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  1. Third-Parties
  2. MatprojStructure
  3. mp-557512

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-557512
  • 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: 72
  • Number of elements: 5
  • Element list: ['La', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-La-N-O
  • Density: 2.650979109605645
  • Atomic Density: 0.08629965247569746
  • Unit Cell Volume: 834.3023168056866
  • Molar Volume: 6.978174983608275
  • Full Formula: La4 H16 C16 N4 O32
  • Reduced Formula: LaH4C4NO8
  • Formula Anonymous: ABC4D4E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -535.28377952
  • Final energy per atom: -7.434496937777778
  • 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.