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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198730

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-1198730
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Mo', 'Br', 'N', 'O']
  • Chemical System: Br-Mo-N-O
  • Density: 3.097741029810939
  • Atomic Density: 0.031122105272770102
  • Unit Cell Volume: 1156.73408609339
  • Molar Volume: 19.350043023178756
  • Full Formula: Mo4 Br20 N8 O4
  • Reduced Formula: MoBr5N2O
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -143.52166823
  • Final energy per atom: -3.9867130063888885
  • 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.