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  1. Third-Parties
  2. MatprojStructure
  3. mp-555484

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-555484
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['V', 'S', 'Br', 'N']
  • Chemical System: Br-N-S-V
  • Density: 2.836739317929759
  • Atomic Density: 0.043125945196277944
  • Unit Cell Volume: 371.0063611865116
  • Molar Volume: 13.964078312003585
  • Full Formula: V2 S4 Br4 N6
  • Reduced Formula: VS2Br2N3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -97.90656948
  • Final energy per atom: -6.1191605925
  • 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.