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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215597

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-1215597
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Se', 'S']
  • Chemical System: S-Se-Zr
  • Density: 4.429951755928294
  • Atomic Density: 0.04139918962828604
  • Unit Cell Volume: 193.24049750321663
  • Molar Volume: 14.54651845620999
  • Full Formula: Zr2 Se3 S3
  • Reduced Formula: Zr2(SeS)3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -51.69901841
  • Final energy per atom: -6.46237730125
  • 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.