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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197258

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-1197258
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Rb', 'Tl', 'Br', 'O']
  • Chemical System: Br-O-Rb-Tl
  • Density: 3.688507391424527
  • Atomic Density: 0.025823074099764486
  • Unit Cell Volume: 3020.55439637651
  • Molar Volume: 23.320774036174583
  • Full Formula: Rb21 Tl7 Br42 O8
  • Reduced Formula: Rb21Tl7(Br21O4)2
  • Formula Anonymous: A7B8C21D42
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -220.09595121
  • Final energy per atom: -2.8217429642307694
  • 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.