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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198721

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-1198721
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Rb', 'Mo', 'Se', 'O']
  • Chemical System: Mo-O-Rb-Se
  • Density: 4.147331325194375
  • Atomic Density: 0.06160880626995132
  • Unit Cell Volume: 584.3320489324009
  • Molar Volume: 9.774805136805904
  • Full Formula: Rb4 Mo6 Se2 O24
  • Reduced Formula: Rb2Mo3SeO12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -265.19189662
  • Final energy per atom: -7.366441572777778
  • 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.