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  1. Third-Parties
  2. MatprojStructure
  3. mp-570566

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-570566
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Rb', 'Ta', 'Tl', 'As']
  • Chemical System: As-Rb-Ta-Tl
  • Density: 4.97049221758877
  • Atomic Density: 0.0272791954545935
  • Unit Cell Volume: 1759.5826856366234
  • Molar Volume: 22.075947107838704
  • Full Formula: Rb20 Ta4 Tl8 As16
  • Reduced Formula: Rb5Ta(TlAs2)2
  • Formula Anonymous: AB2C4D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -181.25485369
  • Final energy per atom: -3.7761427852083336
  • 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.