Research/Sitter/MAGNDATA / 0.645_La0.95Ba0.05Mn0.95Ti0.05O3.mcif

Spin lattice of La0.95Ba0.05Mn0.95Ti0.05O3

La_0.95Ba_0.05Mn_0.95Ti_0.05O₃

MAGNDATA entry 0.645 · 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.

Structure · 9 properties

Magnetic group	P n′ m a′ BNS 62.448
Parent space group	P n m a No. 62
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.685 · b 7.695 · c 5.548 Å · α 90° · β 90° · γ 90°
Measured at	4.2 K
Magnetic ions	Mn
Largest moment component	3.6 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 n′ m a′ →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
La1	La	0.541	0.25	0.009
Ba1	Ba	0.541	0.25	0.009
Mn1	Mn	0	0	0	3.6	0	0	3.6
Ti1	Ti	0	0	0
O1	O	0.991	0.25	0.935
O2	O	0.302	0.038	0.229

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

J. B. A. A. Elemans et al. JOURNAL OF SOLID STATE CHEMISTRY (1971) · doi:10.1016/0022-4596(71)90034-X

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.645_La0.95Ba0.05Mn0.95Ti0.05O3.mcif from MAGNDATA · entry page

sha256 of this copy: 7d9eeb2b4ba4be72fea613de12b9a85e1b0210029a3a4685ff801f99e02beccb
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.645_La0.95Ba0.05Mn0.95Ti0.05O3.mcif.