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  1. Third-Parties
  2. MatprojStructure
  3. mp-677016

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-677016
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 83
  • Number of elements: 5
  • Element list: ['Ca', 'Eu', 'P', 'S', 'O']
  • Chemical System: Ca-Eu-O-P-S
  • Density: 3.347960775364747
  • Atomic Density: 0.07400713268208735
  • Unit Cell Volume: 1121.5135216296426
  • Molar Volume: 8.137243724695196
  • Full Formula: Ca18 Eu2 P12 S3 O48
  • Reduced Formula: Ca18Eu2P12(SO16)3
  • Formula Anonymous: A2B3C12D18E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -633.0694613100001
  • Final energy per atom: -7.627342907349399
  • 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.