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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228440

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-1228440
  • 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: 25
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Ca', 'Ti', 'O']
  • Chemical System: Ba-Ca-O-Sr-Ti
  • Density: 5.135902164124976
  • Atomic Density: 0.07977197356395471
  • Unit Cell Volume: 313.393274393005
  • Molar Volume: 7.549193646527919
  • Full Formula: Ba2 Sr2 Ca1 Ti5 O15
  • Reduced Formula: Ba2Sr2CaTi5O15
  • Formula Anonymous: AB2C2D5E15
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -210.58116338
  • Final energy per atom: -8.4232465352
  • 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.