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  1. Third-Parties
  2. MatprojStructure
  3. mp-534850

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-534850
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Ti', 'Nb', 'Si', 'O']
  • Chemical System: Ca-Na-Nb-O-Si-Ti
  • Density: 3.4443494363447567
  • Atomic Density: 0.08346075579772197
  • Unit Cell Volume: 958.5343343150455
  • Molar Volume: 7.215535855672629
  • Full Formula: Na1 Ca9 Ti9 Nb1 Si10 O50
  • Reduced Formula: NaCa9Ti9Nb(SiO5)10
  • Formula Anonymous: ABC9D9E10F50
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -683.2865398600001
  • Final energy per atom: -8.54108174825
  • 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.