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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234467

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-1234467
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 5
  • Element list: ['Mg', 'Tl', 'Pb', 'Br', 'O']
  • Chemical System: Br-Mg-O-Pb-Tl
  • Density: 6.4268662943628865
  • Atomic Density: 0.032771558780749895
  • Unit Cell Volume: 1373.1418850431103
  • Molar Volume: 18.376119367069663
  • Full Formula: Mg1 Tl2 Pb16 Br18 O8
  • Reduced Formula: MgTl2Pb16(Br9O4)2
  • Formula Anonymous: AB2C8D16E18
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -185.94187046
  • Final energy per atom: -4.132041565777778
  • 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.