Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-15223

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-15223
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'Cu', 'Se']
  • Chemical System: Cs-Cu-Nb-Se
  • Density: 4.31104592618986
  • Atomic Density: 0.028138853701506022
  • Unit Cell Volume: 568.608805807312
  • Molar Volume: 21.40151416216962
  • Full Formula: Cs4 Nb2 Cu2 Se8
  • Reduced Formula: Cs2NbCuSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -79.49847713999999
  • Final energy per atom: -4.9686548212499995
  • 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.