Research/Sitter/MAGNDATA / 0.257_[C(ND2)3]Co(DCOO)3.mcif

[C(ND₂)₃]Co(DCOO)₃

MAGNDATA entry 0.257 · 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 ¹m²m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 14 K (−259 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n′ n a′ BNS 52.312
Parent space group	P n n a No. 52
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.3343 · b 11.753 · c 8.9111 Å · α 90° · β 90° · γ 90°
Transition	14.04 K (−259 °C)
Measured at	1.5 K
Magnetic ions	Co
Largest moment component	2.97 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′ n a′ →

Atom sites · 15 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Co1	Co	0.2537	0.25	0.25	0	0	2.97	2.97
O1	O	0.2567	0.4057	0.3655
O2	O	0.4069	0.1827	0.4133
O3	O	0.5646	0.1923	0.6119
C1	C	0.25	0	0.197
H1	H	0.25	0	0.3014
C2	C	0.5234	0.2223	0.4835
H2	H	0.5841	0.2783	0.4366
C3	C	0.25	0	0.7432
N1	N	0.3404	0.427	0.6835
H3	H	0.3407	0.4267	0.587
H4	H	0.3992	0.3795	0.7322
N2	N	0.25	0	0.5948
H5	H	0.3089	0.4524	0.9534
H6	H	0.1911	0.5476	0.9534

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

M. Viswanathan et al. J. Phys. Chem. C (2019) · doi:10.1021/acs.jpcc.9b04368

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.257_[C(ND2)3]Co(DCOO)3.mcif from MAGNDATA · entry page

sha256 of this copy: d299e1af81133a7a0d9e05afb3eb7202f45ad24fd19968bdf331544f00868990
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.257_[C(ND2)3]Co(DCOO)3.mcif.