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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222199

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-1222199
  • 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: 78
  • Number of elements: 3
  • Element list: ['Na', 'Zn', 'Sn']
  • Chemical System: Na-Sn-Zn
  • Density: 3.680899414424966
  • Atomic Density: 0.037769995335849585
  • Unit Cell Volume: 2065.1313114133723
  • Molar Volume: 15.944245442582977
  • Full Formula: Na40 Zn16 Sn22
  • Reduced Formula: Na20Zn8Sn11
  • Formula Anonymous: A8B11C20
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -174.91695427
  • Final energy per atom: -2.2425250547435898
  • 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.