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  1. Third-Parties
  2. MatprojStructure
  3. mp-722050

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-722050
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['C', 'Br', 'N', 'O']
  • Chemical System: Br-C-N-O
  • Density: 2.010381378000358
  • Atomic Density: 0.04519773034642625
  • Unit Cell Volume: 221.25004780888722
  • Molar Volume: 13.323989310618485
  • Full Formula: C4 Br2 N2 O2
  • Reduced Formula: C2BrNO
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -12.02487455
  • Final energy per atom: -1.202487455
  • 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.