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  1. Third-Parties
  2. MatprojStructure
  3. mp-728669

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-728669
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['Li', 'Mo', 'H', 'N', 'O']
  • Chemical System: H-Li-Mo-N-O
  • Density: 2.0660677791746553
  • Atomic Density: 0.0858365472268548
  • Unit Cell Volume: 1304.8055125516478
  • Molar Volume: 7.015823625901759
  • Full Formula: Li8 Mo8 H48 N8 O40
  • Reduced Formula: LiMoH6NO5
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -676.69571476
  • Final energy per atom: -6.041926024642857
  • 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.