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  1. Third-Parties
  2. MatprojStructure
  3. mp-17092

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-17092
  • 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: 3
  • Element list: ['Sc', 'Sn', 'Pd']
  • Chemical System: Pd-Sc-Sn
  • Density: 7.535038906235992
  • Atomic Density: 0.05040292320886874
  • Unit Cell Volume: 357.1221439956637
  • Molar Volume: 11.947998998082642
  • Full Formula: Sc6 Sn6 Pd6
  • Reduced Formula: ScSnPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -108.45522305
  • Final energy per atom: -6.025290169444444
  • 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.