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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227332

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-1227332
  • 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: 4
  • Element list: ['Bi', 'Br', 'Cl', 'O']
  • Chemical System: Bi-Br-Cl-O
  • Density: 7.675541676800163
  • Atomic Density: 0.04905908554913557
  • Unit Cell Volume: 122.30150506965006
  • Molar Volume: 12.275281311488104
  • Full Formula: Bi2 Br1 Cl1 O2
  • Reduced Formula: Bi2BrClO2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -30.85770983
  • Final energy per atom: -5.142951638333334
  • 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.