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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214912

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-1214912
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Be', 'Tl', 'Cu', 'O', 'F']
  • Chemical System: Be-Cu-F-O-Tl
  • Density: 4.176000551927413
  • Atomic Density: 0.06471725243871913
  • Unit Cell Volume: 587.1695501285728
  • Molar Volume: 9.305309686474057
  • Full Formula: Be4 Tl4 Cu2 O12 F16
  • Reduced Formula: Be2Tl2Cu(O3F4)2
  • Formula Anonymous: AB2C2D6E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -188.26449316
  • Final energy per atom: -4.954328767368421
  • 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.