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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096000

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-1096000
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Ta', 'Re']
  • Chemical System: Re-Ta-Zr
  • Density: 1.1691841351235106
  • Atomic Density: 0.004369311619736913
  • Unit Cell Volume: 915.4760173047237
  • Molar Volume: 137.82813596533106
  • Full Formula: Zr1 Ta1 Re2
  • Reduced Formula: ZrTaRe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -27.1876937
  • Final energy per atom: -6.796923425
  • 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.