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  1. Third-Parties
  2. MatprojStructure
  3. mp-24509

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-24509
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Cd', 'H', 'Br', 'O']
  • Chemical System: Br-Cd-H-O
  • Density: 3.477084681112348
  • Atomic Density: 0.07769834010710154
  • Unit Cell Volume: 772.2172689570245
  • Molar Volume: 7.750668484936634
  • Full Formula: Cd4 H16 Br8 O32
  • Reduced Formula: CdH4(BrO4)2
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -280.98496107
  • Final energy per atom: -4.6830826844999995
  • 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.