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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046475

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-1046475
  • 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: 19
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Tl', 'Fe', 'O']
  • Chemical System: Ba-Ca-Fe-O-Tl
  • Density: 6.233473631935148
  • Atomic Density: 0.06536839855981455
  • Unit Cell Volume: 290.6603254570216
  • Molar Volume: 9.212617859208397
  • Full Formula: Ba2 Ca2 Tl2 Fe3 O10
  • Reduced Formula: Ba2Ca2Tl2Fe3O10
  • Formula Anonymous: A2B2C2D3E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -126.84484839000002
  • Final energy per atom: -6.676044652105264
  • 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.