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  1. Third-Parties
  2. MatprojStructure
  3. mp-1344591

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-1344591
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Ba', 'Mn', 'Tl', 'O']
  • Chemical System: Ba-Mn-O-Tl
  • Density: 6.429767422557811
  • Atomic Density: 0.06528839869491257
  • Unit Cell Volume: 260.38316668539585
  • Molar Volume: 9.223906360670567
  • Full Formula: Ba2 Mn3 Tl2 O10
  • Reduced Formula: Ba2Mn3Tl2O10
  • Formula Anonymous: A2B2C3D10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -117.14455479
  • Final energy per atom: -6.890856164117647
  • 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.