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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209460

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-1209460
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Rb', 'Mo', 'O', 'F']
  • Chemical System: F-Mo-O-Rb
  • Density: 3.9452794714408475
  • Atomic Density: 0.057041744721755085
  • Unit Cell Volume: 315.5583702392434
  • Molar Volume: 10.557427353205103
  • Full Formula: Rb4 Mo2 O4 F8
  • Reduced Formula: Rb2Mo(OF2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -109.17086511
  • Final energy per atom: -6.065048061666666
  • 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.