Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-555696

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-555696
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'Si', 'O']
  • Chemical System: Cs-Nb-O-Si
  • Density: 3.6877466677531383
  • Atomic Density: 0.0627202352713494
  • Unit Cell Volume: 589.9212565119569
  • Molar Volume: 9.601591470354247
  • Full Formula: Cs4 Nb2 Si8 O23
  • Reduced Formula: Cs4Nb2Si8O23
  • Formula Anonymous: A2B4C8D23
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -295.62236409
  • Final energy per atom: -7.989793624054054
  • 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.