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  1. Third-Parties
  2. MatprojStructure
  3. mp-758660

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-758660
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Mg', 'P', 'H', 'O']
  • Chemical System: H-Mg-O-P
  • Density: 1.5486521410838388
  • Atomic Density: 0.10308196841357482
  • Unit Cell Volume: 562.6590265263309
  • Molar Volume: 5.842089409700238
  • Full Formula: Mg2 P4 H32 O20
  • Reduced Formula: MgP2(H8O5)2
  • Formula Anonymous: AB2C10D16
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -314.18180014
  • Final energy per atom: -5.416927588620689
  • 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.