Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-580799

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-580799
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 3
  • Element list: ['Rb', 'Mo', 'Se']
  • Chemical System: Mo-Rb-Se
  • Density: 5.819859780260983
  • Atomic Density: 0.04039260619034321
  • Unit Cell Volume: 2426.1866030181823
  • Molar Volume: 14.909017585103811
  • Full Formula: Rb8 Mo42 Se48
  • Reduced Formula: Rb4(Mo7Se8)3
  • Formula Anonymous: A4B21C24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -716.8235766199999
  • Final energy per atom: -7.314526292040815
  • 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.