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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209550

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-1209550
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Rb', 'Li', 'Mo', 'H', 'O']
  • Chemical System: H-Li-Mo-O-Rb
  • Density: 2.932151880491326
  • Atomic Density: 0.055756949291240504
  • Unit Cell Volume: 1147.8389835445048
  • Molar Volume: 10.80069988862552
  • Full Formula: Rb8 Li8 Mo8 H8 O32
  • Reduced Formula: RbLiMoHO4
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -400.13399815
  • Final energy per atom: -6.25209372109375
  • 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.