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-0.000231

5.162334

pbe

true

284c81485fde879db8081f566649d8e2_225_Ta1Cd1Sn2

[ "Ce", "Co", "Ga" ]

18

A5B2C2

Ce5Co2Ga2

Ce10 Ga4 Co4

3

[ 1, 1, 1 ]

3

[ [ 7.66329027, 0, 0 ], [ 0, 5.92678247, 0 ], [ -3.83164514, -2.96339123, 8.78271819 ] ]

agm003314304

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ga", "Ga", "Ga", "Ga", "Co", "Co", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.5555555555555556, 0.2222222222222222, 0.2222222222222222 ]

[ [ 5.1807804, 0, 0 ], [ 0, 5.11806, 0 ], [ 0, 0, 5.227465 ] ]

-104.737954

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[ [ -0.00511243, 0.00165066, -0.00016812 ], [ 0.00511243, 0.00165066, 0.00016812 ], [ 0.00511243, 0.00165066, -0.00016812 ], [ -0.00511243, 0.00165066, 0.00016812 ], [ 0.00077677, -0.00098727, -0.0003172 ], [ -0.00077677, -0.00098727, 0.0003172 ], [ -0.00077677, -0.00098727, -0.0003172 ], [ 0.00077677, -0.00098727, 0.0003172 ], [ -0.00167191, 0.0026411, 0 ], [ 0.00167191, 0.0026411, 0 ], [ -0.0029631, -0.00120603, 0.00389405 ], [ 0.0029631, -0.00120603, -0.00389405 ], [ 0.0029631, -0.00120603, 0.00389405 ], [ -0.0029631, -0.00120603, -0.00389405 ], [ 0, -0.00514106, 0 ], [ 0, -0.00514106, 0 ], [ -0.0034434, 0.00358524, 0 ], [ 0.0034434, 0.00358524, 0 ] ]

2.84824

37.054123

pbe

true

55de72837e547c0cdbdb1d51767db1f7_46_Ce10Ga4Co4

[ "Ce", "Co", "Ti" ]

4

A2BC

CeCo2Ti

Ce1 Ti1 Co2

3

[ 1, 1, 1 ]

3

[ [ 4.07567338, 0, 0 ], [ 2.03783669, 3.52963668, 0 ], [ 2.03783669, 1.17654556, 4.68412654 ] ]

agm001928187

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Co", "Co", "Ce", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.4514885, 0, 0 ], [ 0, 4.4514885, 0 ], [ 0, 0, 4.9273906 ] ]

-28.735826

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00068341 ], [ 0, 0, -0.00068341 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000024

4.780455

pbe

true

eb27b074066909583e68fd87c44e8193_166_Ce1Ti1Co2

[ "Ce", "Cu", "Dy" ]

4

A2BC

CeCuDy2

Ce1 Dy2 Cu1

3

[ 1, 1, 1 ]

3

[ [ 3.48754387, 0, 0 ], [ 0, 3.48754387, 0 ], [ 0, 0, 8.4583614 ] ]

agm001131092

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Cu", "Ce", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -1.4014841, 0, 0 ], [ 0, -1.4014841, 0 ], [ 0, 0, -0.7098178 ] ]

-19.479093

[ 0.001, 0.689, 0.066, 0.066 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00851808 ], [ 0, 0, 0.00851808 ] ]

1.021572

6.601091

pbe

true

d69bc9496fde42118fe423fb9d12f48b_123_Ce1Dy2Cu1

[ "Ce", "Cu", "Hg" ]

8

A2BC

Ce2CuHg

Ce4 Cu2 Hg2

3

[ 1, 1, 1 ]

3

[ [ 4.62611423, 0, 0 ], [ 0, 5.25429675, -2.93800907 ], [ 0, -3.14546888, 9.40562748 ] ]

agm005677831

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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ce", "Ce", "Ce", "Ce", "Cu", "Cu", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -0.7540962, 0, 0 ], [ 0, -0.8173988, -0.05029607 ], [ 0, -0.05029617, -0.78984624 ] ]

-33.640396

[ 0.829, 0.829, 0.409, 0.409, -0.003, -0.003, -0.006, -0.006 ]

[ [ 0, -0.0011373, -0.00005173 ], [ 0, 0.0011373, 0.00005173 ], [ 0, 0.00236068, -0.00125182 ], [ 0, -0.00236068, 0.00125182 ], [ 0, -0.01115391, -0.00209183 ], [ 0, 0.01115391, 0.00209183 ], [ 0, -0.00215178, -0.00196878 ], [ 0, 0.00215178, 0.00196878 ] ]

2.835779

16.984034

pbe

true

6b7cdbcb59426f3c6b6bc86a79c1c900_11_Ce4Cu2Hg2

[ "Ce", "Cu", "Ge" ]

9

A6B2C

Ce6CuGe2

Ce6 Cu1 Ge2

3

[ 1, 1, 1 ]

3

[ [ 4.07082986, 0, 0 ], [ 0, 7.09769886, -3.68286399 ], [ 0, -0.34377279, 7.98890723 ] ]

agm005746730

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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Cu", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.1111111111111111, 0.2222222222222222 ]

[ [ 0.85426337, 0, 0 ], [ 0, 0.64865184, -0.13920537 ], [ 0, -0.13920537, 0.7782402 ] ]

-52.271436

[ 0.588, 0.581, 0.581, 0.568, 0.535, 0.535, 0, -0.02, -0.02 ]

[ [ 0, -0.00421783, -0.00268913 ], [ 0, 0.00074017, -0.00359115 ], [ 0, -0.00294341, 0.00218645 ], [ 0, -0.00505519, -0.00322299 ], [ 0, -0.00203514, 0.00132423 ], [ 0, 0.00034175, -0.00240387 ], [ 0, 0.01837036, 0.01171223 ], [ 0, 0.0008485, -0.00706734 ], [ 0, -0.00604921, 0.00375156 ] ]

4.212518

25.32643

pbe

true

b331ffcfa7d0989352d3085cf103a7a1_38_Ce6Cu1Ge2

[ "Ce", "Dy", "Tb" ]

16

A14BC

CeDy14Tb

Tb1 Ce1 Dy14

3

[ 1, 1, 1 ]

3

[ [ 7.02295449, 0.94236569, 0 ], [ -0.94214723, 7.02298406, 0 ], [ 0, 0, 10.02031957 ] ]

agm005789494

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}]

[ "Tb", "Ce", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.0625, 0.875, 0.0625 ]

[ [ 0.27524546, -0.00505196, 0 ], [ -0.00505196, 0.27248454, 0 ], [ 0, 0, 0.27544004 ] ]

-74.553746

[ -0.004, 0.699, -0.044, -0.008, 0.026, -0.017, 0.026, -0.017, 0.008, 0.008, 0.008, 0.008, 0.008, 0.008, 0.008, 0.008 ]

[ [ 0.00038613, -0.00029477, 0 ], [ 0.00055293, -0.00042211, 0 ], [ 0.00065047, -0.00049657, 0 ], [ -0.00084594, 0.0006458, 0 ], [ 0.00039033, -0.00013352, 0 ], [ 0.00047382, 0.00087188, 0 ], [ 0.00023169, -0.00034133, 0 ], [ -0.00071615, -0.00068688, 0 ], [ -0.00049648, -0.00054413, -0.00089186 ], [ -0.00049648, -0.00054413, 0.00089186 ], [ 0.00039402, 0.00062235, -0.00089186 ], [ 0.00039402, 0.00062235, 0.00089186 ], [ 0.00022983, -0.00017545, -0.0007167 ], [ 0.00022983, -0.00017545, 0.0007167 ], [ -0.000689, 0.00052599, -0.00098384 ], [ -0.000689, 0.00052599, 0.00098384 ] ]

0.857878

21.332455

pbe

true

ee91ad93cdba7fcf2b44c94b4b186665_123_Tb1Ce1Dy14

[ "Ce", "Er", "Sm" ]

18

A12B5C

CeEr12Sm5

Ce1 Sm5 Er12

3

[ 1, 1, 1 ]

3

[ [ 11.30312932, -9e-8, -0.01770527 ], [ 5.65156456, 8.59160581, -0.00884729 ], [ 0.01857971, 0.00001438, 5.89376365 ] ]

agm006072341

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Ce", "Sm", "Sm", "Sm", "Sm", "Sm", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.05555555555555555, 0.6666666666666666, 0.2777777777777778 ]

[ [ 0.41474116, -2e-8, -0.00718384 ], [ -2e-8, 0.3520572, 0.0000011 ], [ -0.00718536, 0.0000011, 0.3616318 ] ]

-82.201713

[ 0.74, -0.002, -0.006, -0.006, -0.005, -0.005, 0.036, 0.036, 0.036, 0.036, 0.017, 0.017, 0.017, 0.017, -0.001, -0.001, -0.001, -0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00526019, 0 ], [ 0, -0.00526019, 0 ], [ 0, -0.00158312, 0 ], [ 0, 0.00158312, 0 ], [ -0.0025117, -1e-8, -0.00263988 ], [ 0.0025117, 1e-8, 0.00263988 ], [ -0.00118953, 0, -0.00139264 ], [ 0.00118953, 0, 0.00139264 ], [ -0.0012094, 0.0007833, 0.00078924 ], [ 0.0012094, 0.0007833, -0.00078924 ], [ -0.0012094, -0.0007833, 0.00078924 ], [ 0.0012094, -0.0007833, -0.00078924 ], [ -0.00227258, 0.00241386, -0.0007147 ], [ -0.00227258, -0.00241386, -0.00071471 ], [ 0.00227258, 0.00241386, 0.00071471 ], [ 0.00227258, -0.00241386, 0.0007147 ] ]

1.104902

34.924347

pbe

true

5bc53a22e610b14d83472eed126c9643_12_Ce1Sm5Er12

[ "Ce", "Fe", "Hg" ]

4

A2BC

Ce2FeHg

Ce2 Fe1 Hg1

3

[ 1, 1, 1 ]

3

[ [ 3.22328776, 0, 0 ], [ 0, 3.22328776, 0 ], [ 0, 0, 8.57720311 ] ]

agm001160640

[ [ 1.61164388, 1.61164388, 4.288601555 ], [ 0, 0, 6.8314435331306775 ], [ 0, 0, 1.745759576869321 ], [ 1.61164388, 1.61164388, 0 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}]

[ "Hg", "Ce", "Ce", "Fe" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.209828, 0, 0 ], [ 0, 5.209828, 0 ], [ 0, 0, 4.941122 ] ]

-21.127696

[ 0.002, -0.639, -0.639, 1.089 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00570847 ], [ 0, 0, -0.00570847 ], [ 0, 0, 0 ] ]

-0.572667

7.05388

pbe

true

9eb5d71f3d28e8aad508e2b32272c737_123_Ce2Fe1Hg1

[ "Ce", "Ga", "La" ]

18

A5B3C

CeGa3La5

La10 Ce2 Ga6

3

[ 1, 1, 1 ]

3

[ [ 6.88968883, 0, 0 ], [ 0, 9.29661585, 0 ], [ 0, -4.64830792, 8.05172457 ] ]

agm003567549

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "Ce", "Ce", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.3333333333333333, 0.5555555555555556 ]

[ [ 1.775312, 0, 0 ], [ 0, 1.8136444, 0 ], [ 0, 0, 1.8288038 ] ]

-85.905195

[ -0.019, -0.019, -0.019, -0.019, 0.044, 0.044, 0.044, 0.044, 0.044, 0.044, 0.956, 0.956, -0.015, -0.015, -0.015, -0.015, -0.015, -0.015 ]

[ [ 0, 0, 0.00779258 ], [ 0, 0, -0.00779258 ], [ 0, 0, -0.00779258 ], [ 0, 0, 0.00779258 ], [ 0, -0.00082251, -0.00015544 ], [ 0, -0.00082251, 0.00015544 ], [ 0, 0.00207055, 0 ], [ 0, 0.00082251, 0.00015544 ], [ 0, 0.00082251, -0.00015544 ], [ 0, -0.00207055, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00160089, -0.00365619 ], [ 0, -0.00160089, 0.00365619 ], [ 0, 0.00212996, 0 ], [ 0, 0.00160089, 0.00365619 ], [ 0, 0.00160089, -0.00365619 ], [ 0, -0.00212996, 0 ] ]

2.757841

25.00513

pbe

true

667609850258b3eb148a98f965d470bb_63_La10Ce2Ga6

[ "Ce", "Ga", "Pu" ]

16

A6BC

Ce6GaPu

Ce12 Pu2 Ga2

3

[ 1, 1, 1 ]

3

[ [ 5.92665184, -1e-8, -2e-8 ], [ -2.9633254, 6.09883989, -1.27767047 ], [ -4e-8, 0.05310527, 11.55608093 ] ]

agm005828307

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Pu", "Pu", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.75, 0.125, 0.125 ]

[ [ 4.193659, 3.3e-7, -3e-8 ], [ 3.3e-7, 4.1065893, -0.01473477 ], [ -3e-8, -0.01473457, 4.163772 ] ]

-108.185898

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00123216, 0.00395807, 0.00167442 ], [ 0.00123216, 0.00395807, 0.00167442 ], [ -0.00220692, 0.000159, -0.00703423 ], [ 0.00220692, 0.000159, -0.00703423 ], [ 0.00123216, -0.00395807, -0.00167442 ], [ -0.00123216, -0.00395807, -0.00167442 ], [ 0.00227928, 0.00014275, -0.00295963 ], [ -0.00227928, 0.00014275, -0.00295963 ], [ 0.00220692, -0.000159, 0.00703423 ], [ -0.00220692, -0.000159, 0.00703423 ], [ -0.00227928, -0.00014275, 0.00295963 ], [ 0.00227928, -0.00014275, 0.00295963 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0003758, 0, 0 ], [ 0.0003758, 0, 0 ] ]

-0.000001

35.56931

pbe

true

72a23e73df71e637230a1469c6862c0f_15_Ce12Pu2Ga2

[ "Ce", "Ga", "Si" ]

18

A5B2C2

Ce5Ga2Si2

Ce10 Ga4 Si4

3

[ 1, 1, 1 ]

3

[ [ 7.7469114, 0, 0 ], [ 0, 7.63195282, 0 ], [ 0, -3.81597641, 7.55275846 ] ]

agm003313298

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ga", "Ga", "Ga", "Ga", "Si", "Si", "Si", "Si" ]

2023-11-16 06:57:59

[ 0.5555555555555556, 0.2222222222222222, 0.2222222222222222 ]

[ [ 3.9518802, 0, 0 ], [ 0, 3.9269507, 0 ], [ 0, 0, 3.8858702 ] ]

-102.120029

[ 0.645, 0.645, 0.52, 0.52, 0.52, 0.52, 0.52, 0.52, 0.52, 0.52, 0, 0, 0, 0, -0.024, -0.024, -0.024, -0.024 ]

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6.738329

42.167347

pbe

true

8aa4d3144844169b6086346222b9cb07_64_Ce10Ga4Si4

[ "Ce", "Ge", "Pt" ]

24

ABC

CeGePt

Ce8 Ge8 Pt8

3

[ 1, 1, 1 ]

3

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agm003231498

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[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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4.711517

30.121382

pbe

true

d7b273e1f80fa33a3e136a522b5ba894_59_Ce8Ge8Pt8

[ "Ce", "Hg", "Pt" ]

9

A6B2C

Ce6HgPt2

Ce6 Hg1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 4.74659837, 0, 0 ], [ -2.37329919, 5.26229943, 0.3532084 ], [ 0, -0.88646075, 8.92380292 ] ]

agm003498086

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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Hg", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.1111111111111111, 0.2222222222222222 ]

[ [ 3.8926315, 0, 0 ], [ 0, 3.862323, -0.05053933 ], [ 0, -0.05053922, 3.8807611 ] ]

-52.841906

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3.50257

22.528397

pbe

true

0b1565b9e6e5a41ee2b136ce94861155_12_Ce6Hg1Pt2

[ "Ce", "Hg", "Tl" ]

7

A3B2C2

Ce3Hg2Tl2

Ce3 Tl2 Hg2

3

[ 1, 1, 1 ]

3

[ [ 4.85647674, 0, 0.64450757 ], [ 0, 3.36505401, 0 ], [ 0.9142205, 0, 11.73064198 ] ]

agm005558981

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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}]

[ "Ce", "Ce", "Ce", "Tl", "Tl", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.42857142857142855, 0.2857142857142857, 0.2857142857142857 ]

[ [ 3.345712, 0, 0.00859891 ], [ 0, 3.4309108, 0 ], [ 0.00859891, 0, 3.2820587 ] ]

-25.146994

[ 0.932, 1.006, 0.932, -0.01, -0.01, 0.005, 0.005 ]

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3.649589

17.74736

pbe

true

9062aa9395d868eb817c4992aabc8a20_65_Ce3Tl2Hg2

[ "Ce", "Ho", "Tm" ]

8

A5B2C

CeHo2Tm5

Ce1 Ho2 Tm5

3

[ 1, 1, 1 ]

3

[ [ 6.12125245, -0.18998823, -3.35820035 ], [ -3.93112992, 5.76712048, -0.26432085 ], [ -0.12950489, 0.18998827, 6.98072152 ] ]

agm005860199

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Ce", "Ho", "Ho", "Tm", "Tm", "Tm", "Tm", "Tm" ]

2023-11-16 06:57:59

[ 0.125, 0.25, 0.625 ]

[ [ 0.5303212, -0.09796308, -0.1104495 ], [ -0.09796308, 0.60726076, 0.16203368 ], [ -0.1104495, 0.16203368, 0.6462316 ] ]

-37.137512

[ 0.509, 0.01, 0.01, 0.015, 0.015, 0.015, 0.015, 0.004 ]

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0.671796

12.236074

pbe

true

faed56d032cea080d75a9cbd0e31ae0b_139_Ce1Ho2Tm5

[ "Ce", "I", "Tl" ]

15

A8B6C

CeI8Tl6

Ce1 Tl6 I8

3

[ 1, 1, 1 ]

3

[ [ 6.90272311, 0, 0 ], [ 0, 9.24329773, -5.33661014 ], [ 0, -0.00000855, 10.67323599 ] ]

agm006034290

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "Ce", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "I", "I", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.06666666666666667, 0.5333333333333333, 0.4 ]

[ [ 0.9835218, 0, 0 ], [ 0, 0.8967389, 1e-7 ], [ 0, -1e-8, 0.8967389 ] ]

-43.373277

[ 1.256, 0.013, 0.013, 0.013, 0.013, 0.013, 0.013, -0.004, -0.004, -0.004, -0.004, -0.004, -0.004, 0.003, 0.003 ]

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1.689534

12.389536

pbe

true

4b952f68742c3278aa7c1dbea5735580_162_Ce1Tl6I8

[ "Ce", "La", "Tc" ]

12

A3B2C

CeLa3Tc2

La6 Ce2 Tc4

3

[ 1, 1, 1 ]

3

[ [ 6.23544698, -0.97905084, 1.38402797 ], [ -2.37574783, 7.52821202, -3.87288804 ], [ 2.37574796, -1.14518406, 8.38819595 ] ]

agm005830908

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]

[ "La", "La", "La", "La", "La", "La", "Ce", "Ce", "Tc", "Tc", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 1.3542373, -0.00506178, 0.00715553 ], [ -0.00505977, 1.3252133, -0.06691551 ], [ 0.00715269, -0.06691551, 1.3724734 ] ]

-82.009773

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[ [ -0.00016494, -0.00001734, 0.00214867 ], [ -0.00016494, -0.00202029, 0.0007318 ], [ 0.00016494, 0.00202029, -0.0007318 ], [ 0.00016494, 0.00001734, -0.00214867 ], [ 0, 0.00025111, 0.00017763 ], [ 0, -0.00025111, -0.00017763 ], [ 0, 0.0014169, 0.0010023 ], [ 0, -0.0014169, -0.0010023 ], [ 0.00371448, -0.00030975, -0.0006497 ], [ 0.00371448, 0.00071576, 0.00007574 ], [ -0.00371448, -0.00071576, -0.00007574 ], [ -0.00371448, 0.00030975, 0.0006497 ] ]

-0

14.28434

pbe

true

7dc34f1fc6867c2d1af51ea44a005749_15_La6Ce2Tc4

[ "Ce", "Li", "Zr" ]

4

A2BC

Ce2LiZr

Li1 Ce2 Zr1

3

[ 1, 1, 1 ]

3

[ [ 3.10080232, 0, 0 ], [ 0, 3.10080232, 0 ], [ 0, 0, 10.39570311 ] ]

agm001142447

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]

[ "Zr", "Ce", "Ce", "Li" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.8501258, 0, 0 ], [ 0, 2.8501258, 0 ], [ 0, 0, 2.624782 ] ]

-21.77415

[ -0.029, 0.534, 0.534, 0.02 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00377407 ], [ 0, 0, 0.00377407 ], [ 0, 0, 0 ] ]

1.364136

9.038418

pbe

true

a166237540f691bef5f210e8c3b8f1ea_123_Li1Ce2Zr1

[ "Ce", "Li", "Ru" ]

6

A4BC

CeLiRu4

Li1 Ce1 Ru4

3

[ 1, 1, 1 ]

3

[ [ 5.25481279, 0, 0 ], [ 2.6274064, 4.55080137, 0 ], [ 2.6274064, 1.51693379, 4.29053668 ] ]

agm001178844

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "Ru", "Ru", "Ru", "Ru", "Ce", "Li" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ 2.794195, 0, 0 ], [ 0, 2.794195, 0 ], [ 0, 0, 2.794195 ] ]

-44.618352

[ -0.004, -0.004, -0.004, -0.004, -0.001, 0 ]

[ [ 0, 0, 0.00236003 ], [ 0, 0.00222505, -0.00078668 ], [ -0.00192695, -0.00111253, -0.00078668 ], [ 0.00192695, -0.00111253, -0.00078668 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.015777

12.861819

pbe

true

4c8793215bc67312c2bdec6d674cfaed_216_Li1Ce1Ru4

[ "Ce", "Ni", "Pt" ]

8

A4B3C

Ce4NiPt3

Ce4 Ni1 Pt3

3

[ 1, 1, 1 ]

3

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agm006103220

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[ "Ni", "Pt", "Pt", "Pt", "Ce", "Ce", "Ce", "Ce" ]

2023-11-16 06:57:59

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[ "Ce", "Ni", "Pt" ]

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A4BC

Ce4NiPt

Ce8 Ni2 Pt2

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[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ni", "Ni", "Pt", "Pt" ]

2023-11-16 06:57:59

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[ "Ce", "O", "Si" ]

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A10B8C3

Ce10O3Si8

Ce10 O3 Si8

3

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3

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mp-555617

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "O", "O", "O" ]

2019-10-23 04:59:18

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5.141

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[ "Ce", "Pa", "Ru" ]

12

A6B5C

Ce5PaRu6

Ce5 Pa1 Ru6

3

[ 1, 1, 1 ]

3

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[ "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Pa", "Ce", "Ce", "Ce", "Ce", "Ce" ]

2023-11-16 06:57:59

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pbe

true

93a22a2925f7a80b1f50ea6ce9557517_12_Ce5Pa1Ru6

[ "Ce", "Pb", "Sb" ]

13

A8B3C2

Ce8Pb3Sb2

Ce8 Sb2 Pb3

3

[ 1, 1, 1 ]

3

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Sb", "Sb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

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-71.012438

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true

c2c1931a1b7e170b35774b6a42ee4f1e_12_Ce8Sb2Pb3

[ "Ce", "Pb", "S" ]

13

A8B3C2

Ce3Pb2S8

Ce3 Pb2 S8

3

[ 1, 1, 1 ]

3

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[ "Ce", "Ce", "Ce", "Pb", "Pb", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

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[ "Ce", "Pd", "Pt" ]

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A6B2C

CePd6Pt2

Ce1 Pd6 Pt2

3

[ 1, 1, 1 ]

3

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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Ce", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pt", "Pt" ]

2023-11-16 06:57:59

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[ "Ce", "Pm", "Se" ]

15

A8B6C

CePm6Se8

Ce1 Pm6 Se8

3

[ 1, 1, 1 ]

3

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Ce", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

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pbe

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[ "Ce", "Pt", "Tl" ]

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A11B9C4

Ce11Pt4Tl9

Ce11 Tl9 Pt4

3

[ 1, 1, 1 ]

3

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agm005717549

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

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10.030531

66.56

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true

eda8e109674292f0ecf1d43502406f2f_65_Ce11Tl9Pt4

[ "Ce", "Rh", "Sm" ]

12

A8B3C

CeRh8Sm3

Ce1 Sm3 Rh8

3

[ 1, 1, 1 ]

3

[ [ 5.15313028, 0, 1.55559883 ], [ 2.34176705, 4.59030188, 1.55559883 ], [ 0.00038337, 0.00023505, 9.31174438 ] ]

agm005991272

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[ "Ce", "Sm", "Sm", "Sm", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.25 ]

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-87.241967

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0.192878

8.707068

pbe

true

0a628231a2ece89ed23334af75ed2939_160_Ce1Sm3Rh8

[ "Ce", "S", "U" ]

8

A4B3C

CeS4U3

Ce1 U3 S4

3

[ 1, 1, 1 ]

3

[ [ 5.51464003, 0, 0 ], [ 0, 5.51464003, 0 ], [ 0, 0, 5.51464003 ] ]

agm003562753

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Ce", "U", "U", "U", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.375 ]

[ [ 0.6779212, 0, 0 ], [ 0, 0.6779212, 0 ], [ 0, 0, 0.6779212 ] ]

-68.44807

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7.122701

17.436071

pbe

true

b2835a7e7e19e96ebf0a740bad0b8f79_221_Ce1U3S4

[ "Ce", "Si", "Tc" ]

12

A3B2C

CeSi3Tc2

Ce2 Si6 Tc4

3

[ 1, 1, 1 ]

3

[ [ 5.79028773, 0, 0 ], [ 0, 6.00855787, -0.13052131 ], [ 0, -1.33490207, 5.85984983 ] ]

agm003409554

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Ce", "Ce", "Si", "Si", "Si", "Si", "Si", "Si", "Tc", "Tc", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 1.9772515, 0, 0 ], [ 0, 2.0773273, -0.00449706 ], [ 0, -0.00449706, 2.0754828 ] ]

-92.529281

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0.833559

11.904552

pbe

true

217a6c3da43d48dfe20ffb918578374c_63_Ce2Si6Tc4

[ "Cl", "Co", "Fe" ]

4

A2BC

Cl2CoFe

Fe1 Co1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 6.95778764, 0.03667846, -0.03339018 ], [ 6.17371805, 3.20894992, -0.03339018 ], [ 0.41896051, 0.10355173, 3.82227991 ] ]

agm004135235

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}]

[ "Co", "Fe", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.1833878, 0.02945055, -0.02222438 ], [ 0.02945055, 2.0715127, -0.00549306 ], [ -0.02222437, -0.00549305, 2.1867242 ] ]

-19.838614

[ 1.684, 3.104, 0.091, 0.091 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00478434, -0.00118251, 0.00135764 ], [ 0.00478434, 0.00118251, -0.00135764 ] ]

5.000321

3.068711

pbe

true

7545d35ab8bd44d3e22a5a599ca772df_12_Fe1Co1Cl2

[ "Cl", "Cr", "Tc" ]

3

ABC

ClCrTc

Cr1 Tc1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.06920386, 0, 0 ], [ 2.03460193, 3.52403392, 0 ], [ 2.03460193, 1.17467797, 3.32249104 ] ]

agm003846777

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]

[ "Cr", "Tc", "Cl" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.1280036, 0, 0 ], [ 0, 4.1280036, 0 ], [ 0, 0, 4.1280036 ] ]

-18.500368

[ 3.265, -1.405, -0.031 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.046037

1.721999

pbe

true

dfc7bc1649d2cc1d8c1108e215a19a66_216_Cr1Tc1Cl1

[ "Cl", "Cs", "Pa" ]

9

A6B2C

Cl6Cs2Pa

Cs2 Pa1 Cl6

3

[ 1, 1, 1 ]

3

[ [ 7.80003225, 0, 0 ], [ 3.90001612, 6.75502608, 0 ], [ 3.90001612, 2.25167535, 6.36869966 ] ]

agm002332370

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Pa", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.2222222222222222, 0.1111111111111111 ]

[ [ -0.2683011, 0, 0 ], [ 0, -0.2683011, 0 ], [ 0, 0, -0.2683011 ] ]

-40.575441

[ 0.001, 0.001, 1.036, -0.013, -0.013, -0.013, -0.013, -0.013, -0.013 ]

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1

-0.51201

pbe

true

56c4858dea0f68ca2c193ca33f1c8618_225_Cs2Pa1Cl6

[ "Cl", "Cu", "Mg" ]

4

A2BC

ClCu2Mg

Mg1 Cu2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.35314279, 0.11001861, 0.57421735 ], [ 3.07248415, 3.08574097, 0.57421735 ], [ 3.46544607, 1.49142053, 6.83195876 ] ]

agm003925286

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Cl", "Cu", "Cu", "Mg" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -3.464105, -0.03828684, 0.26006296 ], [ -0.03828684, -3.3916194, 0.11192304 ], [ 0.26006207, 0.11192266, -3.055353 ] ]

-12.538416

[ 0, 0, 0, 0 ]

[ [ -0.00078613, -0.00033833, -0.00575556 ], [ 0.00485652, 0.0020901, 0.00663666 ], [ -0.00441127, -0.00189847, -0.00545525 ], [ 0.00034088, 0.0001467, 0.00457415 ] ]

0

0.363839

pbe

true

43b8a591dfc8428a1178bf3317c1933f_8_Mg1Cu2Cl1

[ "Cl", "F", "Ge" ]

16

A2BC

ClF2Ge

Ge4 Cl4 F8

3

[ 1, 1, 1 ]

3

[ [ 4.97465727, -0.26647146, 0.05392587 ], [ -0.25287734, 5.59557222, -0.13348876 ], [ 0.0965257, -0.25500223, 13.53190995 ] ]

agm003630562

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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]

[ "Ge", "Ge", "Ge", "Ge", "Cl", "Cl", "Cl", "Cl", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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-69.573709

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0

pbe

true

4a4c8466807d8bac8c076919711875a8_2_Ge4Cl4F8

[ "Cl", "Fe", "Ni" ]

3

ABC

ClFeNi

Fe1 Ni1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.02506039, 0, 0 ], [ -2.01253019, 3.48580455, 0 ], [ 0, 0, 2.89982172 ] ]

agm004137815

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[ "Ni", "Fe", "Cl" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -1.0748956, 0, 0 ], [ 0, -1.0748956, 0 ], [ 0, 0, -1.306597 ] ]

-14.604545

[ 0.664, 2.767, 0.078 ]

[ [ 0, 0, -0.00443248 ], [ 0, 0, 0.0044255 ], [ 0, 0, 0.00000699 ] ]

3.394073

2.675493

pbe

true

080b1bedbf5b169c7a7a5089dbbf7dd7_156_Fe1Ni1Cl1

[ "Cl", "Fe", "P" ]

5

A3BC

Cl3FeP

Fe1 P1 Cl3

3

[ 1, 1, 1 ]

3

[ [ 4.54028095, 0, 0 ], [ 0, 4.54028095, 0 ], [ 0, 0, 4.54028095 ] ]

agm002568267

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "Fe", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 0.6954266, 0, 0 ], [ 0, 0.6954266, 0 ], [ 0, 0, 0.6954266 ] ]

-17.175462

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000253

5.385571

pbe

true

cbc91365f686b54f7274fa90e5b7ac07_221_Fe1P1Cl3

[ "Cl", "Fe", "Zn" ]

8

A2BC

ClFe2Zn

Zn2 Fe4 Cl2

3

[ 1, 1, 1 ]

3

[ [ 6.674377, 0, 0 ], [ 0, 6.674377, 0 ], [ 3.3371885, 3.3371885, 2.78024431 ] ]

agm002815458

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Zn", "Zn", "Fe", "Fe", "Fe", "Fe", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.0300484, 0, 0 ], [ 0, 5.0300484, 0 ], [ 0, 0, 6.7794604 ] ]

-35.672129

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11.934081

8.811568

pbe

true

b78492a93273766db10891a69e161402_122_Zn2Fe4Cl2

[ "Cl", "H", "O" ]

11

A8B2C

Cl8H2O

H2 Cl8 O1

3

[ 1, 1, 1 ]

3

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agm006030894

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]

[ "H", "H", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O" ]

2023-11-16 06:57:59

[ 0.7272727272727273, 0.18181818181818182, 0.09090909090909091 ]

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-27.71034

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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0

pbe

true

d45cd683babc30de96083aa46703a788_1_H2Cl8O1

[ "Cl", "Hg", "La" ]

4

A2BC

ClHgLa2

La2 Hg1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 8.29530579, 0.01178728, -0.00219359 ], [ 6.44423875, 5.22341116, 0.00219359 ], [ -7.3441818, -2.68964995, 2.76423929 ] ]

agm003873115

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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]

[ "Cl", "Hg", "La", "La" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4650971, 0.0444702, -0.00803009 ], [ 0.0444702, 1.3556875, 0.02260775 ], [ -0.00803009, 0.02260775, 1.3412565 ] ]

-15.533521

[ 0, 0, 0.001, 0 ]

[ [ -0.00161413, -0.00057331, 0 ], [ 0.00215308, 0.00076473, 0 ], [ 0.00152149, 0.0005404, 0 ], [ -0.00206044, -0.00073183, 0 ] ]

0.001012

2.854559

pbe

true

090a2907628b4cd1c0a9fb63cb8d2849_44_La2Hg1Cl1

[ "Cl", "I", "Na" ]

4

A2BC

ClINa2

Na2 I1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 11.13203434, 7e-8, 0 ], [ 0.00000139, 4.00198093, 0 ], [ 0, 0, 18.6068641 ] ]

agm2000078958

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "Na", "Na", "I", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.08366614, 1e-8, 0 ], [ 1e-8, 0.03824419, 0.00879015 ], [ 0, 0.00879016, -0.03945979 ] ]

-10.365017

[ 0, 0, 0, 0 ]

[ [ -0.01958408, 0.00234314, 0.00215436 ], [ 0.01958408, 0.00234314, 0.00215436 ], [ 0, -0.00354971, -0.0032281 ], [ 0, -0.00113656, -0.00108062 ] ]

0

pbe

true

68d69d6aaa26862c5582def47b0b2f78_6_Na2I1Cl1

[ "Cl", "K", "Ni" ]

6

ABC

ClKNi

K2 Ni2 Cl2

3

[ 1, 1, 1 ]

3

[ [ 12.54442914, 0, 0.10787415 ], [ 1.38198883, 2.53489055, -2.11613913 ], [ -1.38198883, 2.53489055, 2.11613913 ] ]

agm003058768

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Ni", "Ni", "K", "K", "Cl", "Cl" ]

2023-11-16 06:57:59

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[ [ -2.0462744, 0, -0.46655107 ], [ 0, -3.409318, 0 ], [ -0.46655205, 0, -1.6553807 ] ]

-21.056937

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1.70453

4.46125

pbe

true

f2ca341e6c82efef09157fdf291d6f53_8_K2Ni2Cl2