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2025-04-16T18:52:13
DS_y5m3hunroa7x_0
1
VASP
null
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Ag2Pd2
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
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4
2
3
[ 1, 1, 1 ]
[ "fcc_129" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-16T17:09:42
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag5Pd5
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 46, 47, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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2025-04-16T20:29:09
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag2Pd5
Ag2Pd5
A5B2
[ "Ag", "Pd" ]
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[ 46, 46, 46, 46, 46, 47, 47 ]
7
2
3
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[ "fcc_104" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-16T21:22:14
DS_y5m3hunroa7x_0
1
VASP
null
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Ag3Pd4
Ag3Pd4
A4B3
[ "Ag", "Pd" ]
[ 0.42857142857142855, 0.5714285714285714 ]
[ 46, 46, 46, 46, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3253557445739892372577791
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2025-04-16T21:17:28
DS_y5m3hunroa7x_0
1
VASP
null
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Ag3Pd3
AgPd
AB
[ "Ag", "Pd" ]
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[ 47, 47, 47, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "relaxed_30" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-16T17:29:43
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
AgPd5
AgPd5
A5B
[ "Ag", "Pd" ]
[ 0.16666666666666666, 0.8333333333333334 ]
[ 46, 46, 46, 46, 46, 47 ]
6
2
3
[ 1, 1, 1 ]
[ "fcc_661" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-16T21:37:22
DS_y5m3hunroa7x_0
1
VASP
null
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Ag5Pd
Ag5Pd
A5B
[ "Ag", "Pd" ]
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6
2
3
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-16T20:40:01
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
[ 46, 46, 46, 46, 46, 47, 47, 47 ]
8
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3583718328007784345967646
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2025-04-16T21:30:02
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 47, 47, 47, 47, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_58" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3584055047223974933050732
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2025-04-16T15:44:12
DS_y5m3hunroa7x_0
1
VASP
null
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Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
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8
2
3
[ 1, 1, 1 ]
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null
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null
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PO_3589495267024068001521686
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2025-04-17T18:48:22
DS_y5m3hunroa7x_0
1
VASP
null
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Ag2Pd6
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 46, 46, 46, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3262268412968269545291045
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2025-04-16T18:14:17
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 46, 46, 47, 47, 47, 47 ]
6
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3577912132665547280440981
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2025-04-16T19:02:23
DS_y5m3hunroa7x_0
1
VASP
null
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Ag3Pd4
Ag3Pd4
A4B3
[ "Ag", "Pd" ]
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7
2
3
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3606281201533909783226770
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2025-04-16T16:52:27
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 46, 46, 47, 47, 47, 47 ]
6
2
3
[ 1, 1, 1 ]
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3611968425669483302635159
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2025-04-17T18:48:22
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag5Pd5
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 46, 47, 47, 47, 47, 47 ]
10
2
3
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3613788983763806706156012
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2025-04-16T18:05:53
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
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[ true, true, true ]
Ag3Pd7
Ag3Pd7
A7B3
[ "Ag", "Pd" ]
[ 0.3, 0.7 ]
[ 46, 46, 46, 46, 46, 46, 46, 47, 47, 47 ]
10
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3615690946771729896616947
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2025-04-16T20:51:28
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
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CO_1122215840171254744721964
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[ [ 0, 0, 0 ], [ 2.043, 0, 2.043 ], [ 4.086, -2.043, 2.043 ] ]
[ true, true, true ]
AgPd2
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
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3
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3600768966750012538889953
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2025-04-16T15:44:29
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_346" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3604749890658448999286117
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2025-04-16T15:45:10
DS_y5m3hunroa7x_0
1
VASP
null
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CO_1303907997695501475221061
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[ true, true, true ]
Ag6Pd2
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 46, 47, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_428" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3610842464418514924774379
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2025-04-16T21:22:14
DS_y5m3hunroa7x_0
1
VASP
null
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Ag7Pd2
Ag7Pd2
A7B2
[ "Ag", "Pd" ]
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9
2
3
[ 1, 1, 1 ]
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null
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null
null
null
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PO_3605822787519291954915725
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2025-04-16T20:41:25
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag6Pd2
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 46, 47, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3598976941178089572396839
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2025-04-16T17:26:50
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3619950520769815892883304
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2025-04-16T21:35:56
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "bcc_93" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3621877906292148078475530
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2025-04-16T19:49:39
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag5Pd
Ag5Pd
A5B
[ "Ag", "Pd" ]
[ 0.8333333333333334, 0.16666666666666666 ]
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6
2
3
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[ "relaxed_49" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3623275516993254187186660
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2025-04-16T21:43:25
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
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null
null
0
0
null
CO_8560814078629375740982992
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[ true, true, true ]
AgPd3
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 47, 46, 46, 46 ]
4
2
3
[ 1, 1, 1 ]
[ "unrelaxed_4" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3628823757137174287981575
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2025-04-16T16:03:23
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
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6
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
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null
null
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PO_3626886298685631497312180
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2025-04-16T16:08:10
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 46, 46, 47, 47, 47, 47 ]
6
2
3
[ 1, 1, 1 ]
[ "fcc_45" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3654580287916113277613916
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2025-04-16T15:43:52
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag6Pd4
Ag3Pd2
A3B2
[ "Ag", "Pd" ]
[ 0.6, 0.4 ]
[ 46, 46, 46, 46, 47, 47, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "fcc_206" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3632336316247476669921062
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2025-04-16T16:56:16
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
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null
0.253177
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[ true, true, true ]
Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
[ 46, 46, 46, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_409" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3645482888731111500698710
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2025-04-16T21:14:40
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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null
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[ true, true, true ]
Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
[ 46, 46, 46, 46, 46, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_501" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3668995155543086705551135
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2025-04-16T21:38:17
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag3Pd3
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 47, 47, 47, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_21" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3680194464964085268975005
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2025-04-16T21:21:36
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
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null
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null
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[ true, true, true ]
Ag2Pd7
Ag2Pd7
A7B2
[ "Ag", "Pd" ]
[ 0.2222222222222222, 0.7777777777777778 ]
[ 46, 46, 46, 46, 46, 46, 46, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3684040662269233676371276
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2025-04-16T18:24:30
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.257264
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_521" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3669802356201982824921671
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2025-04-16T19:57:50
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.187577
0.077678
null
CO_9127348739306326686227237
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[ true, true, true ]
Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
[ 46, 46, 46, 47, 47, 47, 47, 47 ]
8
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3670907139331630896875895
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2025-04-16T15:14:08
DS_y5m3hunroa7x_0
1
VASP
null
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Ag6Pd2
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 46, 47, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_569" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3672742184262255293950790
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2025-04-16T17:56:28
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag5Pd5
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 46, 47, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
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null
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null
null
null
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PO_3672018932258902969943720
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2025-04-16T21:27:22
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag2Pd3
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 47, 47, 46, 46, 46 ]
5
2
3
[ 1, 1, 1 ]
[ "unrelaxed_12" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3675012127242806691151471
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2025-04-16T17:47:40
DS_y5m3hunroa7x_0
1
VASP
null
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Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
[ 46, 46, 46, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_593" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3702400840583549719003208
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2025-04-16T20:03:53
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
10
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3702010478423560536165705
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2025-04-16T16:10:44
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag7Pd
Ag7Pd
A7B
[ "Ag", "Pd" ]
[ 0.875, 0.125 ]
[ 46, 47, 47, 47, 47, 47, 47, 47 ]
8
2
3
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[ "fcc_574" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3706504741754868626596346
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2025-04-17T18:06:06
DS_y5m3hunroa7x_0
1
VASP
null
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Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
[ 46, 46, 46, 47, 47, 47, 47, 47 ]
8
2
3
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3707489420831101824751789
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2025-04-16T18:32:26
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
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CO_1190801449964663677408600
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[ true, true, true ]
Ag6Pd2
Ag3Pd
A3B
[ "Ag", "Pd" ]
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[ 46, 46, 47, 47, 47, 47, 47, 47 ]
8
2
3
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[ "fcc_454" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3694687872324127972087226
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2025-04-16T16:31:56
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.262784
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CO_7294578822154882294316923
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[ true, true, true ]
Ag2Pd6
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 46, 46, 46, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_302" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3697333347794918864944993
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2025-04-16T20:22:40
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.405951
0.182275
null
CO_3010629980800851000685136
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[ true, true, true ]
Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "fcc_85" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3696620510103272537386080
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2025-04-16T15:45:01
DS_y5m3hunroa7x_0
1
VASP
null
-29.859263
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true
null
null
null
null
null
0.226334
0.094724
null
CO_3118922897837497949332520
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[ true, true, true ]
Ag7Pd2
Ag7Pd2
A7B2
[ "Ag", "Pd" ]
[ 0.7777777777777778, 0.2222222222222222 ]
[ 46, 46, 47, 47, 47, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "fcc_10" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3717643326004132381285998
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2025-04-16T17:07:03
DS_y5m3hunroa7x_0
1
VASP
null
-36.448943
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true
null
null
null
null
null
0.294505
0.198297
null
CO_9318873658553354269279331
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[ true, true, true ]
Ag2Pd6
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 46, 46, 46, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_280" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3721452548580970216476361
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2025-04-16T16:23:37
DS_y5m3hunroa7x_0
1
VASP
null
-27.048587
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true
null
null
null
null
null
0.387663
0.12553
null
CO_5305929467137583665769573
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[ true, true, true ]
Ag6Pd2
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 46, 47, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_567" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3720882355473471344494151
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2025-04-16T17:41:26
DS_y5m3hunroa7x_0
1
VASP
null
-28.334949
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true
null
null
null
null
null
0.279806
0.137042
null
CO_6295459944171786287244721
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[ true, true, true ]
AgPd5
AgPd5
A5B
[ "Ag", "Pd" ]
[ 0.16666666666666666, 0.8333333333333334 ]
[ 46, 46, 46, 46, 46, 47 ]
6
2
3
[ 1, 1, 1 ]
[ "fcc_649" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3743949022097383069546070
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2025-04-16T17:43:28
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.414381
0.207426
null
CO_1244188604665265748713482
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_348" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3750300452244913139679038
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2025-04-16T20:58:52
DS_y5m3hunroa7x_0
1
VASP
null
-29.275801
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true
null
null
null
null
null
0.189292
0.140802
null
CO_9204965191769303207982471
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[ true, true, true ]
Ag3Pd4
Ag3Pd4
A4B3
[ "Ag", "Pd" ]
[ 0.42857142857142855, 0.5714285714285714 ]
[ 46, 46, 46, 46, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_185" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3753429655655882572215602
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2025-04-16T21:37:17
DS_y5m3hunroa7x_0
1
VASP
null
-32.079175
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true
null
null
null
null
null
0.387277
0.246842
null
CO_5573177787558492088959234
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[ [ 0, 0, 0 ], [ -2.02475, 4.0495, 2.02475 ], [ -2.02475, 2.02475, 4.0495 ], [ 0, 2.02475, 2.02475 ], [ 0, 2.02475, 6.07425 ], [ -2.02475, 2.02475, 0 ], [ 0, 0, 4.0495 ], [ 2.02475, 0, 6.07425 ] ]
[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_526" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3744529653725275365045176
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2025-04-16T21:51:46
DS_y5m3hunroa7x_0
1
VASP
null
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Ag6Pd2
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 46, 47, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_556" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3744453233104624333606721
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2025-04-16T20:04:52
DS_y5m3hunroa7x_0
1
VASP
null
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Ag5Pd4
Ag5Pd4
A5B4
[ "Ag", "Pd" ]
[ 0.5555555555555556, 0.4444444444444444 ]
[ 46, 46, 46, 46, 47, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "fcc_48" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3758428697800029929833044
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2025-04-16T18:36:02
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 47, 47, 47, 47, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_61" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3767292177239696432140959
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2025-04-17T18:16:17
DS_y5m3hunroa7x_0
1
VASP
null
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Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
[ 46, 46, 46, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_636" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3269269834575105059810759
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2025-04-16T18:30:57
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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[ true, true, true ]
Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
[ 46, 46, 46, 46, 46, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_655" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3757590022330530086021687
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2025-04-16T21:51:46
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "fcc_78" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3763098676546008164272799
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2025-04-16T18:29:13
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd3
Ag4Pd3
A4B3
[ "Ag", "Pd" ]
[ 0.5714285714285714, 0.42857142857142855 ]
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7
2
3
[ 1, 1, 1 ]
[ "fcc_155" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3766263933738180920426729
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2025-04-16T20:09:39
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.247907
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[ true, true, true ]
Ag2Pd6
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 46, 46, 46, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_603" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3766006056385323053709027
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2025-04-16T21:38:17
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.000601
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Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 47, 47, 47, 47, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "relaxed_4" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3271786412476867681586530
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2025-04-16T16:09:11
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
null
0.474197
0.229142
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[ true, true, true ]
Ag2Pd5
Ag2Pd5
A5B2
[ "Ag", "Pd" ]
[ 0.2857142857142857, 0.7142857142857143 ]
[ 46, 46, 46, 46, 46, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_137" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3273395842520404988206120
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2025-04-16T18:13:40
DS_y5m3hunroa7x_0
1
VASP
null
-34.360525
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null
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null
CO_6584061168623035697058983
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[ true, true, true ]
Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
[ 46, 46, 46, 46, 46, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_314" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3273522528875035217861269
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2025-04-16T17:24:18
DS_y5m3hunroa7x_0
1
VASP
null
-32.038349
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true
null
null
null
null
null
0.28949
0.188988
null
CO_7652878870373355028295038
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_382" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3276879540901559994619756
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2025-04-17T18:16:17
DS_y5m3hunroa7x_0
1
VASP
null
-34.003108
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true
null
null
null
null
null
0.399931
0.140887
null
CO_8803225044778405263405825
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[ true, true, true ]
Ag6Pd4
Ag3Pd2
A3B2
[ "Ag", "Pd" ]
[ 0.6, 0.4 ]
[ 46, 46, 46, 46, 47, 47, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "bcc_202" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3277958521851467554049822
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2025-04-16T15:42:55
DS_y5m3hunroa7x_0
1
VASP
null
-26.428743
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null
null
null
null
null
0.000787
0.000416
null
CO_3144341577173946650072936
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[ true, true, true ]
Ag2Pd4
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 47, 47, 46, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "relaxed_34" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3309926462158128202234807
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2025-04-16T20:04:32
DS_y5m3hunroa7x_0
1
VASP
null
-32.115125
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true
null
null
null
null
null
0.246406
0.112199
null
CO_1283540898608289021108648
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_400" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3293269948191124999405498
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2025-04-16T21:52:07
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_1041502539870741678929064
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[ true, true, true ]
Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 47, 47, 47, 47, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_60" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3295908111085495078618879
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2025-04-16T21:38:17
DS_y5m3hunroa7x_0
1
VASP
null
-24.062048
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true
null
null
null
null
null
0.4479
0.23911
null
CO_1408554223215361849804743
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[ true, true, true ]
Ag5Pd2
Ag5Pd2
A5B2
[ "Ag", "Pd" ]
[ 0.7142857142857143, 0.2857142857142857 ]
[ 46, 46, 47, 47, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_3297614393786862815416352
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2025-04-16T20:32:44
DS_y5m3hunroa7x_0
1
VASP
null
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Ag2Pd4
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 47, 47, 46, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "relaxed_35" ]
null
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null
null
null
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PO_3294575682151659713116586
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2025-04-16T15:44:14
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
null
0.000212
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[ true, true, true ]
Ag2Pd4
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 47, 47, 46, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "relaxed_37" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3315451560195572593303567
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2025-04-16T15:09:29
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
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null
null
0.380892
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[ true, true, true ]
Ag4Pd5
Ag4Pd5
A5B4
[ "Ag", "Pd" ]
[ 0.4444444444444444, 0.5555555555555556 ]
[ 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "fcc_716" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3312944371997220652508327
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2025-04-16T15:42:55
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
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[ true, true, true ]
Ag3Pd
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 47, 47, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "bcc_288" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3347305521145643869620140
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2025-04-16T15:14:03
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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null
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[ true, true, true ]
Ag5Pd
Ag5Pd
A5B
[ "Ag", "Pd" ]
[ 0.8333333333333334, 0.16666666666666666 ]
[ 46, 47, 47, 47, 47, 47 ]
6
2
3
[ 1, 1, 1 ]
[ "fcc_76" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3324459998040328052473435
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2025-04-16T16:56:51
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "fcc_135" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3338685058005652751757620
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2025-04-16T21:44:51
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.340601
0.148119
null
CO_3380536721202132389420700
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[ true, true, true ]
Ag5Pd6
Ag5Pd6
A6B5
[ "Ag", "Pd" ]
[ 0.45454545454545453, 0.5454545454545454 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47, 47, 47 ]
11
2
3
[ 1, 1, 1 ]
[ "bcc_390" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3329806165103913527066701
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2025-04-16T15:44:44
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.424874
0.199553
null
CO_3174959981462621877307488
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[ true, true, true ]
Ag4Pd5
Ag4Pd5
A5B4
[ "Ag", "Pd" ]
[ 0.4444444444444444, 0.5555555555555556 ]
[ 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "fcc_727" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3334849815120332435440431
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2025-04-16T18:11:11
DS_y5m3hunroa7x_0
1
VASP
null
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Ag2Pd6
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 46, 46, 46, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_277" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-17T18:48:22
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag6Pd2
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 46, 47, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3359391366855069233732305
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2025-04-17T18:37:27
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "fcc_126" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3356868436276300563685955
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2025-04-16T18:45:21
DS_y5m3hunroa7x_0
1
VASP
null
-15.9716
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null
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null
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[ true, true, true ]
Ag4Pd
Ag4Pd
A4B
[ "Ag", "Pd" ]
[ 0.8, 0.2 ]
[ 46, 47, 47, 47, 47 ]
5
2
3
[ 1, 1, 1 ]
[ "fcc_583" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3356448601219461917581810
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2025-04-16T17:21:42
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.236367
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null
CO_2002234800953281540461484
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[ true, true, true ]
Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
[ 46, 46, 46, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_630" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3372293193745772801488325
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2025-04-16T19:04:44
DS_y5m3hunroa7x_0
1
VASP
null
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true
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null
null
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0.134014
null
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[ true, true, true ]
Ag2Pd6
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 46, 46, 46, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_656" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3373648315698179511181632
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2025-04-16T16:10:20
DS_y5m3hunroa7x_0
1
VASP
null
-12.988664
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true
null
null
null
null
null
0
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null
CO_8476140132627577417331708
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[ [ 0, 0, 0 ], [ 1.7084405, -1.7084405, 1.7084405 ], [ -1.7084405, 1.7084405, 1.7084405 ], [ 0, 0, 3.416881 ] ]
[ true, true, true ]
Ag3Pd
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 47, 47, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "bcc_381" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3363450424483153542029852
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2025-04-16T20:29:09
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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CO_2630920838582617382560202
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_523" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3378587360947384401115285
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2025-04-16T15:44:34
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.38602
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null
CO_9670435211483267516223899
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[ [ 0, 0, 0 ], [ 2.04299998, -2.04299998, 4.08599996 ], [ 2e-8, -2e-8, 4.08600004 ], [ 4.086, -4.086, 4.086 ], [ 4.08600002, -4.08600002, 8.17200004 ], [ 6.12899998, -6.12899998, 8.17199996 ] ]
[ true, true, true ]
Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 46, 46, 47, 47, 47, 47 ]
6
2
3
[ 1, 1, 1 ]
[ "fcc_59" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3414926761807771454526060
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2025-04-16T21:51:00
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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[ true, true, true ]
Ag2Pd4
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 46, 46, 46, 46, 47, 47 ]
6
2
3
[ 1, 1, 1 ]
[ "fcc_736" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3390377721717652225326995
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2025-04-16T18:45:26
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.285726
0.101879
null
CO_3228439780162732565471593
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[ true, true, true ]
Ag6Pd4
Ag3Pd2
A3B2
[ "Ag", "Pd" ]
[ 0.6, 0.4 ]
[ 46, 46, 46, 46, 47, 47, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "fcc_182" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3395534180974395061326702
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2025-04-16T15:43:51
DS_y5m3hunroa7x_0
1
VASP
null
-21.240125
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true
null
null
null
null
null
0.00177
0.000979
null
CO_1168976870285008167084950
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[ true, true, true ]
Ag2Pd3
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 47, 47, 46, 46, 46 ]
5
2
3
[ 1, 1, 1 ]
[ "unrelaxed_10" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3398301466966042462301966
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2025-04-17T17:45:49
DS_y5m3hunroa7x_0
1
VASP
null
-38.443764
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true
null
null
null
null
null
0.256624
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null
CO_6862175474149710534720362
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[ true, true, true ]
AgPd7
AgPd7
A7B
[ "Ag", "Pd" ]
[ 0.125, 0.875 ]
[ 46, 46, 46, 46, 46, 46, 46, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_478" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3398593497837326647948261
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2025-04-16T17:30:38
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.004983
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null
CO_6661063950660255011475779
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[ true, true, true ]
Ag2Pd4
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 47, 47, 46, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_27" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3399568413009305552870378
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2025-04-16T21:21:56
DS_y5m3hunroa7x_0
1
VASP
null
-28.820789
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[ [ -10.38652050204797, 0, 0 ], [ 0, -10.747264743176645, 0 ], [ 0, 0, -10.38652050204797 ] ]
true
null
null
null
null
null
0.323636
0.164256
null
CO_1212009071855736725838858
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[ true, true, true ]
Ag7Pd2
Ag7Pd2
A7B2
[ "Ag", "Pd" ]
[ 0.7777777777777778, 0.2222222222222222 ]
[ 46, 46, 47, 47, 47, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "bcc_6" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3432234518623467952211261
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2025-04-16T18:14:48
DS_y5m3hunroa7x_0
1
VASP
null
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[ [ -1.0943858066837495, 0, 0 ], [ 0, -1.6283798910347718, 0 ], [ 0, 0, -1.3117474974047623 ] ]
true
null
null
null
null
null
0.210526
0.163314
null
CO_4810740319694500388626784
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_525" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3449573874919196211118674
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2025-04-16T21:27:46
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.405361
0.188105
null
CO_2258381029734435487350009
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[ true, true, true ]
Ag4Pd4
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 46, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_317" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3469497139543156746897238
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2025-04-17T18:06:06
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.359749
0.172644
null
CO_1184684391401338799363703
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[ [ 2.0384375, 2.0384375, 0 ], [ 0, 2.0384375, 2.0384375 ], [ 10.192187500000001, -12.230625, 10.192187500000001 ] ]
[ [ 0, 0, 0 ], [ 4.076875, 0, 4.076875 ], [ 8.15375, -4.076875, 8.15375 ], [ 2.0384375, 0, 2.0384375 ], [ 4.076875, -4.076875, 4.076875 ], [ 6.1153125, -4.076875, 6.1153125 ], [ 8.15375, -8.15375, 8.15375 ], [ 10.1921875, -8.15375, 10.1921875 ] ]
[ true, true, true ]
Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
[ 46, 46, 46, 46, 46, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_308" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_3470186339832376130905130
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2025-04-16T17:50:49
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag5Pd2
Ag5Pd2
A5B2
[ "Ag", "Pd" ]
[ 0.7142857142857143, 0.2857142857142857 ]
[ 46, 46, 47, 47, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_246" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3457721064752318786123270
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2025-04-16T17:45:47
DS_y5m3hunroa7x_0
1
VASP
null
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true
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null
null
0.362964
0.200819
null
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[ true, true, true ]
Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
[ 46, 46, 46, 46, 46, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_499" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_3451432993207835389989528
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2025-04-16T15:42:34
DS_y5m3hunroa7x_0
1
VASP
null
-18.996085
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null
null
null
null
null
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null
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[ true, true, true ]
Ag5Pd
Ag5Pd
A5B
[ "Ag", "Pd" ]
[ 0.8333333333333334, 0.16666666666666666 ]
[ 47, 47, 47, 47, 47, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "relaxed_52" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3480392466762512534104664
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2025-04-17T18:06:06
DS_y5m3hunroa7x_0
1
VASP
null
-37.353295
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null
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null
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[ true, true, true ]
Ag4Pd5
Ag4Pd5
A5B4
[ "Ag", "Pd" ]
[ 0.4444444444444444, 0.5555555555555556 ]
[ 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "fcc_730" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3508013109886339989226707
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2025-04-16T15:44:22
DS_y5m3hunroa7x_0
1
VASP
null
-29.647187
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true
null
null
null
null
null
0.177625
0.109536
null
CO_7712311634017028198757194
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[ true, true, true ]
Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
[ 46, 46, 46, 47, 47, 47, 47, 47 ]
8
2
3
[ 1, 1, 1 ]
[ "fcc_564" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_3505215386265296061744775
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2025-04-16T20:46:51
DS_y5m3hunroa7x_0
1
VASP
null
-28.873623
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true
null
null
null
null
null
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[ true, true, true ]
AgPd5
AgPd5
A5B
[ "Ag", "Pd" ]
[ 0.16666666666666666, 0.8333333333333334 ]
[ 47, 46, 46, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_41" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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