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Data repository Fe3S4
- .DS_Store 10.2 kB
- AFM
  - 3D_AFM_Fe3S4.jpg 89.0 kB
  - AFM_Fe3S4.jpg 111.8 kB
  - Profile1_Fe3S4.prf 6.0 kB
  - Profile2_Fe3S4.prf 15.6 kB
- Electron microscopy Fe3S4 -180C
  - EDX_mapping_Fe3S4-180C.pdf 1.5 MB
  - EDX_spectrum__Fe3S4-180C.txt 32.6 kB
  - HRTEM__Fe3S4-180C.tif 4.2 MB
  - SAED__Fe3S4-180C.tif 4.2 MB
  - SEM_1__Fe3S4-180C.tif 4.9 MB
  - SEM_2__Fe3S4-180C.tif 4.9 MB
  - TEM_1_Fe3S4-180C.tif 4.2 MB
  - TEM_2__Fe3S4-180C.tif 4.2 MB
  - TEM_3__Fe3S4-180C.tif 4.2 MB
- Electron microscopy FexSy -140C
  - SEM_1_FexSy_140C.tif 4.9 MB
  - SEM_2_FexSy_140C.tif 4.9 MB
  - SEM_3_FexSy_140C.tif 4.9 MB
  - STEM_FexSy_140C.tif 4.9 MB
- Electron microscopy FexSy- 160C
  - SEM_1_FexSy_160C.tif 4.9 MB
  - SEM_2_FexSy_160C.tif 4.9 MB
  - SEM_3_FexSy_160C.tif 4.9 MB
  - STEM_FexSy_160C.tif 4.9 MB
- FEFF
  - .DS_Store 6.1 kB
  - vtc
    - .DS_Store 6.1 kB
    - fe3o4
      - .DS_Store 8.2 kB
      - vtc_octa
      - vtc_tetra
    - fe3s4
      - .DS_Store 6.1 kB
      - nonlocal
  - xas
    - FEFF_greigite.txt 40.9 kB
    - FEFF_mackinawite.txt 40.9 kB
- Magnetic measurements
  - Fe3S4_300K.xlsx 44.1 kB
  - Fe3S4_5K.xlsx 60.6 kB
  - Fe3S4_FC.xlsx 25.7 kB
  - Fe3S4_ZFC.xlsx 27.9 kB
- ORCA
  - .DS_Store 6.1 kB
  - vtc
    - .DS_Store 6.1 kB
    - FeS42
    - FeS52
    - FeS62
    - Feacac2
    - Feacac2BA
    - Feacac2BA1
    - Feacac2BMCP2
    - Feacac2H2S
    - Feacac2thio
    - Feacac3
  - xas
    - FeS42
      - FeS42.inp 1.1 kB
      - FeS42.out 506.0 kB
      - FeS42.out.absq.stk 15.8 kB
      - FeS42.xyz 950 Bytes
    - FeS52
      - FeS52.cis 482.1 kB
      - FeS52.densities 721.1 kB
      - FeS52.gbw 1.6 MB
      - FeS52.inp 1.3 kB
      - FeS52.out 650.9 kB
      - FeS52.out.absq.dat 700.1 kB
      - FeS52.out.absq.stk 19.0 kB
      - FeS52.xyz 1.2 kB
      - FeS52_XES.gbw 1.6 MB
      - FeS52_property.txt 59.8 kB
    - FeS62
      - FeS62.cis 652.1 kB
      - FeS62.densities 975.5 kB
      - FeS62.gbw 1.9 MB
      - FeS62.inp 1.5 kB
      - FeS62.out 809.6 kB
      - FeS62.out.absq.dat 700.1 kB
      - FeS62.out.absq.stk 22.1 kB
      - FeS62.xyz 1.4 kB
      - FeS62_XES.gbw 1.9 MB
      - FeS62_property.txt 69.0 kB
    - Feacac2
      - Feacac2.cis 1.3 MB
      - Feacac2.densities 3.1 MB
      - Feacac2.gbw 4.3 MB
      - Feacac2.inp 2.6 kB
      - Feacac2.out 2.2 MB
      - Feacac2.out.absq.dat 700.1 kB
      - Feacac2.out.absq.stk 23.4 kB
      - Feacac2.xyz 2.4 kB
      - Feacac2_XES.gbw 4.3 MB
      - Feacac2_property.txt 76.5 kB
    - Feacac2BA
      - Feacac2BA.cis 2.6 MB
      - Feacac2BA.densities 11.9 MB
      - Feacac2BA.gbw 13.6 MB
      - Feacac2BA.inp 4.6 kB
      - Feacac2BA.out 6.2 MB
      - Feacac2BA.out.absq.dat 700.1 kB
      - Feacac2BA.out.absq.stk 23.4 kB
      - Feacac2BA.xyz 4.5 kB
      - Feacac2BA_XES.gbw 13.6 MB
      - Feacac2BA_property.txt 83.8 kB
    - Feacac2BA1
      - Feacac2BA1.cis 2.0 MB
      - Feacac2BA1.densities 6.9 MB
      - Feacac2BA1.gbw 8.3 MB
      - Feacac2BA1.inp 3.7 kB
      - Feacac2BA1.out 4.1 MB
      - Feacac2BA1.out.absq.dat 700.1 kB
      - Feacac2BA1.out.absq.stk 23.4 kB
      - Feacac2BA1.xyz 3.5 kB
      - Feacac2BA1_XES.gbw 8.3 MB
      - Feacac2BA1_property.txt 80.4 kB
    - Feacac2BMCP2
      - Feacac2BMCP2.cis 2.7 MB
      - Feacac2BMCP2.densities 12.3 MB
      - Feacac2BMCP2.gbw 14.0 MB
      - Feacac2BMCP2.inp 4.8 kB
      - Feacac2BMCP2.out 6.4 MB
      - Feacac2BMCP2.out.absq.dat 700.1 kB
      - Feacac2BMCP2.out.absq.stk 23.4 kB
      - Feacac2BMCP2.xyz 4.6 kB
      - Feacac2BMCP2_XES.gbw 14.0 MB
      - Feacac2BMCP2_property.txt 84.2 kB
    - Feacac2H2S
    - Feacac2thio
      - Feacac2thio.cis 1.7 MB
      - Feacac2thio.densities 4.9 MB
      - Feacac2thio.gbw 6.3 MB
      - Feacac2thio.inp 3.2 kB
      - Feacac2thio.out 3.0 MB
      - Feacac2thio.out.absq.dat 700.1 kB
      - Feacac2thio.out.absq.stk 23.4 kB
      - Feacac2thio.xyz 3.0 kB
      - Feacac2thio_XES.gbw 6.3 MB
      - Feacac2thio_property.txt 78.7 kB
    - Feacac3
      - Feacac3.cis 2.0 MB
      - Feacac3.densities 6.6 MB
      - Feacac3.gbw 8.0 MB
      - Feacac3.inp 3.7 kB
      - Feacac3.out 3.9 MB
      - Feacac3.out.absq.dat 700.1 kB
      - Feacac3.out.absq.stk 23.4 kB
      - Feacac3.xyz 3.6 kB
      - Feacac3_XES.gbw 8.0 MB
      - Feacac3_property.txt 80.8 kB
- PXRD
  - .DS_Store 8.2 kB
  - 140
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    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01507_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01567_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01627_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01687_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01747_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01807_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01867_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01927_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-01987_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02047_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02107_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02167_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02227_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02287_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02347_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02407_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02467_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02527_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02587_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02647_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02707_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02767_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02827_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02887_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-02947_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03007_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03067_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03127_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03187_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03247_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03307_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03367_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03427_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03487_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03547_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03607_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03667_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03727_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03787_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03847_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03907_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-03967_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04027_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04087_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04147_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04207_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04267_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04327_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04387_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04447_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04507_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04567_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04627_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04687_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04747_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04807_avg_60_bkgsub.dat 150.5 kB
    - cell13_fe3s4_in_bnoh_0p3_180c_60min-04867_avg_60_bkgsub.dat 150.5 kB
- RIXS
  - Cell21_Fe3S4_post_RIXS_Ka_0006.h5 49.3 MB
  - Cell22_Feacac3_BnOH_TAA_RIXS_Ka_0004.h5 89.1 MB
- TGA
  - TGA_Fe3S4_180C.xlsx 2.2 MB
- XAS
  - .DS_Store 6.1 kB
  - ex situ
    - Feacac_pallet_norm.dat 30.8 kB
  - in situ
    - Cell18_Fe3S4_insitu_HERFD.h5 878.7 MB
- code
  - dataprocessing_XAS.py 10.7 kB
  - dataprocessing_vtc.py 7.7 kB
- vtc-XES
  - .DS_Store 6.1 kB
  - Fe3O4
    - Cell19_Fe3o4_insitu_VTC.h5 119.2 MB
  - Fe3S4
    - Cell17_Fe3S4_insitu_VTC.h5 108.4 MB
__MACOSX
- Data repository Fe3S4
  - ._.DS_Store 120 Bytes
  - FEFF
    - ._.DS_Store 120 Bytes
    - vtc
      - ._.DS_Store 120 Bytes
      - fe3o4
        
        ._.DS_Store 120 Bytes
      - fe3s4
        
        ._.DS_Store 120 Bytes
    - xas
      - ._FEFF_mackinawite.txt 176 Bytes
  - ORCA
    - ._.DS_Store 120 Bytes
    - vtc
      - ._.DS_Store 120 Bytes
  - PXRD
    - ._.DS_Store 120 Bytes
    - 160
      - ._.DS_Store 120 Bytes
    - 180
      - ._cell13_fe3s4_in_bnoh_0p3_180c_60min-00367_avg_60_bkgsub.dat 176 Bytes
  - XAS
    - ._.DS_Store 120 Bytes
  - code
    - ._dataprocessing_XAS.py 163 Bytes
    - ._dataprocessing_vtc.py 219 Bytes
  - vtc-XES
    - ._.DS_Store 120 Bytes