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  1. Third-Parties
  2. MatprojStructure
  3. mp-6076

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-6076
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'B', 'O']
  • Chemical System: B-Ca-La-O
  • Density: 3.419335068896059
  • Atomic Density: 0.07539002884686642
  • Unit Cell Volume: 238.7583646713005
  • Molar Volume: 7.987980442655461
  • Full Formula: Ca4 La1 B3 O10
  • Reduced Formula: Ca4LaB3O10
  • Formula Anonymous: AB3C4D10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -143.30124494
  • Final energy per atom: -7.961180274444445
  • 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.