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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120787

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-1120787
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Te', 'Se']
  • Chemical System: Se-Te-Zr
  • Density: 6.405081463971213
  • Atomic Density: 0.03885934318361424
  • Unit Cell Volume: 154.40302147283876
  • Molar Volume: 15.49727881797896
  • Full Formula: Zr2 Te2 Se2
  • Reduced Formula: ZrTeSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -36.17016192
  • Final energy per atom: -6.02836032
  • 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.