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  1. Third-Parties
  2. MatprojStructure
  3. mp-558979

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-558979
  • 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: 16
  • Number of elements: 4
  • Element list: ['V', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-S-V
  • Density: 2.2265560036272074
  • Atomic Density: 0.04704833267893996
  • Unit Cell Volume: 340.0758132957602
  • Molar Volume: 12.799902604615923
  • Full Formula: V2 S4 N6 Cl4
  • Reduced Formula: VS2N3Cl2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -100.74864549
  • Final energy per atom: -6.296790343125
  • 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.