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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210838

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-1210838
  • 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: 28
  • Number of elements: 5
  • Element list: ['Mg', 'P', 'H', 'N', 'O']
  • Chemical System: H-Mg-N-O-P
  • Density: 1.294083410883825
  • Atomic Density: 0.07024017431922526
  • Unit Cell Volume: 398.6322680912851
  • Molar Volume: 8.573641535442054
  • Full Formula: Mg2 P2 H12 N2 O10
  • Reduced Formula: MgPH6NO5
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -157.5561819
  • Final energy per atom: -5.627006496428572
  • 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.