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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204626

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-1204626
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Na', 'U', 'H', 'C', 'O']
  • Chemical System: C-H-Na-O-U
  • Density: 3.434939553674379
  • Atomic Density: 0.07050861592982924
  • Unit Cell Volume: 1531.727698462873
  • Molar Volume: 8.540999820494681
  • Full Formula: Na4 U8 H20 C16 O60
  • Reduced Formula: NaU2H5C4O15
  • Formula Anonymous: AB2C4D5E15
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -836.216773
  • Final energy per atom: -7.742747898148148
  • 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.