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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101633

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-1101633
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 2
  • Element list: ['Yb', 'S']
  • Chemical System: S-Yb
  • Density: 6.4837430425748055
  • Atomic Density: 0.04750733324878791
  • Unit Cell Volume: 947.2221849275894
  • Molar Volume: 12.67623406361932
  • Full Formula: Yb16 S29
  • Reduced Formula: Yb16S29
  • Formula Anonymous: A16B29
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -215.68745644
  • Final energy per atom: -4.793054587555556
  • 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.