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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228768

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-1228768
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Nb', 'O']
  • Chemical System: Ba-Nb-O-Sr
  • Density: 4.930318793261357
  • Atomic Density: 0.06863895575532394
  • Unit Cell Volume: 655.6043795364645
  • Molar Volume: 8.773648569869007
  • Full Formula: Ba2 Sr3 Nb10 O30
  • Reduced Formula: Ba2Sr3Nb10O30
  • Formula Anonymous: A2B3C10D30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -402.0402018200001
  • Final energy per atom: -8.934226707111113
  • 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.