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  1. Third-Parties
  2. MatprojStructure
  3. mp-31304

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-31304
  • 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: 52
  • Number of elements: 3
  • Element list: ['Zr', 'Te', 'Cl']
  • Chemical System: Cl-Te-Zr
  • Density: 4.151583364335338
  • Atomic Density: 0.0303885637284036
  • Unit Cell Volume: 1711.1700462301417
  • Molar Volume: 19.817128620564656
  • Full Formula: Zr4 Te24 Cl24
  • Reduced Formula: Zr(TeCl)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -210.04409488
  • Final energy per atom: -4.039309516923077
  • 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.