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  1. Third-Parties
  2. MatprojStructure
  3. mp-864942

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-864942
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Mg', 'Tc', 'H']
  • Chemical System: H-Mg-Tc
  • Density: 2.763826347138056
  • Atomic Density: 0.10287411792924003
  • Unit Cell Volume: 213.85359547026468
  • Molar Volume: 5.853892972518329
  • Full Formula: Mg6 Tc2 H14
  • Reduced Formula: Mg3TcH7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -86.40440735
  • Final energy per atom: -3.9274730613636364
  • 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.