Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-641804

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-641804
  • 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: 3
  • Element list: ['Yb', 'Ce', 'Se']
  • Chemical System: Ce-Se-Yb
  • Density: 6.825480602277116
  • Atomic Density: 0.036201844677949485
  • Unit Cell Volume: 1022.0473660707315
  • Molar Volume: 16.634900275311335
  • Full Formula: Yb11 Ce4 Se22
  • Reduced Formula: Yb11(Ce2Se11)2
  • Formula Anonymous: A4B11C22
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -184.69082637
  • Final energy per atom: -4.991643955945946
  • 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.