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  1. Third-Parties
  2. MatprojStructure
  3. mp-754969

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-754969
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Tm', 'Br', 'O']
  • Chemical System: Br-O-Tm
  • Density: 7.071739840135656
  • Atomic Density: 0.04824127443618825
  • Unit Cell Volume: 124.37482363648114
  • Molar Volume: 12.48337824898441
  • Full Formula: Tm2 Br2 O2
  • Reduced Formula: TmBrO
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -42.30118772
  • Final energy per atom: -7.050197953333334
  • 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.