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  1. Third-Parties
  2. MatprojStructure
  3. mp-10838

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-10838
  • 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: 20
  • Number of elements: 4
  • Element list: ['Na', 'Yb', 'P', 'S']
  • Chemical System: Na-P-S-Yb
  • Density: 2.9162887165479097
  • Atomic Density: 0.03899550748016169
  • Unit Cell Volume: 512.8795928652721
  • Molar Volume: 15.443165505830802
  • Full Formula: Na2 Yb2 P4 S12
  • Reduced Formula: NaYb(PS3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -98.88804609000002
  • Final energy per atom: -4.9444023045000005
  • 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.