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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234499

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-1234499
  • 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: 45
  • Number of elements: 5
  • Element list: ['Mg', 'Tl', 'Pb', 'Br', 'O']
  • Chemical System: Br-Mg-O-Pb-Tl
  • Density: 6.366752857905909
  • Atomic Density: 0.03246503131835494
  • Unit Cell Volume: 1386.106779282794
  • Molar Volume: 18.54962251829164
  • Full Formula: Mg1 Tl2 Pb16 Br18 O8
  • Reduced Formula: MgTl2Pb16(Br9O4)2
  • Formula Anonymous: AB2C8D16E18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -185.66884032
  • Final energy per atom: -4.125974229333333
  • 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.