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  1. Third-Parties
  2. MatprojStructure
  3. mp-685956

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-685956
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['In', 'As', 'Se']
  • Chemical System: As-In-Se
  • Density: 5.053796082324808
  • Atomic Density: 0.03191066740055959
  • Unit Cell Volume: 250.69986470604843
  • Molar Volume: 18.871873422159744
  • Full Formula: In4 As3 Se1
  • Reduced Formula: In4As3Se
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -30.85822753
  • Final energy per atom: -3.85727844125
  • 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.