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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173529

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-1173529
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['Nd', 'Te', 'Mo', 'H', 'O']
  • Chemical System: H-Mo-Nd-O-Te
  • Density: 3.100941586734156
  • Atomic Density: 0.09782815389929618
  • Unit Cell Volume: 919.9805619622093
  • Molar Volume: 6.155836045111474
  • Full Formula: Nd2 Te1 Mo6 H38 O43
  • Reduced Formula: Nd2TeMo6H38O43
  • Formula Anonymous: AB2C6D38E43
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -564.13066153
  • Final energy per atom: -6.268118461444445
  • 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.