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| 2025-04-16T16:28:27
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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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Al8Fe8
|
AlFe
|
AB
|
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/2865/MD_1024152663512299279232865.json
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PO_1081936253018256129611893
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| 2025-04-16T16:46:57
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -30,881.614853
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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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] | 16
| 2
| 0
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/2626/MD_1288381996682483104642626.json
| null |
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|
{"input": {"cutoff-energy": {"value": 25, "units": "hartree"}, "k-point": "6x6x6"}, "hash": "2063154923557164655826876220608853591745917367015931511226343520975446289430798387688431811834510879647509745135393760302000623122646265545911386543744485", "id": "MD_2063154923557164655826876"}
|
PO_5150781227414829824307180
|
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| 2025-04-16T17:19:38
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -50,851.15162
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CO_1851048491729454474022757
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[
true,
true,
true
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AlFe15
|
AlFe15
|
A15B
|
[
"Al",
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[
0.0625,
0.9375
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[
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] | 16
| 2
| 0
|
[
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[
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/9524/MD_1157755744734941155949524.json
| null |
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|
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PO_5163648406327313270801706
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| 2025-04-16T20:40:51
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -30,881.170763
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CO_8803482367168838553249602
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true,
true,
true
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Al7Fe9
|
Al7Fe9
|
A9B7
|
[
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0.4375,
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| 2
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data/MD/4085/MD_7354100369268355091824085.json
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PO_5162690638694455152989827
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1106905743460730168948320
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[
true,
true,
true
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Al4Fe12
|
AlFe3
|
A3B
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
|
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PO_5182470952345438599025410
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_9800160337204311323320140
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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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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/6817/MD_1267338182112616271596817.json
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PO_5185343493711085047575721
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| 2025-04-16T22:03:29
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -27,552.942663
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CO_3266617040946892105149131
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[
true,
true,
true
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Al8Fe8
|
AlFe
|
AB
|
[
"Al",
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[
0.5,
0.5
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26
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/5783/MD_3683379249391761787645783.json
| null |
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PO_5187758020887853110643344
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| 2025-04-16T21:13:01
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -50,851.541832
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AlFe15
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AlFe15
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A15B
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DS_mf8sn11cn6wa_0
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ABINIT
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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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Al7Fe9
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Al7Fe9
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A9B7
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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,
true,
true
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Al2Fe14
|
AlFe7
|
A7B
|
[
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[
0.125,
0.875
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26,
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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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PO_1083620609164601011447543
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
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CO_1995580694982184292177373
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[
true,
true,
true
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Al3Fe13
|
Al3Fe13
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A13B3
|
[
"Al",
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[
0.1875,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
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PO_1084748495007799924826052
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_9811502737570938771692900
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[
true,
true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
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[
0.1875,
0.8125
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1169/MD_1372121545116129710691169.json
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PO_1083925486244937379019738
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1270972093153543907179968
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
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[
0.375,
0.625
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26
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3239/MD_1260798006007625607213239.json
| null |
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|
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PO_1032770315991449551363811
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| 2025-04-16T16:06:22
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -914.802297
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Al16
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Al
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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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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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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/9907/MD_2513679834634410701089907.json
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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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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CO_6642510365747711504394658
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Al5Fe11
|
Al5Fe11
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A11B5
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/6235/MD_6522968420473858621086235.json
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PO_1086768748590037797978837
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| 2025-04-16T18:25:21
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1123136535038293367788537
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true,
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true
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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
|
data/MD/3800/MD_1037025094516621991413800.json
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PO_1087345047547174018765219
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_8375902449978185477020673
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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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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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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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Al8Fe8
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AlFe
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AB
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DS_mf8sn11cn6wa_0
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AlFe15
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AlFe15
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A15B
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DS_mf8sn11cn6wa_0
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Fe16
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DS_mf8sn11cn6wa_0
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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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[
true,
true,
true
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Al2Fe14
|
AlFe7
|
A7B
|
[
"Al",
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/1482/MD_1024488486310459215821482.json
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PO_5245843241606372267886333
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_5056253045880660699961133
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[
true,
true,
true
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Al5Fe11
|
Al5Fe11
|
A11B5
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/5037/MD_5282051058650991183805037.json
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PO_5244884282047947244495856
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| 2025-04-16T18:57:59
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_3117530948988399835280459
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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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| 2
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[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/0841/MD_1255751631398429986430841.json
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PO_5253056767106109969119216
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
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CO_8732307692939572388016311
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[
true,
true,
true
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Fe16
|
Fe
|
A
|
[
"Fe"
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[
1
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/2274/MD_1080975142089251127492274.json
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PO_1034065955085072658700948
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| 2025-04-16T21:22:14
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -47,523.078625
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CO_6102336043698049130688740
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true,
true
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Al2Fe14
|
AlFe7
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A7B
|
[
"Al",
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[
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data/MD/1482/MD_1024488486310459215821482.json
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PO_1087926985123037599577415
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1218677064665810832379114
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
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[
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/0208/MD_1155603013237773332380208.json
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PO_5248932832593186930733779
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| 2025-04-16T21:52:07
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_5304503649654190984777559
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[
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[
true,
true,
true
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Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
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[
0.25,
0.75
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| 2
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[
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/0165/MD_7895684314182838785750165.json
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PO_5254215000668144853918981
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| 2025-04-16T18:03:12
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -44,194.952296
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CO_5355660808613512827109797
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] |
[
true,
true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
"Fe"
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[
0.1875,
0.8125
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"verification_set_AlFe_241",
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/6400/MD_8994279400198624094796400.json
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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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PO_5281394114330023952699239
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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AlFe15
|
AlFe15
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A15B
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data/MD/6876/MD_2063154923557164655826876.json
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PO_5280840047035869987046404
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_1062553676624201826037245
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Al7Fe9
|
Al7Fe9
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A9B7
|
[
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/3311/MD_8886441170112551469043311.json
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PO_1089753806510420118403708
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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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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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DFT-PBE
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Al16
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Al
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A
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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/6455/MD_9179035592196144535186455.json
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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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Al7Fe9
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Al7Fe9
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A9B7
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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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data/MD/6876/MD_2063154923557164655826876.json
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PO_5293146290598362231743560
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1270972093153543907179968
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
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0.375,
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3239/MD_1260798006007625607213239.json
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PO_5297202364059887209898267
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| 2025-04-16T21:14:40
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
| -44,194.858416
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CO_1053038996296913765541348
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true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
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[
0.1875,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1762/MD_9430028606533860284501762.json
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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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Al6Fe10
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Al3Fe5
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A5B3
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PO_5302309393470255674270582
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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Al16
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Al
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A
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PO_1090242597058998565210401
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DS_mf8sn11cn6wa_0
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ABINIT
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Al2Fe14
|
AlFe7
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A7B
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[
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data/MD/8044/MD_7458743279922871421458044.json
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DS_mf8sn11cn6wa_0
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DFT-PBE
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CO_3719780656250566480231336
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[
true,
true,
true
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Al7Fe9
|
Al7Fe9
|
A9B7
|
[
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data/MD/9524/MD_2960444989457908609169524.json
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PO_1090730795971480371685523
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_7935416743580648324684296
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true,
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true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
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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_1091736125346281156899150
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| 2025-04-16T21:27:46
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
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CO_3677836136560773500002173
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[
true,
true,
true
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Al2Fe14
|
AlFe7
|
A7B
|
[
"Al",
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[
0.125,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/7599/MD_1031674918910958507897599.json
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PO_1036315933486303283329253
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| 2025-04-16T17:11:15
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -47,522.84107
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Al16
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Al16
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Al7Fe9
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A9B7
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DS_mf8sn11cn6wa_0
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AlFe7
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DS_mf8sn11cn6wa_0
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Al8Fe8
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AB
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DS_mf8sn11cn6wa_0
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ABINIT
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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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[
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true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/8474/MD_1004555879498800750798474.json
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PO_1092522710878547562147887
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_3339767948758136045090911
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
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[
0.375,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/4244/MD_5533166228797555619794244.json
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PO_5345466119463160855554706
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| 2025-04-16T18:46:02
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_1090643579169633101658035
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[
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[
true,
true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
"Fe"
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[
0.1875,
0.8125
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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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0
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[
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"training_set_AlFe_418",
"training_set_AlFe_419",
"training_set_AlFe_420",
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3466/MD_4189865010835201201213466.json
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PO_1094231885554441914354421
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| 2025-04-16T20:48:22
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -27,551.194059
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CO_1054635606552936250647982
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[
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] |
[
true,
true,
true
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Al8Fe8
|
AlFe
|
AB
|
[
"Al",
"Fe"
] |
[
0.5,
0.5
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[
13,
13,
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13,
13,
13,
13,
13,
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_950",
"training_set_AlFe_951",
"training_set_AlFe_952",
"training_set_AlFe_953"
] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1797/MD_7731421867792282421741797.json
| null |
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|
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PO_5373783130796674227053783
|
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| 2025-04-16T17:17:43
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -37,537.717305
|
[
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Al5Fe11
|
Al5Fe11
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A11B5
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[
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[
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data/MD/6876/MD_2063154923557164655826876.json
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PO_1037945847278417369809463
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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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Al3Fe13
|
Al3Fe13
|
A13B3
|
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data/MD/6876/MD_2063154923557164655826876.json
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PO_1038113428645642733120181
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_7753645437079724030292374
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
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[
0.375,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/8066/MD_8550657286461923033818066.json
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PO_1095683001301590977718362
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -34,208.316666
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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,
26,
26
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| 2
| 0
|
[
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0
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/5960/MD_1053877196278595944835960.json
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PO_1095871022071502548279117
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -50,850.924677
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[
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CO_1057067472840907073468466
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[
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[
true,
true,
true
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AlFe15
|
AlFe15
|
A15B
|
[
"Al",
"Fe"
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[
0.0625,
0.9375
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3682/MD_1494240926719073162993682.json
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PO_1038302448943185593081211
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
| -40,866.142688
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CO_8678354830339750114264496
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[
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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,
26,
26,
26,
26
] | 16
| 2
| 0
|
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0,
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0
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"training_set_AlFe_611",
"training_set_AlFe_612",
"training_set_AlFe_613",
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] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1714/MD_8948005679915806500161714.json
| null |
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|
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PO_1038486106928915335752691
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| 2025-04-16T21:13:01
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -27,552.995181
|
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| null | null | null | null | null | 1.600265
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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"
] |
[
0.5,
0.5
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[
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13,
13,
13,
13,
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_916",
"training_set_AlFe_917",
"training_set_AlFe_918",
"training_set_AlFe_919"
] | null |
data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3685/MD_4812873112881924371273685.json
| null |
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|
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PO_5369440572778381243509364
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| 2025-04-16T16:32:22
|
DS_mf8sn11cn6wa_0
| 1
|
ABINIT
|
DFT-PBE
| -34,208.425784
|
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CO_7753645437079724030292374
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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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PO_5367987215768141400875063
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_9800160337204311323320140
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[
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true,
true
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Al3Fe13
|
Al3Fe13
|
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_1039080414452310065825515
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_5934544992144614770649445
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[
true,
true,
true
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Al4Fe12
|
AlFe3
|
A3B
|
[
"Al",
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[
0.25,
0.75
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/3413/MD_1168389839362432912413413.json
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PO_1038846437474869262940002
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|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -27,550.510509
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CO_5843326860058674958114770
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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
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[
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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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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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Al6Fe10
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Al3Fe5
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A5B3
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[
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PO_1098505334498656501800177
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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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Al16
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Al
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A
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[
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[
1
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PO_1039865996181734036814786
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DS_mf8sn11cn6wa_0
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ABINIT
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DFT-PBE
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CO_1383311314771494547302259
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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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[
0.25,
0.75
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data/MD/0499/MD_6860425887930779994300499.json
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PO_1097923971992807921590305
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
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DFT-PBE
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CO_6366731040824511607882237
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[
true,
true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
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[
0.1875,
0.8125
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/1557/MD_6813957363938680224651557.json
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PO_5403748621687755182653213
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
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CO_5201048206838393827543186
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[
true,
true,
true
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Al6Fe10
|
Al3Fe5
|
A5B3
|
[
"Al",
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[
0.375,
0.625
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26,
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26,
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26
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| 2
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[
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/7185/MD_4516933296401226428267185.json
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PO_1099678452907906226369177
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| 2025-04-16T16:05:10
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -914.973329
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[
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CO_8260870519229720223265739
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[
true,
true,
true
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Al16
|
Al
|
A
|
[
"Al"
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[
1
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13,
13,
13,
13,
13,
13,
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13,
13,
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13
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| 1
| 0
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/2479/MD_2282838038565562579262479.json
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PO_1099793831058710350539258
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| 2025-04-16T21:57:13
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -40,866.841749
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CO_1009481509509083204096572
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[
true,
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true
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Al4Fe12
|
AlFe3
|
A3B
|
[
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[
0.25,
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26,
26,
26,
26,
26,
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26,
26,
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| 2
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/9118/MD_1146091722177774880439118.json
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|
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PO_1040362779124986147294281
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| 2025-04-16T15:23:14
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -44,194.769707
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| null | null | null | null | null | 1.347926
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CO_1247447005187890372477587
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[
true,
true,
true
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Al3Fe13
|
Al3Fe13
|
A13B3
|
[
"Al",
"Fe"
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[
0.1875,
0.8125
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[
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13,
13,
26,
26,
26,
26,
26,
26,
26,
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26,
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26
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| 2
| 0
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"training_set_AlFe_468",
"training_set_AlFe_469",
"training_set_AlFe_470",
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data/MD/6876/MD_2063154923557164655826876.json
|
data/MD/4374/MD_3301649238371445732734374.json
| null |
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PO_1040661258694717529998005
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| 2025-04-16T16:04:57
|
DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
| -50,851.104273
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CO_2866615445056975401182464
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AlFe15
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AlFe15
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A15B
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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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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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CO_5355660808613512827109797
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true
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Al3Fe13
|
Al3Fe13
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A13B3
|
[
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[
0.1875,
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/6400/MD_8994279400198624094796400.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,
true
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Al2Fe14
|
AlFe7
|
A7B
|
[
"Al",
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[
0.125,
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data/MD/6876/MD_2063154923557164655826876.json
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data/MD/5926/MD_5236849618019311814505926.json
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DS_mf8sn11cn6wa_0
| 1
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ABINIT
|
DFT-PBE
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Al3Fe13
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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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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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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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Al5Fe11
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Al5Fe11
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A11B5
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PO_5462015748083818146659841
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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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DS_mf8sn11cn6wa_0
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Al4Fe12
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DS_mf8sn11cn6wa_0
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Al16
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A
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