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  1. Third-Parties
  2. MatprojStructure
  3. mp-721617

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-721617
  • 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: 50
  • Number of elements: 5
  • Element list: ['K', 'Mg', 'P', 'H', 'O']
  • Chemical System: H-K-Mg-O-P
  • Density: 1.8455230266621805
  • Atomic Density: 0.10427207581644256
  • Unit Cell Volume: 479.51476565996927
  • Molar Volume: 5.775410830605498
  • Full Formula: K2 Mg2 P2 H24 O20
  • Reduced Formula: KMgP(H6O5)2
  • Formula Anonymous: ABCD10E12
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -283.45164642000003
  • Final energy per atom: -5.669032928400001
  • 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.