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  1. Third-Parties
  2. MatprojStructure
  3. mp-695389

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-695389
  • 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: 90
  • Number of elements: 5
  • Element list: ['Ba', 'Pr', 'Sn', 'Sb', 'O']
  • Chemical System: Ba-O-Pr-Sb-Sn
  • Density: 6.282775600021336
  • Atomic Density: 0.05987026029631462
  • Unit Cell Volume: 1503.2505212866104
  • Molar Volume: 10.058651374145938
  • Full Formula: Ba18 Pr9 Sn4 Sb5 O54
  • Reduced Formula: Ba18Pr9Sn4Sb5O54
  • Formula Anonymous: A4B5C9D18E54
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -642.0997060799999
  • Final energy per atom: -7.134441178666666
  • 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.