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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208180

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-1208180
  • 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: 20
  • Number of elements: 3
  • Element list: ['Y', 'As', 'O']
  • Chemical System: As-O-Y
  • Density: 2.2333886791244137
  • Atomic Density: 0.02483820462863445
  • Unit Cell Volume: 805.2111776606922
  • Molar Volume: 24.245475266990283
  • Full Formula: Y4 As8 O8
  • Reduced Formula: Y(AsO)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -131.26649192
  • Final energy per atom: -6.563324595999999
  • 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.