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  1. Third-Parties
  2. MatprojStructure
  3. mp-34913

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-34913
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Nd', 'Er', 'S']
  • Chemical System: Er-Nd-S
  • Density: 6.097623940167646
  • Atomic Density: 0.04489916458122777
  • Unit Cell Volume: 311.8098105071061
  • Molar Volume: 13.412589780162284
  • Full Formula: Nd5 Er1 S8
  • Reduced Formula: Nd5ErS8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -93.4904329
  • Final energy per atom: -6.677888064285715
  • 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.