Research/Sitter/MAGNDATA / 0.389_Fe1.5Mn1.5BO5.mcif

Fe_1.5Mn_1.5BO₅

MAGNDATA entry 0.389 · source

d-wave altermagnet

No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).

Spin group ²m²m¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 100 K (−173 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P b a m BNS 55.353
Parent space group	P b a m No. 55
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.5457 · b 12.4885 · c 3.1037 Å · α 90° · β 90° · γ 90°
Transition	100 K (−173 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	2.7 μ_B
Method	NPD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in P b a m →

Atom sites · 14 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0	0	0	0	1.7	1.7
Fe2	Fe	0.5	0	0.5	0	0	2.7	2.7
Fe3	Fe	0.0004	0.2761	0	0	0	2.5	2.5
Fe4	Fe	0.7389	0.3851	0.5	0	0	2.7	2.7
Mn1	Mn	0	0	0
Mn2	Mn	0.5	0	0.5
Mn3	Mn	0.0004	0.2761	0
Mn4	Mn	0.7389	0.3851	0.5
B1	B	0.27	0.362	0.5
O1	O	0.844	0.044	0.5
O2	O	0.386	0.075	0
O3	O	0.625	0.139	0.5
O4	O	0.112	0.142	0
O5	O	0.841	0.236	0.5

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

F. Damay et al. PHYSICAL REVIEW B (2020) · doi:10.1103/PhysRevB.101.094418

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.389_Fe1.5Mn1.5BO5.mcif from MAGNDATA · entry page

sha256 of this copy: 05f1870f2e66765590a3eb1f4e6e1fdc946578f7036d101af5b1d3f769dabc28
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.389_Fe1.5Mn1.5BO5.mcif.