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PO_4670662680942402377968609
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2025-04-16T21:38:17
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_634" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4671072367192513855057379
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2025-04-16T16:23:41
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ true, true, true ]
Ag4Pd
Ag4Pd
A4B
[ "Ag", "Pd" ]
[ 0.8, 0.2 ]
[ 47, 47, 47, 47, 46 ]
5
2
3
[ 1, 1, 1 ]
[ "unrelaxed_15" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4671578669624651404290071
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2025-04-16T17:55:53
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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[ true, true, true ]
Ag4Pd7
Ag4Pd7
A7B4
[ "Ag", "Pd" ]
[ 0.36363636363636365, 0.6363636363636364 ]
[ 46, 46, 46, 46, 46, 46, 46, 47, 47, 47, 47 ]
11
2
3
[ 1, 1, 1 ]
[ "bcc_444" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4682534776425635085102729
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2025-04-16T16:29:25
DS_y5m3hunroa7x_0
1
VASP
null
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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/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4679359427689829699817093
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2025-04-17T17:35:57
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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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_578" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1062051383167667657681903
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2025-04-16T20:43:32
DS_y5m3hunroa7x_0
1
VASP
null
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null
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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_601" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1020522162142504650853929
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2025-04-16T16:42:03
DS_y5m3hunroa7x_0
1
VASP
null
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CO_4160718345809735400870948
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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/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1020707189132034072245491
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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
0.205184
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CO_5017837583693793379896475
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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_340" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1062167093703697106835494
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2025-04-16T18:05:35
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.341084
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Ag3Pd
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 47, 47, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "bcc_274" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1021726563648014503203394
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2025-04-17T18:26:41
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
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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_382" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1064070051763011069422258
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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
0.433431
0.188795
null
CO_4849329544774627397049358
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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 ]
[ "fcc_192" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1062505391551799496261276
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2025-04-16T21:13:01
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.000601
0.000354
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 ]
[ "relaxed_4" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1062399765982616319613896
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2025-04-16T20:11:35
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
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null
0.328075
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null
CO_9314826930182740768698581
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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_624" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1020958289706354599623757
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2025-04-16T21:28:46
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.405168
0.305123
null
CO_1349965700789038199845403
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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_321" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1021448075051995263824420
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2025-04-16T16:54:28
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.308344
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null
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/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4709999098885745390984587
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2025-04-16T19:56:50
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.392942
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null
CO_8144010530658974846449658
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[ [ 0, 0, 0 ], [ 2.0384375, 0, 2.0384375 ], [ 0, 2.0384375, 2.0384375 ], [ 2.0384375, -2.0384375, 4.076875 ], [ 0, 0, 4.076875 ], [ 2.0384375, 0, 6.1153125 ], [ -2.0384375, 2.0384375, 4.076875 ], [ 0, 2.0384375, 6.1153125 ] ]
[ 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_544" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4714157927579678169602236
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2025-04-16T16:25:16
DS_y5m3hunroa7x_0
1
VASP
null
-28.866006
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true
null
null
null
null
null
0.000352
0.000223
null
CO_1957493658123248979586566
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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 ]
[ "relaxed_39" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4695135007387852143389845
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2025-04-16T21:57:13
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_588" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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2025-04-16T17:31:19
DS_y5m3hunroa7x_0
1
VASP
null
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Ag4Pd3
Ag4Pd3
A4B3
[ "Ag", "Pd" ]
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7
2
3
[ 1, 1, 1 ]
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null
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null
null
null
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PO_1063714080644714955243466
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2025-04-16T19:57:47
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 ]
Ag2Pd3
Ag2Pd3
A3B2
[ "Ag", "Pd" ]
[ 0.4, 0.6 ]
[ 46, 46, 46, 47, 47 ]
5
2
3
[ 1, 1, 1 ]
[ "fcc_383" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1063307720001067203084577
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2025-04-16T20:40:07
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_369" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4753632426151717846299191
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2025-04-16T18:25:21
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 ]
[ "relaxed_63" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4750504959758965482001625
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2025-04-16T21:43:16
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 ]
[ 47, 47, 47, 47, 47, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "relaxed_53" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1064321231103021543446090
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2025-04-17T17:45:49
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag5Pd4
Ag5Pd4
A5B4
[ "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_1022821430686594962759015
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2025-04-16T20:18:09
DS_y5m3hunroa7x_0
1
VASP
null
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true
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_690" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1064695150123852718469035
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2025-04-16T18:26:36
DS_y5m3hunroa7x_0
1
VASP
null
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CO_1224639309230170899009300
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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_274" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1022469592962823816816937
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2025-04-16T20:03:41
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/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1022466421276441406837313
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2025-04-16T20:48:50
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
null
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_51" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1065307296853723015291852
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2025-04-16T18:23:00
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
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null
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CO_2220365965638357993449839
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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_667" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1065496462452673425849528
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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
0.1835
0.119983
null
CO_8550428510620987736575278
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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_575" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1065408605757992790741334
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2025-04-16T17:32:52
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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null
CO_2298450030382146286012503
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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_484" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1023194248992901579352656
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2025-04-16T19:03:17
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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null
CO_6362713654169039257178770
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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_433" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4735941410103784281638635
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2025-04-16T21:14:40
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_2522789907029450080439274
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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 ]
[ "fcc_26" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4745427038160028292012716
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2025-04-16T19:49:43
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.02319
0.016006
null
CO_1143753243888041176110749
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[ true, true, true ]
Ag3Pd2
Ag3Pd2
A3B2
[ "Ag", "Pd" ]
[ 0.6, 0.4 ]
[ 47, 47, 47, 46, 46 ]
5
2
3
[ 1, 1, 1 ]
[ "unrelaxed_19" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4732504602507603398593073
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2025-04-16T17:41:42
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0
0
null
CO_4325903282729118042440819
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Ag3Pd
Ag3Pd
A3B
[ "Ag", "Pd" ]
[ 0.75, 0.25 ]
[ 46, 47, 47, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "fcc_272" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4736949097398483540510572
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2025-04-16T20:03:53
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_145" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4749451001838053360099196
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2025-04-16T20:18:09
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
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null
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0.132753
null
CO_1264896561898552400784312
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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 ]
[ "fcc_233" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4749247858975668048041532
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2025-04-16T21:23:51
DS_y5m3hunroa7x_0
1
VASP
null
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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/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4751946754853463016585879
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2025-04-16T18:35:06
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.0002
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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 ]
[ "relaxed_3" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4756374031065530910199659
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2025-04-16T22:03:29
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.005325
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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_22" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1023962016207484304679195
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2025-04-16T15:42:51
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.42496
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null
CO_1029595534258952290828744
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[ true, true, true ]
AgPd6
AgPd6
A6B
[ "Ag", "Pd" ]
[ 0.14285714285714285, 0.8571428571428571 ]
[ 46, 46, 46, 46, 46, 46, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_99" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1067204257541345732730222
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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
0.000704
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null
CO_4291166047040048627938374
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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_59" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1066607078578834859805969
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2025-04-16T17:30:38
DS_y5m3hunroa7x_0
1
VASP
null
-28.366496
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true
null
null
null
null
null
0.207301
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null
CO_1242762606980608085767855
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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_699" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1024012018128625828120806
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2025-04-16T16:51:35
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.424342
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null
CO_9180298068986778765441382
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Ag4Pd3
Ag4Pd3
A4B3
[ "Ag", "Pd" ]
[ 0.5714285714285714, 0.42857142857142855 ]
[ 46, 46, 46, 47, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_197" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1067124341128925255939229
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2025-04-16T20:29:44
DS_y5m3hunroa7x_0
1
VASP
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
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null
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null
null
null
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PO_1067473043891820661422455
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2025-04-16T17:55:11
DS_y5m3hunroa7x_0
1
VASP
null
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null
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[ [ 0, 0, 0 ], [ 2.04299998, 2e-8, 2.043 ], [ 4.08600002, -2.04300002, 2.043 ] ]
[ true, true, true ]
Ag2Pd
Ag2Pd
A2B
[ "Ag", "Pd" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 46, 47, 47 ]
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_1067429290875060767633446
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2025-04-16T17:20:39
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.188723
0.167258
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_622" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1023646854094697665530286
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2025-04-16T18:08:39
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
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null
null
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_199" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1023887423362124802616509
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2025-04-17T18:37:27
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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0.100034
null
CO_1503643138485608998392750
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[ true, true, true ]
Ag3Pd3
AgPd
AB
[ "Ag", "Pd" ]
[ 0.5, 0.5 ]
[ 46, 46, 46, 47, 47, 47 ]
6
2
3
[ 1, 1, 1 ]
[ "bcc_753" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4771079810554254359396080
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2025-04-16T21:28:46
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.442523
0.206185
null
CO_7230760835428137443292207
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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/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4768226516684398014462844
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2025-04-16T15:41:03
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.001046
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null
CO_1220455288099039577766414
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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 ]
[ "relaxed_13" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4775077961240143412860870
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2025-04-16T16:32:13
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.132427
0.125063
null
CO_5898027617766812164970446
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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_671" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4775385320581844991639252
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2025-04-16T21:27:46
DS_y5m3hunroa7x_0
1
VASP
null
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CO_5040867378074110118918243
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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_643" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4782918020015359523075965
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2025-04-16T16:09:21
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
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[ true, true, true ]
Ag3Pd6
AgPd2
A2B
[ "Ag", "Pd" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 46, 46, 46, 46, 46, 46, 47, 47, 47 ]
9
2
3
[ 1, 1, 1 ]
[ "bcc_11" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4759614790415315440020472
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2025-04-16T20:58:52
DS_y5m3hunroa7x_0
1
VASP
null
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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_731" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4764382683871159279527812
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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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null
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CO_1158292724025833034239977
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[ true, true, true ]
AgPd3
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "bcc_21" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4766987708252384841786499
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2025-04-16T18:01:58
DS_y5m3hunroa7x_0
1
VASP
null
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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_179" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4784181493247081944837123
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2025-04-16T19:00:55
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.0002
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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 ]
[ "relaxed_46" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4784192494932297278981874
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2025-04-16T18:57:59
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
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null
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CO_1034383509526955105547964
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[ true, true, true ]
AgPd6
AgPd6
A6B
[ "Ag", "Pd" ]
[ 0.14285714285714285, 0.8571428571428571 ]
[ 46, 46, 46, 46, 46, 46, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_96" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_4790156922032828869406542
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2025-04-16T18:49:22
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.118252
0.043958
null
CO_5480981586190343962398650
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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_88" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1069427363457147899558849
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2025-04-16T21:14:40
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.014943
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Ag4Pd2
Ag2Pd
A2B
[ "Ag", "Pd" ]
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[ 47, 47, 47, 47, 46, 46 ]
6
2
3
[ 1, 1, 1 ]
[ "unrelaxed_57" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1068537683372616131184696
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2025-04-16T17:44:15
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
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null
null
null
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PO_1071647816350515032029690
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2025-04-16T21:51:46
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
CO_9150041156783746941822275
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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_481" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1069396233767102598619847
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2025-04-16T21:37:22
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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CO_2778287671756584869330341
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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_6" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1069930106199527449477559
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2025-04-16T17:18:32
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
null
null
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null
CO_5579390770768341295322735
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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_612" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1068388880041152719455493
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2025-04-16T17:14:08
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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0.085002
null
CO_1165859178573077249174964
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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_586" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1069588271278797752395551
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2025-04-16T21:43:16
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_1038436060995048752686934
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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_282" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_4512301570185363134657493
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2025-04-16T16:51:20
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.400635
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CO_7204291203937332114934918
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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_379" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4499518828037375465662984
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2025-04-16T20:24:25
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0
0
null
CO_2645448281919789223192003
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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_688" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1070665750947498780039319
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2025-04-16T21:14:40
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
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0.285881
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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_352" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5020283369136358872101436
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2025-04-17T18:06:06
DS_y5m3hunroa7x_0
1
VASP
null
-26.378964
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true
null
null
null
null
null
0.000283
0.000188
null
CO_6771345675362882353113739
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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_38" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5006386509595577807469906
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2025-04-16T17:03:14
DS_y5m3hunroa7x_0
1
VASP
null
-23.046694
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[ [ -10.492531018501007, 0.1483976752863594, -0.19400316627620065 ], [ 0.1483976752863594, -10.597099242356451, -0.1483976752863594 ], [ -0.19400316627620065, -0.1483976752863594, -10.492531018501007 ] ]
true
null
null
null
null
null
0.225446
0.145945
null
CO_1181757218666866721371831
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[ [ 1.7206295, 1.7206295, -1.7206295 ], [ 1.7206295, -1.7206295, 5.1618885 ], [ 12.044406500000001, -12.044406500000001, 12.044406500000001 ] ]
[ [ 0, 0, 0 ], [ 3.44125905, -3.44125905, 3.44125905 ], [ 1.72062947, -1.72062947, 1.72062947 ], [ 5.16188852, -5.16188852, 5.16188852 ], [ 6.88251798, -6.88251798, 6.88251798 ], [ 8.60314745, -8.60314745, 8.60314745 ], [ 10.32377703, -10.32377703, 10.32377703 ] ]
[ 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/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1025942816890486875246945
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2025-04-17T18:26:41
DS_y5m3hunroa7x_0
1
VASP
null
-29.626689
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[ [ -1.6307780472186402, 0, 0 ], [ 0, -1.2897458463971536, 0 ], [ 0, 0, -1.2897458463971536 ] ]
true
null
null
null
null
null
0.192709
0.096355
null
CO_6977433367971798328642920
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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_686" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5011441006365267676830957
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2025-04-16T18:32:26
DS_y5m3hunroa7x_0
1
VASP
null
-42.616219
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true
null
null
null
null
null
0.173554
0.113159
null
CO_4745621362879552342604784
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[ [ -4.0276, -2.0138, 2.0138 ], [ 4.0276, -4.0276, 0 ], [ 2.0138, 0, 6.041399999999999 ] ]
[ [ 0, 0, 0 ], [ -2.0138, -2.0138, 4.0276 ], [ 0, -2.0138, 6.0414 ], [ 2.0138, -2.0138, 4.0276 ], [ 0, -4.0276, 4.0276 ], [ 2.0138, -4.0276, 2.0138 ], [ 0, -2.0138, 2.0138 ], [ 2.0138, -2.0138, 0 ], [ 2.0138, -4.0276, 6.0414 ], [ 4.0276, -4.0276, 4.0276 ] ]
[ 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_139" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5014306997353575681887571
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2025-04-16T21:22:14
DS_y5m3hunroa7x_0
1
VASP
null
-21.243188
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true
null
null
null
null
null
0.237373
0.168045
null
CO_4696092514278525137967046
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[ [ 0, 0, 0 ], [ 1.98564286, 0, 1.98564286 ], [ 3.97128571, 0, 3.97128571 ], [ 3.97128571, 0, 0 ], [ 3.97128571, -1.98564286, 1.98564286 ], [ 3.97128571, -1.98564286, -1.98564286 ], [ 5.95692857, -1.98564286, 0 ] ]
[ true, true, true ]
Ag6Pd
Ag6Pd
A6B
[ "Ag", "Pd" ]
[ 0.8571428571428571, 0.14285714285714285 ]
[ 46, 47, 47, 47, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_251" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1073621761829858369852959
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2025-04-16T16:55:04
DS_y5m3hunroa7x_0
1
VASP
null
-14.219498
[ [ 0, -0.273623, 0 ], [ 0, 0, 0 ], [ 0, 0.273623, 0 ], [ 0, 0, 0 ] ]
[ [ -11.19572480876991, 0, 0 ], [ 0, -11.303804256518067, 0 ], [ 0, 0, -11.19572480876991 ] ]
true
null
null
null
null
null
0.273623
0.136812
null
CO_1220562160052948397106095
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[ [ 0, 0, 0 ], [ 1.8790855, -1.8790855, 1.8790855 ], [ 3.758171, -3.758171, 3.758171 ], [ 5.6372565, -5.6372565, 5.6372565 ] ]
[ true, true, true ]
AgPd3
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "bcc_37" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1074921497507823691735980
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2025-04-16T21:37:17
DS_y5m3hunroa7x_0
1
VASP
null
-32.125883
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true
null
null
null
null
null
0.259886
0.148838
null
CO_1338972408708355089558512
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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_392" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1073127904468301402941959
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2025-04-16T20:11:54
DS_y5m3hunroa7x_0
1
VASP
null
-42.439113
[ [ 0.230648, -0.363759, 0 ], [ 0.090198, -0.264727, 0 ], [ -0.010502, -0.020414, 0 ], [ -0.020055, 0.207244, 0 ], [ -0.237385, 0.205732, 0 ], [ -0.06414, 0.266171, 0 ], [ -0.067133, 0.234917, 0 ], [ -0.092653, 0.093632, 0 ], [ 0.084522, -0.099315, 0 ], [ 0.0865, -0.259481, 0 ] ]
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true
null
null
null
null
null
0.430719
0.230946
null
CO_8786585179424721888187799
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[ [ 0, 0, 4.0276 ], [ 4.0276, -8.0552, 0 ], [ 4.0276, 2.0138, -2.0138 ] ]
[ [ 0, 0, 0 ], [ 2.0138, 0, 2.0138 ], [ 4.0276, 0, 0 ], [ 2.0138, -2.0138, 0 ], [ 4.0276, -2.0138, 2.0138 ], [ 4.0276, -4.0276, 0 ], [ 2.0138, -4.0276, 2.0138 ], [ 6.0414, -4.0276, 2.0138 ], [ 4.0276, -6.0414, 2.0138 ], [ 6.0414, -6.0414, 0 ] ]
[ 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_80" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1027308800951050565300032
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2025-04-16T15:23:14
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
0.008358
0.003122
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CO_3797832356592002269756913
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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 ]
[ "unrelaxed_43" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5049278929756719213841364
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2025-04-16T20:04:53
DS_y5m3hunroa7x_0
1
VASP
null
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null
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null
null
0.19221
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null
CO_9801963116714209919716449
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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
[ 1, 1, 1 ]
[ "fcc_122" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5033634243150282168618528
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2025-04-16T16:32:50
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.41687
0.233457
null
CO_3758121577621166440520992
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[ true, true, true ]
Ag7Pd3
Ag7Pd3
A7B3
[ "Ag", "Pd" ]
[ 0.7, 0.3 ]
[ 46, 46, 46, 47, 47, 47, 47, 47, 47, 47 ]
10
2
3
[ 1, 1, 1 ]
[ "fcc_163" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5043763493918328555876645
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2025-04-16T20:59:49
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
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null
CO_1045148181460392102756216
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[ true, true, true ]
Ag6Pd
Ag6Pd
A6B
[ "Ag", "Pd" ]
[ 0.8571428571428571, 0.14285714285714285 ]
[ 46, 47, 47, 47, 47, 47, 47 ]
7
2
3
[ 1, 1, 1 ]
[ "fcc_249" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5045041683947705718990225
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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
0.292202
0.082634
null
CO_4331391420477470783222635
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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_335" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5045817177368376002531838
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2025-04-16T18:14:35
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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null
CO_1299116152404154298480866
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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_460" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5034620312695167885805540
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2025-04-16T16:26:41
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0
0
null
CO_2231503909143297307291797
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[ [ 0, 0, 0 ], [ 1.8790855, -1.8790855, 1.8790855 ], [ -1.8790855, 1.8790855, 1.8790855 ], [ 0, 0, 3.758171 ] ]
[ true, true, true ]
AgPd3
AgPd3
A3B
[ "Ag", "Pd" ]
[ 0.25, 0.75 ]
[ 46, 46, 46, 47 ]
4
2
3
[ 1, 1, 1 ]
[ "bcc_352" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1075959837306380877553766
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2025-04-16T16:08:59
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.204832
0.107365
null
CO_1083626710182616203423020
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[ [ 0, 0, -4.076875 ], [ 4.076875, 2.0384375, 2.0384375 ], [ 4.076875, -6.1153125, 2.0384375 ] ]
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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_421" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1028440329759303616444466
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2025-04-16T18:35:06
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.296938
0.106739
null
CO_8233240355589376204988631
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[ [ 0, 0, 0 ], [ 2e-8, -2e-8, 4.01300004 ], [ 2.00649998, -2.00649998, 4.01299996 ], [ 4.01300002, -4.01300002, 8.02600004 ], [ 4.013, -4.013, 4.013 ], [ 6.01949998, -6.01949998, 8.02599996 ] ]
[ 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_724" ]
null
data/MD/6961/MD_9868980965570439630836961.json
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null
null
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PO_1028477698487238566420256
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2025-04-16T16:29:45
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 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1076106158018059307226423
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2025-04-16T20:47:06
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 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1028665069858170113863056
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2025-04-16T16:51:35
DS_y5m3hunroa7x_0
1
VASP
null
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true
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CO_9363689571565055379911320
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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 ]
[ "relaxed_12" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_5066393306053229489828414
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2025-04-16T18:41:25
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
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_658" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5085573806980840302847104
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2025-04-16T16:33:14
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 ]
[ 46, 46, 46, 47, 47 ]
5
2
3
[ 1, 1, 1 ]
[ "fcc_439" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1077074418929649811941571
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2025-04-16T15:45:10
DS_y5m3hunroa7x_0
1
VASP
null
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null
null
null
null
null
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null
CO_8728303220803496915725347
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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_108" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
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PO_1077156764307749430680527
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2025-04-17T18:26:41
DS_y5m3hunroa7x_0
1
VASP
null
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[ true, true, true ]
Ag3Pd8
Ag3Pd8
A8B3
[ "Ag", "Pd" ]
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11
2
3
[ 1, 1, 1 ]
[ "bcc_359" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5088891352655791592540835
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2025-04-16T17:39:34
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
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null
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CO_1229721970773995327919045
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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_679" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5101537457466570864377651
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2025-04-16T19:56:50
DS_y5m3hunroa7x_0
1
VASP
null
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true
null
null
null
null
null
0.259495
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CO_7389657193307266148062863
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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_34" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
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2025-04-16T17:08:59
DS_y5m3hunroa7x_0
1
VASP
null
-26.319517
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null
null
null
null
null
0.304168
0.228942
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_706" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_1077795391910189606743807
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2025-04-16T16:20:54
DS_y5m3hunroa7x_0
1
VASP
null
-29.568626
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[ [ 2.555410137435697, 0.11810915357924591, 0.033756843861561095 ], [ 0.11810915357924591, 2.555410137435697, -0.033756843861561095 ], [ 0.033756843861561095, -0.033756843861561095, 2.2640648573974125 ] ]
true
null
null
null
null
null
0.401237
0.229176
null
CO_4416689413781074775267276
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[ [ 2.0110625, 2.0110625, 0 ], [ -4.022125, 4.022125, 4.022125 ], [ 4.022125, -4.022125, 4.022125 ] ]
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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_533" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1077466765005246753771287
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2025-04-16T20:10:06
DS_y5m3hunroa7x_0
1
VASP
null
-26.374519
[ [ 0, 0, 0 ], [ -0.196996, 0.196996, 0 ], [ -0.124434, 0.124434, 0 ], [ -0.016095, 0.016095, 0 ], [ -0.015315, 0.015315, 0 ], [ 0.015315, -0.015315, 0 ], [ 0.016095, -0.016095, 0 ], [ 0.124434, -0.124434, 0 ], [ 0.196996, -0.196996, 0 ] ]
[ [ 13.374536755165092, 0.21713690894369755, 0 ], [ 0.21713690894369755, 13.374536755165092, 0 ], [ 0, 0, 13.276962469348451 ] ]
true
null
null
null
null
null
0.278594
0.110887
null
CO_1135377632673508061095962
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[ [ 1.982166666665, 1.982166666665, 0 ], [ 0, 0, 3.96433333333 ], [ 9.910833333325, -7.92866666666, 1.982166666665 ] ]
[ [ 0, 0, 0 ], [ 1.98216667, 0, 1.98216667 ], [ 3.96433333, 0, 3.96433333 ], [ 3.96433333, -1.98216667, 1.98216667 ], [ 5.9465, -1.98216667, 3.96433333 ], [ 5.9465, -3.96433333, 1.98216667 ], [ 7.92866667, -3.96433333, 3.96433333 ], [ 7.92866667, -5.9465, 1.98216667 ], [ 9.91083333, -5.9465, 3.96433333 ] ]
[ 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_15" ]
null
data/MD/6961/MD_9868980965570439630836961.json
null
null
null
{"input": {"ediff": "1e-8", "prec": "Accurate"}, "hash": "986898096557043963083696129270425589068521386739011243346773571457759533053153368645584486873523744016987353154098266572129140844992330297631317792680405", "id": "MD_9868980965570439630836961"}
PO_5109921973422692798890095
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2025-04-16T20:17:40
DS_y5m3hunroa7x_0
1
VASP
null
-42.485425
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true
null
null
null
null
null
0.357994
0.232154
null
CO_6630658547284820301949503
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[ [ 2.0138, 2.0138, 0 ], [ 2.0138, -2.0138, 8.0552 ], [ 4.0276, -4.0276, -4.0276 ] ]
[ [ 0, 0, 0 ], [ 2.0138, 0, 2.0138 ], [ 2.0138, -2.0138, 4.0276 ], [ 4.0276, -2.0138, 6.0414 ], [ 2.0138, -2.0138, 0 ], [ 4.0276, -2.0138, -2.0138 ], [ 4.0276, -2.0138, 2.0138 ], [ 4.0276, -4.0276, 4.0276 ], [ 4.0276, -4.0276, 0 ], [ 6.0414, -4.0276, 2.0138 ] ]
[ 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_82" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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