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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220583

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-1220583
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Nb', 'V', 'S']
  • Chemical System: Nb-S-V
  • Density: 3.7091874737051973
  • Atomic Density: 0.04969131958720598
  • Unit Cell Volume: 563.4786967341707
  • Molar Volume: 12.119100096409031
  • Full Formula: Nb5 V3 S20
  • Reduced Formula: Nb5V3S20
  • Formula Anonymous: A3B5C20
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -193.60102225
  • Final energy per atom: -6.914322223214286
  • 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.