Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-573969

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-573969
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cs', 'Ce', 'Si', 'Se']
  • Chemical System: Ce-Cs-Se-Si
  • Density: 4.4669284243586
  • Atomic Density: 0.030521797966500515
  • Unit Cell Volume: 917.37714897175
  • Molar Volume: 19.73062257541203
  • Full Formula: Cs4 Ce4 Si4 Se16
  • Reduced Formula: CsCeSiSe4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -147.29452988
  • Final energy per atom: -5.260518924285714
  • 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.