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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199268

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-1199268
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Na', 'Cr', 'H', 'O']
  • Chemical System: Cr-H-Na-O
  • Density: 2.2560338506438473
  • Atomic Density: 0.07750539655461872
  • Unit Cell Volume: 877.3582617834852
  • Molar Volume: 7.769963160895702
  • Full Formula: Na8 Cr8 H16 O36
  • Reduced Formula: Na2Cr2H4O9
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -431.76140156
  • Final energy per atom: -6.349432375882353
  • 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.