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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202578

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-1202578
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 186
  • Number of elements: 3
  • Element list: ['Nd', 'Mo', 'O']
  • Chemical System: Mo-Nd-O
  • Density: 6.838567352032538
  • Atomic Density: 0.07339166954082448
  • Unit Cell Volume: 2534.347578733532
  • Molar Volume: 8.205482717149737
  • Full Formula: Nd32 Mo42 O112
  • Reduced Formula: Nd16(Mo3O8)7
  • Formula Anonymous: A16B21C56
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1631.6214539200002
  • Final energy per atom: -8.772158354408603
  • 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.