Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-683903

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-683903
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'As', 'Se']
  • Chemical System: As-Cs-Nb-Se
  • Density: 4.361703743998877
  • Atomic Density: 0.02922332231459607
  • Unit Cell Volume: 1163.4542997535273
  • Molar Volume: 20.60731047336169
  • Full Formula: Cs6 Nb4 As2 Se22
  • Reduced Formula: Cs3Nb2AsSe11
  • Formula Anonymous: AB2C3D11
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -168.03760374
  • Final energy per atom: -4.942282462941177
  • 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.