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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189370

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-1189370
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ce', 'Zn', 'Sn', 'H']
  • Chemical System: Ce-H-Sn-Zn
  • Density: 7.163333665840079
  • Atomic Density: 0.05959341762489656
  • Unit Cell Volume: 302.04678163113226
  • Molar Volume: 10.105379083820337
  • Full Formula: Ce4 Zn4 Sn4 H6
  • Reduced Formula: Ce2Zn2Sn2H3
  • Formula Anonymous: A2B2C2D3
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -73.19233339
  • Final energy per atom: -4.066240743888889
  • 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.