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  1. Third-Parties
  2. MatprojStructure
  3. mp-6394

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-6394
  • 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: 64
  • Number of elements: 4
  • Element list: ['Rb', 'Ti', 'As', 'O']
  • Chemical System: As-O-Rb-Ti
  • Density: 3.832231200817516
  • Atomic Density: 0.06404985536798458
  • Unit Cell Volume: 999.2216162285123
  • Molar Volume: 9.402270661504378
  • Full Formula: Rb8 Ti8 As8 O40
  • Reduced Formula: RbTiAsO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -470.00269467
  • Final energy per atom: -7.34379210421875
  • 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.