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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215573

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-1215573
  • 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: 7
  • Number of elements: 3
  • Element list: ['Zr', 'Co', 'S']
  • Chemical System: Co-S-Zr
  • Density: 4.5170838255648595
  • Atomic Density: 0.051514172391337584
  • Unit Cell Volume: 135.88493564107208
  • Molar Volume: 11.690260137058242
  • Full Formula: Zr2 Co1 S4
  • Reduced Formula: Zr2CoS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -51.78700128
  • Final energy per atom: -7.39814304
  • 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.