Published June 14, 2018
| Version 1.0
Dataset
Open
Supplementary data for "Heterometallic perovskite-type metal-organic framework with an ammonium cation: structure, phonons, and optical response"
Description
Optimised structures of [NH4][Na0.5M0.5(COOH)3] (M = Al, Cr)
Phonon output for [NH4][Na0.5Cr0.5(COOH)3]
Gif of the T’(NH4+) mode (no. 23). The c-axis is the vertical direction.
For further information please see the associated publication.
Notes
The authors acknowledge computing support from the UK national supercomputing service (Archer), via membership of the UK Materials Chemistry Consortium which is funded by EPSRC (EP/L000202).
Files
Mode23.gif
Files
(851.9 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:4fbf9d3b632e88fba17776aad76e827a
|
272.2 kB | Download |
|
md5:a21d3663f2334096869c4ac6f8a3ea7a
|
9.1 kB | Download |
|
md5:b782a2225fa07f215a7b33b00c367624
|
13.2 kB | Download |
|
md5:906a93b67edfcfe6b1ecfa7ae14a7341
|
2.5 kB | Download |
|
md5:61b0001154e5e8327bb72194d88208e5
|
518.3 kB | Preview Download |
|
md5:2a845e654140275c9e639b56c56f87b4
|
12.2 kB | Download |
|
md5:1af15ed729cae83d58e9bf99da909cd7
|
12.2 kB | Download |
|
md5:fa89519fb006810dc19cd69314a24362
|
12.2 kB | Download |
