Ba3CrN3H
Type: Volume Composition show more
ObjectId: 5423 ExternalId: 4373
Created: 2/1/2023 3:33:21 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: Ba3CrN3H
[no file attached]
: Ba-Cr-H-Nb
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Ba | 3 | 37.5 % | |
| Cr | 1 | 12.5 % | |
| Nb | 3 | 37.5 % | |
| H | 1 | 12.5 % |
Associated Objects
-
Falb N.W.,Neu J.N.,Besara T.,Whalen J.B.,Singh D.J.,Siegrist T. Ba3CrN
Literature ReferenceFalb N.W.,Neu J.N.,Besara T.,Whalen J.B.,Singh D.J.,Siegrist T. Ba3CrN3H: A New Nitride-Hydride with Trigonal Planar Cr4+
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Hexagonal | P63/m | 1.4 | 0 | 1143 | WIEN2k program package. PBE |
| Hexagonal | P63/m | 2.1 | 0 | 1143 | WIEN2k program package. mBJ |