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  1. Third-Parties
  2. MatprojStructure
  3. mp-5036

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-5036
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Er', 'P', 'S']
  • Chemical System: Er-P-S
  • Density: 3.9491814712838496
  • Atomic Density: 0.04370545901732542
  • Unit Cell Volume: 1098.26097424059
  • Molar Volume: 13.778921204357433
  • Full Formula: Er8 P8 S32
  • Reduced Formula: ErPS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -276.83563073
  • Final energy per atom: -5.7674089735416665
  • 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.