Research/Sitter/MAGNDATA / 0.99_YBaMn2O5.5.mcif

YBaMn₂O_5.5

MAGNDATA entry 0.99 · 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 ≤ 155 K (−118 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C 2/m BNS 12.58
Point group	2/m
Parent space group	I c a m No. 72
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.1612 · b 7.5464 · c 15.2794 Å · α 90° · β 90° · γ 90°
Transition	155 K (−118 °C)
Measured at	133 K
Magnetic ions	Mn
Largest moment component	2.4 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 C 2/m →

Atom sites · 15 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Y1_1	Y	0.2729	0	0.0047
Y1_2	Y	0.2271	0	0.5047
Ba1_1	Ba	0.2535	0	0.2531
Ba1_2	Ba	0.2465	0	0.7531
Mn1	Mn	0	0.75	0.8856	2.4	0	1.3	2.7295
Mn2	Mn	0	0.75	0.6233	2.4	0	1.3	2.7295
O1_1	O	0.2306	0.2792	0.0984
O1_2	O	0.2694	0.7208	0.5984
O2	O	0	0.75	0.7482
O3_1	O	0.0343	0	0.0932
O3_2	O	0.4657	0	0.5932
O4_1	O	0.9709	0	0.3844
O4_2	O	0.5291	0	0.8844
O5	O	0.5	0.75	0
O6	O	0	0.75	0

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

C. Perca et al. Chem. Mater. (2005) · doi:10.1021/cm048119k

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.99_YBaMn2O5.5.mcif from MAGNDATA · entry page

sha256 of this copy: 4547899e85e3c4e8f93b30a163d90331dbd961d54c5218aa083e00577dba4063
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.99_YBaMn2O5.5.mcif.