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  1. Third-Parties
  2. MatprojStructure
  3. mp-720486

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-720486
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 5
  • Element list: ['V', 'Cu', 'Sn', 'As', 'S']
  • Chemical System: As-Cu-S-Sn-V
  • Density: 4.488267530850302
  • Atomic Density: 0.05377660177601348
  • Unit Cell Volume: 2454.5991312317783
  • Molar Volume: 11.198440513372335
  • Full Formula: V4 Cu52 Sn4 As8 S64
  • Reduced Formula: VCu13Sn(AsS8)2
  • Formula Anonymous: ABC2D13E16
  • Spacegroup Number: 17
  • Spacegroup Symbol: P222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -642.13072701
  • Final energy per atom: -4.864626719772727
  • 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.