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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216428

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-1216428
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['V', 'Cu', 'Sn', 'As', 'S']
  • Chemical System: As-Cu-S-Sn-V
  • Density: 4.425496786145548
  • Atomic Density: 0.05346611358654019
  • Unit Cell Volume: 598.5099318693669
  • Molar Volume: 11.26347204992293
  • Full Formula: V1 Cu12 Sn1 As2 S16
  • Reduced Formula: VCu12Sn(AsS8)2
  • Formula Anonymous: ABC2D12E16
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -155.33592522
  • Final energy per atom: -4.854247663125
  • 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.