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  1. Third-Parties
  2. MatprojStructure
  3. mp-559032

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-559032
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Gd', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Gd-Mo-O
  • Density: 4.541805743875453
  • Atomic Density: 0.05429316832081326
  • Unit Cell Volume: 257.8593298750831
  • Molar Volume: 11.091894148478739
  • Full Formula: Gd2 Mo2 Cl2 O8
  • Reduced Formula: GdMoClO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -130.50371804
  • Final energy per atom: -9.321694145714286
  • 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.