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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217952

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-1217952
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Ta', 'Co', 'Pt', 'Se']
  • Chemical System: Co-Pt-Se-Ta
  • Density: 7.710476639148519
  • Atomic Density: 0.042520451312654896
  • Unit Cell Volume: 1175.9047342265403
  • Molar Volume: 14.162927659725229
  • Full Formula: Ta12 Co3 Pt3 Se32
  • Reduced Formula: Ta12Co3Pt3Se32
  • Formula Anonymous: A3B3C12D32
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -344.80906961
  • Final energy per atom: -6.8961813922
  • 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.