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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216515

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-1216515
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['V', 'Cu', 'Sn', 'As', 'S']
  • Chemical System: As-Cu-S-Sn-V
  • Density: 4.4938871501501465
  • Atomic Density: 0.05384393377597635
  • Unit Cell Volume: 1225.764823844415
  • Molar Volume: 11.184436830072231
  • Full Formula: V2 Cu26 Sn2 As4 S32
  • Reduced Formula: VCu13Sn(AsS8)2
  • Formula Anonymous: ABC2D13E16
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -321.07697083
  • Final energy per atom: -4.864802588333333
  • 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.