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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216363

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-1216363
  • 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: 8
  • Number of elements: 4
  • Element list: ['V', 'Cu', 'Se', 'S']
  • Chemical System: Cu-S-Se-V
  • Density: 4.601246404340043
  • Atomic Density: 0.04781292567095989
  • Unit Cell Volume: 167.31877181192775
  • Molar Volume: 12.595214945521864
  • Full Formula: V1 Cu3 Se2 S2
  • Reduced Formula: VCu3(SeS)2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -42.97503875
  • Final energy per atom: -5.37187984375
  • 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.