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  1. Third-Parties
  2. MatprojStructure
  3. mp-554935

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-554935
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 3
  • Element list: ['Pr', 'Sb', 'S']
  • Chemical System: Pr-S-Sb
  • Density: 4.909333371343123
  • Atomic Density: 0.03991440208248063
  • Unit Cell Volume: 2505.361342839515
  • Molar Volume: 15.08763866124218
  • Full Formula: Pr32 Sb8 S60
  • Reduced Formula: Pr8Sb2S15
  • Formula Anonymous: A2B8C15
  • Spacegroup Number: 110
  • Spacegroup Symbol: I4_1cd
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -634.0476729899999
  • Final energy per atom: -6.340476729899999
  • 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.