Research/Sitter/MAGNDATA / 0.261_NiFePO5.mcif

NiFePO₅

MAGNDATA entry 0.261 · 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 ²m¹m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 178 K (−95 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n m a BNS 62.441
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 7.1882 · b 6.3924 · c 7.4847 Å · α 90° · β 90° · γ 90°
Transition	178 K (−95 °C)
Measured at	1.5 K
Magnetic ions	Fe, Ni
Largest moment component	4.09 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 · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0	0	0	2.03	0	2.03
Fe1	Fe	0.1443	0.25	0.7074	0	4.09	0	4.09
P1	P	0.3719	0.25	0.1424
O1	O	0.3988	0.25	0.6459
O2	O	0.1942	0.25	0.0252
O3	O	0.0436	0.25	0.4729
O4	O	0.3678	0.0566	0.2633

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

N.E. Khayati et al. 93582 (2001) · doi:10.1007/s100510170093

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.261_NiFePO5.mcif from MAGNDATA · entry page

sha256 of this copy: a4ba23aec37ead85fb341aee76bb6aee052a358250d7893b595e8945f36af831
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.261_NiFePO5.mcif.