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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213405

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-1213405
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cu', 'Br', 'N', 'O']
  • Chemical System: Br-Cu-N-O
  • Density: 2.8280898898533913
  • Atomic Density: 0.034586940900585054
  • Unit Cell Volume: 520.4276391988029
  • Molar Volume: 17.41160277027603
  • Full Formula: Cu2 Br8 N4 O4
  • Reduced Formula: CuBr4(NO)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -58.215867630000005
  • Final energy per atom: -3.234214868333334
  • 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.