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PO_1002065006144325787917863
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| 2025-04-16T21:22:14
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DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.938023
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[] |
[] | null | null | null | null | null | null | null | null | null |
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C2H3As8Mn32Sb24
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As8C2H3Mn32Sb24
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A32B24C8D3E2
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002064106362443141434365
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| 2025-04-16T21:52:07
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.826805
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1190858963415073344771950
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C2H4Ga40OPt20Ru20
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C2Ga40H4OPt20Ru20
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A40B20C20D4E2F
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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C2H5Ga32O2Te32
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C2Ga32H5O2Te32
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A32B32C5D2E2
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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VASP
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[] |
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CPt24Sn36
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CPt24Sn36
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A36B24C
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[
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| 2025-04-16T16:20:54
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5573174410608615474717540
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H3NPt16Y16
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A16B16C3D
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002135309018991024205375
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| 2025-04-16T16:26:36
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1087119900433076763840344
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C2H4Al16Cu64O
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Al16C2Cu64H4O
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A64B16C4D2E
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6587756663891687624373676
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CAu36Zr18
|
Au36CZr18
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A36B18C
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1002192755872829486822774
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| 2025-04-16T18:43:13
|
DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1322100605800451843873397
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C2H2Au16In32O
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Au16C2H2In32O
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A32B16C2D2E
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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HN33Na16V16
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HN33Na16V16
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A33B16C16D
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| 2025-04-16T21:13:40
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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CO_1407238455992131934379955
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T17:55:48
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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DS_armtbsouma25_0
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C2H4O2Sc40Sn24
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CH2OSc20Sn12
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A20B12C2DE
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9585412569379891750496171
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C2HCr72O
|
C2Cr72HO
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A72B2CD
|
[
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| 4
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002323267252309077462450
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| 2025-04-16T15:43:10
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.492905
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1430046478441907967664160
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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A48B16C3D
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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CH4Ir48N2ORu16
|
CH4Ir48N2ORu16
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A48B16C4D2EF
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[
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[
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| 2025-04-16T21:29:37
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2331169563157488190281249
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C2HCu72
|
C2Cu72H
|
A72B2C
|
[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002443896677052631239629
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| 2025-04-16T16:54:17
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.611587
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1335735196527542984186839
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DS_armtbsouma25_0
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A24B8C
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DS_armtbsouma25_0
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A36B27C2D2
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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Al16Fe16N2OY16
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A16B16C16D2E
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[
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PO_1002493715796296367944313
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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CHg12NZr36
|
CHg12NZr36
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A36B12CD
|
[
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[
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PO_1000047164671353329171899
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| 2025-04-16T21:44:51
|
DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
| 0.454969
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3017442548558824422034255
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OPt32Sn48
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A48B32C
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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[] |
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HIn48K12
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HIn48K12
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A48B12C
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000060022622171793954610
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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C2H2Cr16Rh32Sn16
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CCr8HRh16Sn8
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A16B8C8DE
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[
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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HPt54V18
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HPt54V18
|
A54B18C
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000079021409495928985909
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| 2025-04-16T16:08:30
|
DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2370215224512685085877023
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C2H3Ru36Sc36
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C2H3Ru36Sc36
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A36B36C3D2
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000085106539505591544235
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4737273641054341945373820
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Al36Ni60O
|
Al36Ni60O
|
A60B36C
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[
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[
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| 3
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000237795250298903824306
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| 2025-04-16T19:01:02
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.129038
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4600674343321360644275731
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A48B48C2D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T21:28:46
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
| -5.040348
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9367837391241137082037775
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C2H3Ta24Zn72
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A72B24C3D2
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DS_armtbsouma25_0
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VASP
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[] |
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C2H2Ir24O2Si24Ti24
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CHIr12OSi12Ti12
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A12B12C12DEF
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000218343527156358764215
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5303819282381575204678554
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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NO3Ru40Ti40
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NO3Ru40Ti40
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A40B40C3D
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[
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"ocp100k_134140",
"ocp100k_109197",
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000240026268483905133845
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1646271499007733745168094
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H2Ga36N2OZr12
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Ga36H2N2OZr12
|
A36B12C2D2E
|
[
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[
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PO_1000261069600575134196125
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| 2025-04-16T17:26:05
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DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.494056
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8900492255148694023299058
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CH4OPd12Te24
|
CH4OPd12Te24
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A24B12C4DE
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1000281269792892582764535
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| 2025-04-16T17:41:42
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DS_armtbsouma25_0
| 1
|
VASP
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DFT-rPBE
| 0.758335
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7958921568231878387011473
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HN49OSr48
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HN49OSr48
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A49B48CD
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000292551942260006500930
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| 2025-04-16T17:47:45
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.762873
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1211898748738701744756447
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DS_armtbsouma25_0
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T17:19:38
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
| -0.868685
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[] |
[] | null | null | null | null | null | null | null | null | null |
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C2H3Ge72O2Pt48
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C2Ge72H3O2Pt48
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A72B48C3D2E2
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000195314131507735325772
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| 2025-04-16T22:04:30
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8754658697310524456189872
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C2H4Ga24OPt12
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C2Ga24H4OPt12
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A24B12C4D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000172241778610201523009
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| 2025-04-17T17:56:16
|
DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
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|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2451133285804467193722229
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H2Hg40N2Ti40
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HHg20NTi20
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A20B20CD
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[
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| 4
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1000177996186764413730714
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| 2025-04-16T18:46:38
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| 0.951975
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1094351473389430453086259
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OPd32Zn32
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OPd32Zn32
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A32B32C
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:10:37
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6623754465411263647036187
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[
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C2H3O2Ru64Si32
|
C2H3O2Ru64Si32
|
A64B32C3D2E2
|
[
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| 5
| 0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000139924585643535701033
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| 2025-04-16T20:26:39
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.15055
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6542533348026788386093448
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CH2OOs36Si36
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CH2OOs36Si36
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A36B36C2DE
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000161353052960494220617
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8643753020012770940434982
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Ga32N2Ni32
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Ga16NNi16
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A16B16C
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1000176010903884007351513
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| 2025-04-17T18:37:27
|
DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3431569721089613736676818
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A24B12C2DE
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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CH3Cu18OPd36Sn18
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CCu18H3OPd36Sn18
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A36B18C18D3EF
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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C2H3O2Rh64Sb32
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C2H3O2Rh64Sb32
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A64B32C3D2E2
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1278962715592498156300405
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CH4Ga18OY30
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CGa18H4OY30
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A30B18C4DE
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000371425285927373300147
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| 2025-04-16T21:13:40
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DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7477898110841238163304269
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DS_armtbsouma25_0
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CH2Ga56V48
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CGa56H2V48
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A56B48C2D
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000343348273562285616758
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4177370187777145201964865
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NNb24Si48
|
NNb24Si48
|
A48B24C
|
[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1000332914011690126354891
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| 2025-04-16T16:26:36
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -0.705253
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3826564397865159902504567
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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C2H2Cd32Na16O2Pt16
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CCd16HNa8OPt8
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A16B8C8DEF
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000324906792460359647963
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1284687940683684969668242
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C2H4Al12O2Sc36
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Al6CH2OSc18
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A18B6C2DE
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1000304084042945054179947
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| 2025-04-16T17:48:31
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DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6430083271417095342198596
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HIn28Pt12
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HIn28Pt12
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A28B12C
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PO_1000472522859624934546249
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4061607550105383535709060
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C2H3Co12Ga12OY12
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C2Co12Ga12H3OY12
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A12B12C12D3E2F
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[
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PO_1000485603903593828478232
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| 2025-04-16T17:27:48
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
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CO_3628923529991380805292666
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C2H5ORh18Se48
|
C2H5ORh18Se48
|
A48B18C5D2E
|
[
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| 5
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1000446507681220243839570
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| 2025-04-16T21:22:14
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.96685
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9960456414687960836828322
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A32B18C
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DS_armtbsouma25_0
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A24B12CD
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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DS_armtbsouma25_0
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VASP
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DS_armtbsouma25_0
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Cu16NNi32Sn16
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Cu16NNi32Sn16
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A32B16C16D
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-17T18:48:22
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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CH3Ca32N48OV16
|
CCa32H3N48OV16
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A48B32C16D3EF
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T21:37:22
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DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.308122
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6536438543206734467991689
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C2H62O2Ti48
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CH31OTi24
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A31B24CD
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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C2H2Al16Mo48
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Al8CHMo24
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A24B8CD
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6642275534723795087099109
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A24B24C12D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T15:43:08
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DS_armtbsouma25_0
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VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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C2H2Al96Ir32O
|
Al96C2H2Ir32O
|
A96B32C2D2E
|
[
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77,
77,
77,
77,
77,
6,
6,
1,
1,
8
] | 133
| 5
| 0
|
[
0,
0,
0
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[
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"ocp_all_36198"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1000675453430041447953300
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| 2025-04-16T19:57:50
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.243158
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1210420510052789388968264
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[
true,
true,
true
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Cl12OY12
|
Cl12OY12
|
A12B12C
|
[
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"O",
"Y"
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[
0.48,
0.04,
0.48
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39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
8
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| 3
| 0
|
[
0,
0,
0
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[
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"ocp_all_31241"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1000622701654049580688662
|
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| 2025-04-16T17:30:38
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.797008
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2922883885542946289685885
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[
true,
true,
true
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C2H5O2Pt36Ru36
|
C2H5O2Pt36Ru36
|
A36B36C5D2E2
|
[
"C",
"H",
"O",
"Pt",
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[
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78,
78,
6,
6,
1,
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1,
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8,
8
] | 81
| 5
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1000645467364172325689324
|
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| 2025-04-16T18:59:11
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.493767
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2810754707083436219547382
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C2H6N2OS36Sn18
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C2H6N2OS36Sn18
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A36B18C6D2E2F
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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| 2025-04-16T18:52:09
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
| -0.773374
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5082262599135940962964197
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Ge36H2OSb12Ti80
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A80B36C12D2E
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DS_armtbsouma25_0
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VASP
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A32B32C2D
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DS_armtbsouma25_0
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C2H4Au12O2Pd24Tl12
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Au6CH2OPd12Tl6
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A12B6C6D2EF
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PO_1000625375950513603080259
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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CH3Co32Hf12OSi14
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CCo32H3Hf12OSi14
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A32B14C12D3EF
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PO_1000689241185779439819610
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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CO_2023271098553969909135161
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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