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P₃Ca₆

Structure

If the GUI button does not open remotely, use the 3D view above or download the structure.

Unit cell

Axis	x	y	z	Periodic
1	4.846	0.000	0.000	True
2	0.000	4.846	0.000	True
3	0.000	0.000	10.411	True

Lengths:	4.846	4.846	10.411
Angles:	90.000	90.000	90.000

Interactive Convex Hull

Automatically generated for Ca-P using the curated electride and Materials Project reference phases.

Binary

Generating convex hull for Ca-P…

Hover for phase details, drag to zoom, and double-click to reset the view.

Properties

Key	Description	Value
N_excess	N_excess	1.000
band0	band0	16.812
full_dft_e_hull	full_dft_e_hull	0.076
composition	composition	Ca2P1
e10	e10	44.212
space_group_number	space_group_number	123
chemsys	chemsys	Ca-P
electride	electride	True
volume	Volume of unit cell	244.516 Å³
e0025	e0025	19.034
mattersim_e_hull	mattersim_e_hull	-0.137
band1	band1	42.820
pearson_symbol	pearson_symbol	tP9
e05	e05	41.568
natoms	Number of atoms	9
band_gap	band_gap	0.000
dft_e_hull	dft_e_hull	-0.103
formula	Chemical formula	Ca6P3