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  1. Third-Parties
  2. MatprojStructure
  3. mp-1024048

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-1024048
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Na', 'Zn', 'Se']
  • Chemical System: Na-Se-Zn
  • Density: 4.0444129524989485
  • Atomic Density: 0.04279330120924872
  • Unit Cell Volume: 1121.6708840781364
  • Molar Volume: 14.07262489648371
  • Full Formula: Na16 Zn12 Se20
  • Reduced Formula: Na4Zn3Se5
  • Formula Anonymous: A3B4C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -158.81118032
  • Final energy per atom: -3.308566256666667
  • 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.