Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1076337

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-1076337
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Ti', 'Mn', 'O']
  • Chemical System: Ba-Mn-O-Sr-Ti
  • Density: 5.277148115986375
  • Atomic Density: 0.08074289144209136
  • Unit Cell Volume: 495.3996480134467
  • Molar Volume: 7.458416031978577
  • Full Formula: Ba2 Sr6 Ti7 Mn1 O24
  • Reduced Formula: Ba2Sr6Ti7MnO24
  • Formula Anonymous: AB2C6D7E24
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -333.00246452
  • Final energy per atom: -8.325061612999999
  • 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.