Research/Sitter/MAGNDATA / 1.231_NiPS3.mcif

NiPS₃

MAGNDATA entry 1.231 · source

p-wave magnet

Coplanar spins, no net moment, and a translation that reverses every spin: spin splitting that is odd in momentum (p-wave).

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

Structure · 10 properties

Magnetic group	P_S 1 BNS 1.3
Parent space group	C 2/m No. 12
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[0 1 0] 1k
Cell	a 5.811 · b 10.064 · c 6.594 Å · α 90° · β 106.997° · γ 90°
Transition	155 K (−118 °C)
Measured at	2 K
Magnetic ions	Ni
Largest moment component	1 μ_B
Method	NPD, NSD, polarized and unpolarized

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_S 1 →

Atom sites · 15 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1_1	Ni	0	0.3333	0	0.94	0	−0.26	1.046
Ni1_2	Ni	0	0.6666	0	−0.94	0	0.26	1.046
Ni2	Ni	0	0	0	1	0.5	0	1.118
P1_1	P	0.0588	0	0.17
P1_2	P	0.4412	0.5	0.83
P2_1	P	0.0588	0.3335	0.17
P2_2	P	0.4412	0.1665	0.83
P2_3	P	0.0588	0.6665	0.17
P2_4	P	0.4412	0.8335	0.83
S1_1	S	0.2427	0.5	0.2442
S1_2	S	0.2573	0	0.7558
S2_1	S	0.2492	0.3307	0.7567
S2_2	S	0.2508	0.1693	0.2433
S2_3	S	0.2492	0.6693	0.7567
S2_4	S	0.2508	0.8307	0.2433

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

A.R. Wildes et al. Phys. Rev. B (2015) · doi:10.1103/PhysRevB.92.224408

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.231_NiPS3.mcif from MAGNDATA · entry page

sha256 of this copy: aa6335243cbd62996ec03f93ea49831efcac2e006ae244e7f1ffa22bcd1937e9
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.231_NiPS3.mcif.