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  1. Third-Parties
  2. MatprojStructure
  3. mp-643658

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-643658
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'P', 'H', 'O']
  • Chemical System: H-Mg-Na-O-P
  • Density: 2.799600021139154
  • Atomic Density: 0.08897662279116761
  • Unit Cell Volume: 168.58360690094653
  • Molar Volume: 6.768228070573382
  • Full Formula: Na3 Mg1 P2 H1 O8
  • Reduced Formula: Na3MgP2HO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -98.51463753
  • Final energy per atom: -6.567642502
  • 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.