Research/Sitter/MAGNDATA / 0.256_[C(ND2)3]Mn(DCOO)3.mcif

[C(ND₂)₃]Mn(DCOO)₃

MAGNDATA entry 0.256 · 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 ≤ 8.7 K (−264 °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 52.310
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 8.5211 · b 11.9779 · c 9.0593 Å · α 90° · β 90° · γ 90°
Transition	8.73 K (−264 °C)
Measured at	1.5 K
Magnetic ions	Mn
Largest moment component	5.04 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)
Mn1	Mn	0.2519	0.25	0.25	0	5.04	0	5.04
O1	O	0.2569	0.4075	0.3715
O2	O	0.4043	0.1795	0.4163
O3	O	0.5574	0.1913	0.6123
C1	C	0.25	0	0.1892
H1	H	0.25	0	0.2918
C2	C	0.5198	0.2165	0.4849
H2	H	0.5833	0.2677	0.4359
C3	C	0.25	0	0.74
N1	N	0.3361	0.4272	0.6878
H3	H	0.3363	0.4271	0.5928
H4	H	0.3923	0.3797	0.7354
N2	N	0.25	0	0.594
H5	H	0.1937	0.5476	0.9534
H6	H	0.3063	0.4524	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

⬇ 0.256_[C(ND2)3]Mn(DCOO)3.mcif from MAGNDATA · entry page

sha256 of this copy: 969755fdb072fed9c029cc2f132e224ca736d8fdd6dad1b328fa20335a73ed29
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.256_[C(ND2)3]Mn(DCOO)3.mcif.