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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214702

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-1214702
  • 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: 38
  • Number of elements: 5
  • Element list: ['Be', 'Tl', 'Zn', 'O', 'F']
  • Chemical System: Be-F-O-Tl-Zn
  • Density: 4.750806785818616
  • Atomic Density: 0.07343995792302123
  • Unit Cell Volume: 517.4294903577027
  • Molar Volume: 8.200087432392495
  • Full Formula: Be4 Tl4 Zn2 O12 F16
  • Reduced Formula: Be2Tl2Zn(O3F4)2
  • Formula Anonymous: AB2C2D6E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -184.43687947
  • Final energy per atom: -4.85360209131579
  • 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.