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PO_5094734389686370974404221
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2025-04-16T16:47:26
DS_y5m3hunroa7x_0
1
VASP
null
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Ag5Pd2
Ag5Pd2
A5B2
[ "Ag", "Pd" ]
[ 0.7142857142857143, 0.2857142857142857 ]
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7
2
3
[ 1, 1, 1 ]
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-16T16:34:13
DS_y5m3hunroa7x_0
1
VASP
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_627" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5093134991663525057986641
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2025-04-16T18:14:48
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd6
Ag2Pd3
A3B2
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10
2
3
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null
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null
null
null
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PO_1078935876072105209240772
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2025-04-16T20:08:41
DS_y5m3hunroa7x_0
1
VASP
null
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Ag2Pd2
AgPd
AB
[ "Ag", "Pd" ]
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4
2
3
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null
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null
null
null
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PO_5129274791306375676338285
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2025-04-16T16:31:56
DS_y5m3hunroa7x_0
1
VASP
null
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Ag2Pd6
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
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8
2
3
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5130936607530558422995568
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2025-04-16T17:50:51
DS_y5m3hunroa7x_0
1
VASP
null
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AgPd5
AgPd5
A5B
[ "Ag", "Pd" ]
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2
3
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null
null
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PO_1078814017789197732499906
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2025-04-17T18:16:17
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
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3
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2025-04-16T18:33:21
DS_y5m3hunroa7x_0
1
VASP
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[ true, true, true ]
Ag3Pd5
Ag3Pd5
A5B3
[ "Ag", "Pd" ]
[ 0.375, 0.625 ]
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8
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1079717805081200321154977
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2025-04-16T19:03:57
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 ]
[ "unrelaxed_29" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1080100698667451641745964
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2025-04-16T16:09:32
DS_y5m3hunroa7x_0
1
VASP
null
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0.227005
0.113502
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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_646" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5136726044396788936514089
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2025-04-16T17:55:48
DS_y5m3hunroa7x_0
1
VASP
null
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null
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CO_7439027591291102837068499
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[ true, true, true ]
Ag3Pd
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 47, 47, 47, 46 ]
4
2
3
[ 1, 1, 1 ]
[ "unrelaxed_6" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1030978525083094086223256
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2025-04-16T17:07:20
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 ]
[ "fcc_184" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5159153425642969681059315
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2025-04-16T21:09:01
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
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CO_2296000935262289198552181
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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_415" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5165410329154133076987788
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2025-04-16T16:50:16
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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null
CO_9172206722541917052410041
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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_504" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5164632727228604940199173
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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
0.341108
0.184751
null
CO_7578638062231403932336606
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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_242" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5152581077200949184687856
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2025-04-16T17:44:41
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_3483840330857764515468619
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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_615" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5188953784548378601929455
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2025-04-16T19:57:22
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.184515
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null
CO_3932880369192911514002801
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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_378" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5169922503765287086577131
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2025-04-16T18:27:12
DS_y5m3hunroa7x_0
1
VASP
null
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Ag2Pd4
AgPd2
A2B
[ "Ag", "Pd" ]
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[ 47, 47, 46, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_27" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5169638006092611120169888
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2025-04-16T16:10:44
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_604" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5170030550323107776369562
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2025-04-16T16:02:31
DS_y5m3hunroa7x_0
1
VASP
null
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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_367" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1082446574460492829525532
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2025-04-16T19:01:13
DS_y5m3hunroa7x_0
1
VASP
null
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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 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1082474772072420510328489
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2025-04-16T20:03:53
DS_y5m3hunroa7x_0
1
VASP
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 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1083115785744246528888531
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2025-04-16T16:00:45
DS_y5m3hunroa7x_0
1
VASP
null
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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_44" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5168454105107083503100262
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2025-04-16T21:43:16
DS_y5m3hunroa7x_0
1
VASP
null
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null
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/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5191256213032542290097025
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2025-04-16T19:49:49
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.000879
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CO_1574525967984234133763804
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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 ]
[ "relaxed_58" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5216873881940879378685068
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2025-04-16T15:45:10
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0
0
null
CO_4211874312798358619744351
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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_5" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5220603175561836271943460
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2025-04-16T17:41:26
DS_y5m3hunroa7x_0
1
VASP
null
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0.3405
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CO_6760312498278507055143451
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[ true, true, true ]
Ag5Pd4
Ag5Pd4
A5B4
[ "Ag", "Pd" ]
[ 0.5555555555555556, 0.4444444444444444 ]
[ 46, 46, 46, 46, 47, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "bcc_705" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1084540653199076763988935
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2025-04-16T18:18:40
DS_y5m3hunroa7x_0
1
VASP
null
-36.802494
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null
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null
CO_8278369896010983231804905
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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_306" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1083759558036724852128919
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2025-04-16T20:56:28
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.217723
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null
CO_4105891141204358403328850
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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 ]
[ "fcc_63" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5197136388961179060929781
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2025-04-16T17:21:07
DS_y5m3hunroa7x_0
1
VASP
null
-29.620895
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true
null
null
null
null
null
0.136147
0.091354
null
CO_3403459300288895597932057
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[ [ 0, 0, 0 ], [ 4.076875, 0, 0 ], [ 4.076875, -2.0384375, 2.0384375 ], [ 2.0384375, 0, -2.0384375 ], [ 2.0384375, -2.0384375, 0 ], [ 6.1153125, -2.0384375, 0 ], [ 4.076875, -4.076875, 0 ], [ 6.1153125, -4.076875, 2.0384375 ] ]
[ 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_440" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5203394290626100999279916
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2025-04-16T16:07:25
DS_y5m3hunroa7x_0
1
VASP
null
-29.677395
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true
null
null
null
null
null
0.150302
0.06809
null
CO_2479405502590776831724184
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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_669" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5208614000036262993421862
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2025-04-16T22:03:29
DS_y5m3hunroa7x_0
1
VASP
null
-10.658805
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true
null
null
null
null
null
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0.156317
null
CO_7472621513183010608003385
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[ [ 3.701289, 0, 0 ], [ 0, 0, 3.701289 ], [ 5.5519335000000005, -5.5519335000000005, 5.5519335000000005 ] ]
[ [ 0, 0, 0 ], [ 1.85064448, -1.85064448, 1.85064448 ], [ 3.70128902, -3.70128902, 3.70128902 ] ]
[ true, true, true ]
AgPd2
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 46, 46, 47 ]
3
2
3
[ 1, 1, 1 ]
[ "bcc_690" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1033222753068476868200231
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2025-04-16T17:29:14
DS_y5m3hunroa7x_0
1
VASP
null
-32.121437
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true
null
null
null
null
null
0.247618
0.15791
null
CO_6636134073184272446560149
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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_585" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1084907568585427437427147
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2025-04-16T16:57:33
DS_y5m3hunroa7x_0
1
VASP
null
-7.032947
[ [ 0, 0, 0 ], [ 0, 0, 0 ] ]
[ [ -4.58468297255437, 0, 0 ], [ 0, -4.58468297255437, 0 ], [ 0, 0, -4.58468297255437 ] ]
true
null
null
null
null
null
0
0
null
CO_1111136610556489086945284
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[ [ 3.587526, 0, 0 ], [ 0, 0, 3.587526 ], [ 3.587526, -3.587526, 3.587526 ] ]
[ [ 0, 0, 0 ], [ 1.793763, -1.793763, 1.793763 ] ]
[ true, true, true ]
AgPd
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 47 ]
2
2
3
[ 1, 1, 1 ]
[ "bcc_643" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1085271485001755823479322
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2025-04-16T16:56:48
DS_y5m3hunroa7x_0
1
VASP
null
-37.324125
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true
null
null
null
null
null
0.358038
0.232047
null
CO_9545887560347416233718453
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[ [ 0, 0, 4.03733333333 ], [ 0, -6.0559999999950005, 2.018666666665 ], [ 6.0559999999950005, 2.018666666665, 0 ] ]
[ [ 0, 0, 0 ], [ 2.01866665, 0, 2.01866665 ], [ 4.03733335, 2e-8, 4.03733333 ], [ 0, -2.01866665, 2.01866665 ], [ 0, -4.03733335, 4.03733335 ], [ 2.01866665, -2.01866665, 4.03733333 ], [ 4.03733335, -2.01866669, 2.01866667 ], [ 2.01866665, -4.03733335, 2.01866667 ], [ 4.03733335, -4.03733333, 4.03733335 ] ]
[ 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_718" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1085200390488502083276367
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2025-04-16T21:52:07
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
0.384359
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[ true, true, true ]
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/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1085293490145810605363763
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2025-04-16T15:23:14
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 ]
[ "bcc_197" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1085704915196867298919099
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2025-04-16T16:46:17
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.398495
0.235203
null
CO_1177390705686981017607351
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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 ]
[ "fcc_144" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5236811051275577762724801
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2025-04-16T21:56:50
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.363755
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null
CO_2687085607134186532756851
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[ true, true, true ]
Ag8Pd
Ag8Pd
A8B
[ "Ag", "Pd" ]
[ 0.8888888888888888, 0.1111111111111111 ]
[ 46, 47, 47, 47, 47, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "fcc_14" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1033625599066532374532208
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2025-04-16T18:54:05
DS_y5m3hunroa7x_0
1
VASP
null
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[ [ 2.5698583265263957, 0, 0 ], [ 0, 2.5698583265263957, 0 ], [ 0, 0, 2.4930119598819704 ] ]
true
null
null
null
null
null
0.438159
0.218058
null
CO_8417690401047585514104062
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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_411" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1087233124468203988849873
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2025-04-16T20:52:57
DS_y5m3hunroa7x_0
1
VASP
null
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[ [ -3.3989115717399807, 0, 0 ], [ 0, -3.3989115717399807, 0 ], [ 0, 0, -2.9302784590850095 ] ]
true
null
null
null
null
null
0.39151
0.228148
null
CO_9586487259278142847454900
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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_151" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5238351593046731021400556
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2025-04-16T16:56:16
DS_y5m3hunroa7x_0
1
VASP
null
-18.45274
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true
null
null
null
null
null
0.001447
0.000724
null
CO_3324872579739183214037633
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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_3" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5239440188813517367872101
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2025-04-16T17:39:34
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.265031
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null
CO_5250618216785832026034118
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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_745" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5257481396237150091475065
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2025-04-16T21:09:01
DS_y5m3hunroa7x_0
1
VASP
null
-24.347977
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[ [ -17.763105627459943, 0, -0.013844544853785366 ], [ 0, -17.532759541904653, 0 ], [ -0.013844544853785366, 0, -17.763105627459943 ] ]
true
null
null
null
null
null
0.331954
0.147361
null
CO_6000254376112031666014141
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[ [ 0, 0, 0 ], [ 1.81814096, -1.81814096, 1.81814096 ], [ 3.63628205, -3.63628205, 3.63628205 ], [ 5.45442302, -5.45442302, 5.45442302 ], [ 7.27256398, -7.27256398, 7.27256398 ], [ 9.09070495, -9.09070495, 9.09070495 ], [ 10.90884604, -10.90884604, 10.90884604 ] ]
[ 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 ]
[ "bcc_116" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_5261058406569617193113339
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2025-04-16T21:13:01
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/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5258184855559792044330921
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2025-04-16T18:24:08
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.358038
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null
CO_9545887560347416233718453
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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_718" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1088080840051034534318910
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2025-04-16T18:24:08
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.165517
0.112095
null
CO_1069254683469430433407400
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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 ]
[ "fcc_58" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1088265051058550826105583
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2025-04-16T20:51:24
DS_y5m3hunroa7x_0
1
VASP
null
-34.440188
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true
null
null
null
null
null
0.182218
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null
CO_4351039634672158736078489
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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_519" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1088759124606651542499368
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2025-04-16T18:01:58
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.237997
0.072433
null
CO_1011817394041845518508053
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[ [ 2.0384375, 2.0384375, 0 ], [ -2.0384375, 2.0384375, 4.076875 ], [ 6.1153125, -6.1153125, 4.076875 ] ]
[ [ 0, 0, 0 ], [ 2.0384375, -2.0384375, 4.076875 ], [ 0, 0, 4.076875 ], [ 2.0384375, 0, 2.0384375 ], [ 4.076875, -2.0384375, 6.1153125 ], [ 0, 2.0384375, 2.0384375 ], [ 4.076875, -2.0384375, 2.0384375 ], [ 4.076875, -4.076875, 4.076875 ] ]
[ 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_597" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1089060291958832024021976
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2025-04-16T17:54:22
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.297119
0.184954
null
CO_3069664870090286226979848
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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_731" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5282507883520796075114685
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2025-04-16T16:28:54
DS_y5m3hunroa7x_0
1
VASP
null
-23.292757
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[ [ -6.58821263044471, -0.1970961215659672, -0.0601160080357441 ], [ -0.1970961215659672, -6.58821263044471, 0.0601160080357441 ], [ -0.0601160080357441, 0.0601160080357441, -6.161468084132745 ] ]
true
null
null
null
null
null
0.311526
0.190983
null
CO_1008596757416113948260350
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[ [ 2.0576, 2.0576, 0 ], [ -4.1152, 2.0576, 2.0576 ], [ 0, -2.0576, 6.1728 ] ]
[ [ 0, 0, 0 ], [ -2.0576, 2.0576, 4.1152 ], [ -2.0576, 0, 6.1728 ], [ 0, 2.0576, 2.0576 ], [ 0, 0, 4.1152 ] ]
[ true, true, true ]
AgPd4
AgPd4
A4B
[ "Ag", "Pd" ]
[ 0.2, 0.8 ]
[ 46, 46, 46, 46, 47 ]
5
2
3
[ 1, 1, 1 ]
[ "fcc_350" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1035217826794869443768084
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2025-04-16T17:54:28
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0
0
null
CO_2488761214235905226892648
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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_628" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1035202185218627374706527
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2025-04-16T21:30:02
DS_y5m3hunroa7x_0
1
VASP
null
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[ [ -1.4449598512708546, 0, 0 ], [ 0, -1.9540141090115035, 0 ], [ 0, 0, -1.4449598512708546 ] ]
true
null
null
null
null
null
0.350097
0.218935
null
CO_8536259516541847862811514
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[ [ 0, 4.03733333333, 0 ], [ 0, 2.018666666665, 6.0559999999950005 ], [ 6.0559999999950005, -2.018666666665, 0 ] ]
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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_47" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5275772859287968012194028
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2025-04-16T16:32:54
DS_y5m3hunroa7x_0
1
VASP
null
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null
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0
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CO_4273996130688537866159233
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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_691" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1036092082616795756672267
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2025-04-16T16:00:45
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
0.226356
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CO_4398388140939233035046316
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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_90" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1036184082197630841040875
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2025-04-16T17:32:29
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
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null
null
0.000229
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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 ]
[ "relaxed_2" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1091058956343628174878737
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2025-04-16T17:07:30
DS_y5m3hunroa7x_0
1
VASP
null
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null
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CO_1138432075624594707455329
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[ true, true, true ]
Ag2Pd2
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 47, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "bcc_219" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1091097132455812938298994
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2025-04-16T16:33:01
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.130413
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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 ]
[ "fcc_644" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5308116993379487756956258
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2025-04-16T18:04:10
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.379993
0.253329
null
CO_8067496431748636132931732
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[ [ 0, 0, 0 ], [ 2.0065, 0, 2.0065 ], [ 4.013, 0, 4.013 ] ]
[ true, true, true ]
Ag2Pd
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 46, 47, 47 ]
3
2
3
[ 1, 1, 1 ]
[ "fcc_0" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5312858833784475668971763
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2025-04-16T21:21:56
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_1037747738537483060859456
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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_531" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5317842123009877371759243
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2025-04-16T18:28:12
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
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CO_2536302874416346414988691
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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_24" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5315242750036699343444719
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2025-04-16T21:37:17
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_3347347774980831886063166
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[ [ 0, 0, 0 ], [ 2.052125, 0, 2.052125 ], [ 2.052125, -2.052125, 0 ], [ 4.10425, -2.052125, 2.052125 ] ]
[ true, true, true ]
AgPd3
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "fcc_61" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1036448178804849167487474
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2025-04-16T22:04:30
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.014123
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CO_7724614836878395618719403
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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 ]
[ "unrelaxed_26" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5319555725968709456162859
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2025-04-16T18:16:41
DS_y5m3hunroa7x_0
1
VASP
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 ]
[ "fcc_272" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5327884174397465265894066
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2025-04-16T16:47:36
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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Ag3Pd3
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 47, 47, 47, 46, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_23" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1094313491457781015511431
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2025-04-16T17:18:55
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
[ 1, 1, 1 ]
[ "fcc_625" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1094837490118626916976333
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2025-04-16T15:18:43
DS_y5m3hunroa7x_0
1
VASP
null
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null
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Ag6Pd5
Ag6Pd5
A6B5
[ "Ag", "Pd" ]
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11
2
3
[ 1, 1, 1 ]
[ "bcc_588" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1093891478406863209310458
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2025-04-16T19:56:42
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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0.12035
null
CO_4157042010919623244374093
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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_672" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1093030880316020220552805
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2025-04-16T17:15:37
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
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null
CO_9386067191637865495172956
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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_450" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1037134441829668753432803
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2025-04-16T21:44:51
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag4Pd3
Ag4Pd3
A4B3
[ "Ag", "Pd" ]
[ 0.5714285714285714, 0.42857142857142855 ]
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7
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5347607158717038293282980
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2025-04-16T16:44:56
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_5331066545454166158420417
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2025-04-16T21:09:01
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.278927
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CO_1311858476421462309931854
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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_482" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5334937445640174069678350
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2025-04-16T21:27:46
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.238311
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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_161" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1095970579443413444974387
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2025-04-16T15:44:05
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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null
0.121554
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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
[ 1, 1, 1 ]
[ "fcc_651" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1038407316981981724016142
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2025-04-16T16:33:14
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.376347
0.236612
null
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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_127" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1037928430835960422913969
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2025-04-16T18:27:12
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
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null
null
null
0.434767
0.201505
null
CO_1078323195486203776956697
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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_219" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1037600230456969966151526
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2025-04-16T16:28:54
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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0.15714
null
CO_9571877093625100292523592
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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_299" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1094424784952362710296226
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2025-04-16T21:28:46
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.396509
0.247235
null
CO_1246778569617842103840437
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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 ]
[ "fcc_152" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1095337537513386968554950
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2025-04-17T18:48:22
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.38684
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null
CO_1015788113264568162509493
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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_355" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5362005757156452671442063
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2025-04-16T16:07:26
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.161406
0.134014
null
CO_1669111184076668375527212
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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/5202/MD_1086845055867124744315202.json
null
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2025-04-16T20:18:47
DS_y5m3hunroa7x_0
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VASP
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Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
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6
2
3
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null
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null
null
null
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PO_5374075828940414091156744
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2025-04-16T21:56:50
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
[ 1, 1, 1 ]
[ "fcc_168" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5363470152386970479765095
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2025-04-16T21:12:08
DS_y5m3hunroa7x_0
1
VASP
null
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Ag6Pd3
Ag2Pd
A2B
[ "Ag", "Pd" ]
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9
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1038694437338120451920245
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2025-04-16T16:29:11
DS_y5m3hunroa7x_0
1
VASP
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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[ "fcc_617" ]
null
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null
null
null
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PO_5398182782595427963545260
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2025-04-16T16:44:56
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd6
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
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[ 46, 46, 46, 46, 46, 46, 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_1098058509794994686667212
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2025-04-16T18:49:27
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
[ 1, 1, 1 ]
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1098681432142168150937450
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2025-04-16T20:41:25
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag5Pd3
Ag5Pd3
A5B3
[ "Ag", "Pd" ]
[ 0.625, 0.375 ]
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8
2
3
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null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1097456718403008880291207
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2025-04-16T15:42:27
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag6Pd4
Ag3Pd2
A3B2
[ "Ag", "Pd" ]
[ 0.6, 0.4 ]
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10
2
3
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1097449816347889402477103
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2025-04-16T22:04:30
DS_y5m3hunroa7x_0
1
VASP
null
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AgPd3
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 47, 46, 46, 46 ]
4
2
3
[ 1, 1, 1 ]
[ "unrelaxed_5" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1097247772929763838262362
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2025-04-16T16:32:13
DS_y5m3hunroa7x_0
1
VASP
null
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null
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0.016627
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Ag5Pd
Ag5Pd
A5B
[ "Ag", "Pd" ]
[ 0.8333333333333334, 0.16666666666666666 ]
[ 47, 47, 47, 47, 47, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_48" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1097537817061709749479491
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2025-04-16T21:44:51
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
null
null
0.272344
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CO_9122877091760713151699890
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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
[ 1, 1, 1 ]
[ "fcc_473" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1097610552479238591816613
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2025-04-16T17:47:41
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
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null
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CO_1081201813206002409397002
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[ true, true, true ]
Ag8Pd
Ag8Pd
A8B
[ "Ag", "Pd" ]
[ 0.8888888888888888, 0.1111111111111111 ]
[ 46, 47, 47, 47, 47, 47, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "fcc_53" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5419291635245683988587824
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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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[ 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 ]
[ "bcc_283" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5404249055536101728883516
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2025-04-16T21:57:13
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_1156647337077835227517838
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[ true, true, true ]
Ag4Pd3
Ag4Pd3
A4B3
[ "Ag", "Pd" ]
[ 0.5714285714285714, 0.42857142857142855 ]
[ 46, 46, 46, 47, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "bcc_222" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5407853253154684654237558
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2025-04-16T17:44:53
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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0.112785
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_747" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5424610106051943369784665
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2025-04-16T20:24:05
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.203245
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null
CO_1315706686665255989418913
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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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[ "fcc_663" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1099166927827982472665325
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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
0.405001
0.252247
null
CO_1095800214053798890621191
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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_132" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1099206520557507204099482
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2025-04-16T17:20:23
DS_y5m3hunroa7x_0
1
VASP
null
-34.453514
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true
null
null
null
null
null
0.412409
0.206977
null
CO_7849880460895416141988351
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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_376" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1099080691598640319254768
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2025-04-16T16:54:22
DS_y5m3hunroa7x_0
1
VASP
null
-26.305482
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true
null
null
null
null
null
0.367841
0.225837
null
CO_5892501790224468305394279
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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_714" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1099608266878133579405233
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2025-04-16T15:43:51
DS_y5m3hunroa7x_0
1
VASP
null
-32.078598
[ [ 0.026964, -0.026964, 0.195007 ], [ -0.080946, 0.080946, 0.179003 ], [ -0.094016, 0.094016, -0.201427 ], [ 0.155893, -0.155893, -0.187487 ], [ 0.165328, -0.165328, -0.16863 ], [ -0.088973, 0.088973, -0.171472 ], [ -0.091912, 0.091912, 0.185816 ], [ 0.007662, -0.007662, 0.169189 ] ]
[ [ -1.5015477164582072, -0.005828286784404613, 0.007517669299923971 ], [ -0.005828286784404613, -1.5015477164582072, -0.007517669299923971 ], [ 0.007517669299923971, -0.007517669299923971, -1.3614359011070494 ] ]
true
null
null
null
null
null
0.289407
0.2299
null
CO_3775804647253275737132811
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[ [ 2.02475, 2.02475, 0 ], [ -4.0495, 4.0495, 4.0495 ], [ 4.0495, -4.0495, 4.0495 ] ]
[ [ 0, 0, 0 ], [ 2.02475, 0, 2.02475 ], [ 2.02475, -2.02475, 4.0495 ], [ 0, 0, 4.0495 ], [ 0, 2.02475, 2.02475 ], [ 2.02475, 0, 6.07425 ], [ -2.02475, 2.02475, 4.0495 ], [ 0, 2.02475, 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_522" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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