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  1. Third-Parties
  2. MatprojStructure
  3. mp-720340

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-720340
  • 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: 80
  • Number of elements: 6
  • Element list: ['Ca', 'Ti', 'Nb', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-Nb-O-Si-Ti
  • Density: 3.5084691603577216
  • Atomic Density: 0.08415284548601745
  • Unit Cell Volume: 950.6511578778703
  • Molar Volume: 7.1561938579968984
  • Full Formula: Ca10 Ti6 Nb2 Al2 Si10 O50
  • Reduced Formula: Ca5Ti3NbAl(SiO5)5
  • Formula Anonymous: ABC3D5E5F25
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -671.2102818000001
  • Final energy per atom: -8.390128522500001
  • 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.