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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215390

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-1215390
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Br', 'O']
  • Chemical System: Br-O-Zr
  • Density: 5.249027719885068
  • Atomic Density: 0.04061225186898063
  • Unit Cell Volume: 221.60800216237553
  • Molar Volume: 14.828384250713443
  • Full Formula: Zr4 Br4 O1
  • Reduced Formula: Zr4Br4O
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -61.51966902
  • Final energy per atom: -6.83551878
  • 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.