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  1. Third-Parties
  2. MatprojStructure
  3. mp-1017628

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-1017628
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Mg', 'Be', 'P']
  • Chemical System: Be-Mg-P
  • Density: 2.415443308092115
  • Atomic Density: 0.06974766836232013
  • Unit Cell Volume: 71.68698420177091
  • Molar Volume: 8.634182190459216
  • Full Formula: Mg1 Be2 P2
  • Reduced Formula: Mg(BeP)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -22.26844035
  • Final energy per atom: -4.45368807
  • 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.