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  1. Third-Parties
  2. MatprojStructure
  3. mp-631390

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-631390
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Sr', 'Zr', 'Zn']
  • Chemical System: Sr-Zn-Zr
  • Density: 4.788845800294944
  • Atomic Density: 0.03542118643039453
  • Unit Cell Volume: 84.69507383371362
  • Molar Volume: 17.001521876840542
  • Full Formula: Sr1 Zr1 Zn1
  • Reduced Formula: SrZrZn
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -8.8541221
  • Final energy per atom: -2.9513740333333334
  • 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.