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  1. Third-Parties
  2. MatprojStructure
  3. mp-583084

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-583084
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Rb', 'Er', 'P', 'S']
  • Chemical System: Er-P-Rb-S
  • Density: 3.29787331152756
  • Atomic Density: 0.0370124702207275
  • Unit Cell Volume: 2809.8637940074195
  • Molar Volume: 16.27057238840416
  • Full Formula: Rb12 Er12 P16 S64
  • Reduced Formula: Rb3Er3(PS4)4
  • Formula Anonymous: A3B3C4D16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -560.84128088
  • Final energy per atom: -5.392704623846154
  • 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.