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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228675

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-1228675
  • 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: 31
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'O']
  • Chemical System: Ba-O-P
  • Density: 2.960195848363322
  • Atomic Density: 0.058183003138160536
  • Unit Cell Volume: 532.8016487287161
  • Molar Volume: 10.350343631627108
  • Full Formula: Ba3 P6 O22
  • Reduced Formula: Ba3(P3O11)2
  • Formula Anonymous: A3B6C22
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -218.0649034
  • Final energy per atom: -7.034351722580645
  • 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.