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  1. Third-Parties
  2. MatprojStructure
  3. mp-29809

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-29809
  • 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: 40
  • Number of elements: 3
  • Element list: ['Ca', 'Ge', 'N']
  • Chemical System: Ca-Ge-N
  • Density: 3.755028451757961
  • Atomic Density: 0.06253355716601568
  • Unit Cell Volume: 639.656559018496
  • Molar Volume: 9.630254591166576
  • Full Formula: Ca16 Ge8 N16
  • Reduced Formula: Ca2GeN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -240.4559848
  • Final energy per atom: -6.011399620000001
  • 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.