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  1. Third-Parties
  2. MatprojStructure
  3. mp-13287

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-13287
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Te', 'F']
  • Chemical System: Ba-Cu-F-Te
  • Density: 6.12027107271242
  • Atomic Density: 0.0424289694778168
  • Unit Cell Volume: 188.5504196415294
  • Molar Volume: 14.193464592979485
  • Full Formula: Ba2 Cu2 Te2 F2
  • Reduced Formula: BaCuTeF
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -39.19862391
  • Final energy per atom: -4.89982798875
  • 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.