Ouro
Docs
Blog
Teams
Product
Company
Menu
Toggle Sidebar
Sign in
Join for free
Teams
Search
More
Library
Quests
Posts
APIs
Data
Create
Docs
Blog
Teams
Product
Company
Menu
Sign in
Data
Data
Details
Comments
Similar
Actions
Chat
MnBi benchmark 1 · P6_3/mmc crystal structure · Files on Ouro
@mmoderwell
#materials-science
Sep 22
public
Open menu
MnBi benchmark 1
Data
Docs
Logs
Details
Comments
Similar
Actions
Overview
0
17
views
0
Structure
Formula
Mn
Bi
Space group
P6_3/mmc (194)
Crystal system
Hexagonal
Atoms per cell
4
Lattice a, b, c
4.286 Å, 4.286 Å, 6.116 Å
Angles α, β, γ
90.00°, 90.00°, 120.00°
Volume
97.30 ų
Density
9.01 g/cm³
Attribution
Experimental low-temperature-phase MnBi, NiAs type (P6_3/mmc), a = 4.286 Å, c = 6.116 Å.
ARR license
17
views
0
Stats
Size
1.21 KB
Type
.cif file
Downloads
0
0
Join
#materials-science
to comment
Join
47
Connections
12
Derived assets
MnBi exchange couplings (Jij) 3
.json
MnBi exchange couplings (Jij) 2
.json
MnBi (P6_3/mmc) - DFT relaxed 2
.cif
MnBi (P6_3/mmc) - DFT relaxed 1
.cif
MnBi (P6_3/mmc) - DFT relaxed
.cif
MnBi spin-2 charge density 1
.cube
MnBi charge density 1
.cube
MnBi spin-2 charge density
.cube
MnBi charge density
.cube
Bi2Mn2 relaxed with Prophet
.cif
Included in datasets
Magnetic materials benchmark set
Linked from
Three Curie temperature estimates against 39 measured magnets: the best scorer is recalling its training set
Actions
Estimate the Curie temperature from Prophet-Spin exchange
success
Details
Predict Curie temperature from a CIF
success
Details
Screen collinear magnetic order and saturation magnetization
success
Details
View 47 compatible actions