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  1. Third-Parties
  2. MatprojStructure
  3. mp-774928

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-774928
  • 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: 88
  • Number of elements: 5
  • Element list: ['Mn', 'P', 'H', 'N', 'O']
  • Chemical System: H-Mn-N-O-P
  • Density: 2.6325040733878593
  • Atomic Density: 0.09883612748627149
  • Unit Cell Volume: 890.3626865816182
  • Molar Volume: 6.093056165961667
  • Full Formula: Mn8 P8 H28 N4 O40
  • Reduced Formula: Mn2P2H7NO10
  • Formula Anonymous: AB2C2D7E10
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -601.3275309
  • Final energy per atom: -6.83326739659091
  • 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.