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  1. Third-Parties
  2. MatprojStructure
  3. mp-704325

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-704325
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 3
  • Element list: ['Gd', 'Mo', 'O']
  • Chemical System: Gd-Mo-O
  • Density: 4.713632434151614
  • Atomic Density: 0.06225883310782204
  • Unit Cell Volume: 2441.420637241322
  • Molar Volume: 9.672749165681669
  • Full Formula: Gd16 Mo28 O108
  • Reduced Formula: Gd4Mo7O27
  • Formula Anonymous: A4B7C27
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1450.04040709
  • Final energy per atom: -9.539739520328947
  • 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.