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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224731

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-1224731
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Gd', 'S', 'O', 'F']
  • Chemical System: F-Gd-O-S
  • Density: 6.927097363405428
  • Atomic Density: 0.06477203911188126
  • Unit Cell Volume: 586.672899618959
  • Molar Volume: 9.297438898901898
  • Full Formula: Gd12 S6 O4 F16
  • Reduced Formula: Gd6S3(OF4)2
  • Formula Anonymous: A2B3C6D8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -385.6403727
  • Final energy per atom: -10.148430860526316
  • 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.