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  1. Third-Parties
  2. MatprojStructure
  3. mp-625641

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-625641
  • 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: 56
  • Number of elements: 3
  • Element list: ['H', 'Br', 'O']
  • Chemical System: Br-H-O
  • Density: 1.7828464869694902
  • Atomic Density: 0.09826026558138366
  • Unit Cell Volume: 569.915007543087
  • Molar Volume: 6.128764994037379
  • Full Formula: H36 Br4 O16
  • Reduced Formula: H9BrO4
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -273.50218546
  • Final energy per atom: -4.883967597500001
  • 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.