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| 2025-04-16T16:09:32
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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true
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Al5Fe11
|
Al5Fe11
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A11B5
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/7254/MD_8978716630363783729177254.json
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PO_1061681273094257299318326
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| 2025-04-16T20:15:15
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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[
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
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[
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| 2
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/2275/MD_1144138355067849202552275.json
| null |
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PO_1060154079147616605139048
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| 2025-04-16T21:09:01
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -27,551.284129
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[
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Al8Fe8
|
AlFe
|
AB
|
[
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0.5,
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| 2
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[
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/4510/MD_7539485920500410746044510.json
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PO_1019635334356693437472003
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| 2025-04-16T17:44:01
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_6876885066995366332312033
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Al3Fe13
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Al3Fe13
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A13B3
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al4Fe12
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AlFe3
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A3B
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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true
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Al4Fe12
|
AlFe3
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A3B
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PO_1061164374146901217070969
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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Al4Fe12
|
AlFe3
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A3B
|
[
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PO_1062016552958016079939654
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
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CO_1218677064665810832379114
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
"Fe"
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[
0.375,
0.625
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26,
26,
26,
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26,
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26,
26,
26
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| 2
| 0
|
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"training_set_AlFe_862",
"training_set_AlFe_863",
"training_set_AlFe_864",
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/0208/MD_1155603013237773332380208.json
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PO_4675417503731919465131964
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -27,550.834868
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[
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CO_1337501630491575656650582
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[
true,
true,
true
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Al8Fe8
|
AlFe
|
AB
|
[
"Al",
"Fe"
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[
0.5,
0.5
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13,
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13,
13,
26,
26,
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26,
26,
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26,
26
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| 2
| 0
|
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0,
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0
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"training_set_AlFe_962",
"training_set_AlFe_963",
"training_set_AlFe_964"
] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/4878/MD_1239026646810212914564878.json
| null |
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|
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|
PO_4686385561970348347390109
|
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| 2025-04-16T20:09:34
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -40,866.507865
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[
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[
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CO_2871076487937558176413612
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[
1.327298,
3.929675,
5.388062
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] |
[
true,
true,
true
] |
Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
"Fe"
] |
[
0.25,
0.75
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[
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13,
26,
26,
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26,
26,
26,
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26,
26,
26,
26,
26
] | 16
| 2
| 0
|
[
0,
0,
0
] |
[
"training_set_AlFe_621",
"training_set_AlFe_622",
"training_set_AlFe_1585"
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/7374/MD_6546809811900184696457374.json
| null |
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|
PO_4689774484307183483707028
|
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| 2025-04-16T15:45:59
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -37,537.723564
|
[
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| null | null | null | null | null | 1.419571
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CO_1317989490023064903655951
|
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[
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] |
[
true,
true,
true
] |
Al5Fe11
|
Al5Fe11
|
A11B5
|
[
"Al",
"Fe"
] |
[
0.3125,
0.6875
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[
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13,
13,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | 16
| 2
| 0
|
[
0,
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0
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[
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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true
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Al6Fe10
|
Al3Fe5
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A5B3
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[
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PO_1021556736285133616955345
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DS_mf8sn11cn6wa_0
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ABINIT
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Al8Fe8
|
AlFe
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AB
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[
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0.5,
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data/MD/6876/MD_2063154923557164655826876.json
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PO_4694039902148732819136987
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_1285199396766422988959033
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[
true,
true,
true
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Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
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[
0.25,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/4198/MD_4564568181570687535584198.json
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PO_1063033288106710136052411
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|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1570657278517712548964188
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[
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true,
true
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Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
"Fe"
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[
0.25,
0.75
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26,
26,
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26,
26,
26,
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26,
26,
26,
26,
26
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| 2
| 0
|
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1647/MD_1268106685179285914541647.json
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PO_1063378811579665839143231
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -44,194.804266
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CO_7935416743580648324684296
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[
true,
true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
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[
0.1875,
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| 2
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"verification_set_AlFe_235",
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3637/MD_4231133045529758932163637.json
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PO_1022133093740567543855460
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| 2025-04-16T18:27:49
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -34,208.576535
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[
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CO_1331327914096989958261782
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[
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
"Fe"
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[
0.375,
0.625
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13,
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26,
26,
26,
26,
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26,
26,
26,
26,
26
] | 16
| 2
| 0
|
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0
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[
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"training_set_AlFe_819",
"training_set_AlFe_824",
"training_set_AlFe_829",
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/0347/MD_5788235760604636836260347.json
| null |
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PO_1022151338264243127795044
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| 2025-04-16T18:47:56
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -47,523.15645
|
[
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CO_7105800018200737045701835
|
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] |
[
true,
true,
true
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Al2Fe14
|
AlFe7
|
A7B
|
[
"Al",
"Fe"
] |
[
0.125,
0.875
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[
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13,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | 16
| 2
| 0
|
[
0,
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0
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[
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/5839/MD_4397626076623562955325839.json
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DS_mf8sn11cn6wa_0
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Al3Fe13
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Al3Fe13
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A13B3
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DS_mf8sn11cn6wa_0
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Al5Fe11
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Al5Fe11
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A11B5
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
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Al3Fe13
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A13B3
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/3566/MD_8298520083145288904313566.json
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DS_mf8sn11cn6wa_0
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ABINIT
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Al3Fe13
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Al3Fe13
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A13B3
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
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Al3Fe13
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A13B3
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
|
Al3Fe13
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A13B3
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[
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data/MD/6876/MD_2063154923557164655826876.json
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PO_4737678185977147149775125
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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true,
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true
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AlFe15
|
AlFe15
|
A15B
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/9548/MD_3000265601274084817289548.json
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PO_4747280426368690208264101
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
| -40,866.109218
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| null | null | null | null | null | 1.389733
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| null |
CO_1235838529110868955476023
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[
1.394282,
4.434907,
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] |
[
true,
true,
true
] |
Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
"Fe"
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[
0.25,
0.75
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[
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13,
13,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | 16
| 2
| 0
|
[
0,
0,
0
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[
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"training_set_AlFe_558",
"training_set_AlFe_559",
"training_set_AlFe_560",
"training_set_AlFe_1570"
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/0825/MD_9200679686493954347950825.json
| null |
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|
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|
PO_4722168436072935237103760
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| 2025-04-16T21:43:16
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -37,538.245206
|
[
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[
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| null | null | null | null | null | 0.219293
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CO_6642510365747711504394658
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[
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[
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] |
[
true,
true,
true
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Al5Fe11
|
Al5Fe11
|
A11B5
|
[
"Al",
"Fe"
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[
0.3125,
0.6875
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[
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13,
13,
13,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | 16
| 2
| 0
|
[
0,
0,
0
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[
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"training_set_AlFe_714",
"training_set_AlFe_720",
"training_set_AlFe_726",
"training_set_AlFe_732"
] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/6235/MD_6522968420473858621086235.json
| null |
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|
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|
PO_4731230671981608394239652
|
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| 2025-04-16T21:43:16
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -54,179.046653
|
[
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[
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| null | null | null | null | null | 1.265681
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CO_7807691620715083213499888
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[
1.437614,
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4.221997
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] |
[
true,
true,
true
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Fe16
|
Fe
|
A
|
[
"Fe"
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[
1
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[
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | 16
| 1
| 0
|
[
0,
0,
0
] |
[
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"training_set_Fe_1109",
"training_set_Fe_1110",
"training_set_Fe_1111",
"training_set_Fe_1112",
"training_set_Fe_1690"
] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/6219/MD_8587536078372779025426219.json
| null |
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|
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|
PO_1065416067079093323214032
|
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| 2025-04-16T21:22:14
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -47,522.800525
|
[
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| null | null | null | null | null | 1.231287
| 0.699124
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CO_1207860348333526597559560
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[
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] |
[
true,
true,
true
] |
Al2Fe14
|
AlFe7
|
A7B
|
[
"Al",
"Fe"
] |
[
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al7Fe9
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Al7Fe9
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A9B7
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PO_1023475061145030768652670
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al8Fe8
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AlFe
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AB
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PO_1023877834083398575344409
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al6Fe10
|
Al3Fe5
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A5B3
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[
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/7808/MD_7104210669345963862817808.json
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PO_1023714052311265506163150
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al4Fe12
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AlFe3
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A3B
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al2Fe14
|
AlFe7
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A7B
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[
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data/MD/6876/MD_2063154923557164655826876.json
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PO_1067935797902388715405173
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_9938502394650581821385268
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[
true,
true,
true
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AlFe15
|
AlFe15
|
A15B
|
[
"Al",
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[
0.0625,
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/5562/MD_4638320249734097980855562.json
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PO_1067632803697790562169693
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| 2025-04-16T17:18:32
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -40,866.480926
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CO_2014697559842584040710455
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[
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true
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Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
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[
0.25,
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data/MD/6876/MD_2063154923557164655826876.json
|
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DS_mf8sn11cn6wa_0
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DFT-PBE
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Al6Fe10
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Al3Fe5
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A5B3
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DS_mf8sn11cn6wa_0
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ABINIT
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Al4Fe12
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AlFe3
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A3B
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data/MD/6876/MD_2063154923557164655826876.json
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PO_4783074977406160253089795
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al6Fe10
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Al3Fe5
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A5B3
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[
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data/MD/0024/MD_4300419163762951222520024.json
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PO_4784397060293273082457802
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al6Fe10
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Al3Fe5
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A5B3
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[
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PO_1069259453346792657183466
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Fe16
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Fe
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A
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PO_4792898353304554034485561
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_1776680941162082366976346
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[
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true
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Al2Fe14
|
AlFe7
|
A7B
|
[
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[
0.125,
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data/MD/0639/MD_1247682669959532151900639.json
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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true,
true,
true
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Al4Fe12
|
AlFe3
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A3B
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/1360/MD_2619433703127006008001360.json
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PO_1069050723459631134225994
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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Al2Fe14
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Fe16
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Fe
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A
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DS_mf8sn11cn6wa_0
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Al5Fe11
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Al5Fe11
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A11B5
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DS_mf8sn11cn6wa_0
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al5Fe11
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Al5Fe11
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A11B5
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
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Al3Fe13
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A13B3
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data/MD/6876/MD_2063154923557164655826876.json
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
|
Al3Fe13
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A13B3
|
[
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/2969/MD_1946297168724838606092969.json
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PO_1026167384133751497470904
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_1247447005187890372477587
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Al3Fe13
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Al3Fe13
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A13B3
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PO_5001425864617974083303315
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_3339767948758136045090911
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true
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Al6Fe10
|
Al3Fe5
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A5B3
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/4244/MD_5533166228797555619794244.json
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PO_5024631046129924540266534
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_4351672518161919772678229
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[
true,
true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
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0.1875,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/8474/MD_1004555879498800750798474.json
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PO_1070730067090150177516940
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -37,538.044386
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CO_1062190185745477343178265
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] |
[
true,
true,
true
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Al5Fe11
|
Al5Fe11
|
A11B5
|
[
"Al",
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[
0.3125,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
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DS_mf8sn11cn6wa_0
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DFT-PBE
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AlFe3
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A3B
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DS_mf8sn11cn6wa_0
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Al8Fe8
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AlFe
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AB
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PO_1074294651816036647843238
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DS_mf8sn11cn6wa_0
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ABINIT
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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true
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Al5Fe11
|
Al5Fe11
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A11B5
|
[
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PO_5042576081833580936664730
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_1217942878577903160945800
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/9383/MD_8435732485635795113069383.json
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PO_5051709110881896600657797
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_2421751917144145836673414
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true,
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Al5Fe11
|
Al5Fe11
|
A11B5
|
[
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3395/MD_1043514485398271366593395.json
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PO_5055995317492871372222546
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| 2025-04-16T16:03:53
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
| -27,551.145623
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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Al2Fe14
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AlFe7
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A7B
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al5Fe11
|
Al5Fe11
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A11B5
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PO_1076474941307739831509067
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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Al5Fe11
|
Al5Fe11
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A11B5
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al7Fe9
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Al7Fe9
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A9B7
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DS_mf8sn11cn6wa_0
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Al6Fe10
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Al3Fe5
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A5B3
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PO_1075392391681479224215755
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
|
Al3Fe13
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A13B3
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[
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
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PO_1075727576833483731610895
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_1179063396818036983162665
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Al3Fe13
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Al3Fe13
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A13B3
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DS_mf8sn11cn6wa_0
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DFT-PBE
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Al6Fe10
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Al3Fe5
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A5B3
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al6Fe10
|
Al3Fe5
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A5B3
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[
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PO_5062849046805648138184244
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al6Fe10
|
Al3Fe5
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A5B3
|
[
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data/MD/6876/MD_2063154923557164655826876.json
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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true,
true
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Al2Fe14
|
AlFe7
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A7B
|
[
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data/MD/6876/MD_2063154923557164655826876.json
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PO_5100687224987241897795925
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_3566982917512156369958814
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true,
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true
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Al7Fe9
|
Al7Fe9
|
A9B7
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/2626/MD_1288381996682483104642626.json
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PO_5099273576551616371203778
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| 2025-04-16T16:09:11
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_2421751917144145836673414
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[
true,
true,
true
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Al5Fe11
|
Al5Fe11
|
A11B5
|
[
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[
0.3125,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3395/MD_1043514485398271366593395.json
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PO_1077484075284872718384690
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| 2025-04-16T17:03:14
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_6558719652416366536189648
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Al5Fe11
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Al5Fe11
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A11B5
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al4Fe12
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AlFe3
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A3B
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DS_mf8sn11cn6wa_0
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al5Fe11
|
Al5Fe11
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A11B5
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[
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| 2025-04-16T16:07:25
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DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -27,552.995453
|
[
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CO_5606420964428630706137636
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[
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[
true,
true,
true
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Al8Fe8
|
AlFe
|
AB
|
[
"Al",
"Fe"
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[
0.5,
0.5
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26
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| 2
| 0
|
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0
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"training_set_AlFe_916",
"training_set_AlFe_917",
"training_set_AlFe_918",
"training_set_AlFe_919"
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3685/MD_4812873112881924371273685.json
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PO_5112698640429341898701184
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| 2025-04-16T20:32:45
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -40,866.119558
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CO_2953137252167056051823036
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[
true,
true,
true
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Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
"Fe"
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[
0.25,
0.75
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26,
26,
26,
26,
26,
26,
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26,
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| 2
| 0
|
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0
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"training_set_AlFe_549",
"training_set_AlFe_550",
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/5523/MD_1207941271074230717275523.json
| null |
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|
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|
PO_5129282306771527695054221
|
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| 2025-04-16T19:04:44
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -34,209.364577
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| null | null | null | null | null | 1.534024
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CO_8680538325585610115897733
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] |
[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
"Fe"
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[
0.375,
0.625
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26,
26,
26,
26,
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26,
26,
26
] | 16
| 2
| 0
|
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[
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"training_set_AlFe_1864",
"training_set_AlFe_1865",
"training_set_AlFe_1866",
"training_set_AlFe_1987"
] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/2283/MD_7145051938362205282482283.json
| null |
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|
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PO_5131640884147440347786665
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| 2025-04-16T20:03:40
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -40,866.841477
|
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| null | null | null | null | null | 0.206155
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CO_8175424801379774915912711
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true
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Al4Fe12
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AlFe3
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A3B
|
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[
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DS_mf8sn11cn6wa_0
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DFT-PBE
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true,
true
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Al4Fe12
|
AlFe3
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A3B
|
[
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PO_5128388543281948031520808
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_3010859386401975142231825
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[
true,
true,
true
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Al7Fe9
|
Al7Fe9
|
A9B7
|
[
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[
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/3412/MD_9327875887372596565583412.json
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PO_1079821265696669984997721
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1851048491729454474022757
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true
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AlFe15
|
AlFe15
|
A15B
|
[
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[
0.0625,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/9524/MD_1157755744734941155949524.json
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PO_1079937163861400071191223
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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ABINIT
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Al7Fe9
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Al7Fe9
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A9B7
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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true,
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true
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Al4Fe12
|
AlFe3
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A3B
|
[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/6196/MD_6654298840317305787106196.json
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PO_1078853799934273382970111
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1868284846143285775758481
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/5200/MD_4378103023781613706295200.json
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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ABINIT
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Al4Fe12
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AlFe3
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A3B
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data/MD/6876/MD_2063154923557164655826876.json
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al6Fe10
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Al3Fe5
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A5B3
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DS_mf8sn11cn6wa_0
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ABINIT
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CO_1185936307220910634216689
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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al5Fe11
|
Al5Fe11
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A11B5
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[
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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true
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Al8Fe8
|
AlFe
|
AB
|
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data/MD/6876/MD_2063154923557164655826876.json
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_8196045696661139674980266
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true
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AlFe15
|
AlFe15
|
A15B
|
[
"Al",
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[
0.0625,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/3622/MD_3779681783621605056933622.json
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PO_1031634708381255993639899
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
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Al5Fe11
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Al5Fe11
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A11B5
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PO_1082289803458734026198177
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
|
Al3Fe13
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A13B3
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[
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al3Fe13
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Al3Fe13
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A13B3
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/3566/MD_8298520083145288904313566.json
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