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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019518

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-1019518
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Si', 'B', 'O']
  • Chemical System: B-Ba-Ca-O-Si
  • Density: 3.5116278793432443
  • Atomic Density: 0.07230591139920362
  • Unit Cell Volume: 636.1858817605147
  • Molar Volume: 8.328697672796817
  • Full Formula: Ba4 Ca2 Si8 B4 O28
  • Reduced Formula: Ba2CaSi4(BO7)2
  • Formula Anonymous: AB2C2D4E14
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -372.72087252
  • Final energy per atom: -8.10262766347826
  • 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.