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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210699

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-1210699
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Mn', 'Be', 'Tl', 'F']
  • Chemical System: Be-F-Mn-Tl
  • Density: 4.550806583595696
  • Atomic Density: 0.06730428206790721
  • Unit Cell Volume: 1129.2000696674718
  • Molar Volume: 8.947633902288581
  • Full Formula: Mn8 Be12 Tl8 F48
  • Reduced Formula: Mn2Be3Tl2F12
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -462.5893614
  • Final energy per atom: -6.08670212368421
  • 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.