Simmate

Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Due to limited resources, our website only includes a small number of features compared to the many available in the command-line and python. We highly recommend installing Simmate for local use, rather than just relying on the website.

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-703528
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 4
Element list: ['Rb', 'P', 'H', 'O']
Chemical System: H-O-P-Rb
Density: 2.7421939156318103
Atomic Density: 0.07240743835122812
Unit Cell Volume: 441.94354514762693
Molar Volume: 8.317019490163826
Full Formula: Rb4 P4 H8 O16
Reduced Formula: RbP(HO2)2
Formula Anonymous: ABC2D4
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -201.70682854
Final energy per atom: -6.303338391875
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.