CyrilPKU/CrystalREPA-Models
Updated
values listlengths 27.1k 27.1k | property_source_doc_id stringclasses 5
values | origins null |
|---|---|---|
[
0.2132999999999998,
0,
0,
3.8556,
0.4706999999999999,
0,
4.3134000000000015,
0,
1.4017999999999995,
0,
0.5664000000000002,
0,
1.2566,
2.5515,
1.4011000000000002,
0,
0,
2.6838,
0,
0,
0,
0,
0,
3.0526,
0.0452000000000012,
0,
4.7378,
1.3135000000000003,
0,
0,
... | dft_band_gap | null |
[null,null,null,null,null,null,null,null,null,null,null,null,null,108.12542602248058,null,null,null,(...TRUNCATED) | dft_bulk_modulus | null |
[0.0706880405969312,2.025358151715389e-9,0.040483465357563,1.194041473887817e-6,0.0060115208778336,7(...TRUNCATED) | dft_mag_density | null |
[0.0430011104166663,0.0,0.0180746750000002,0.0488470295535705,0.0,0.0,0.0093678168518511,0.033273451(...TRUNCATED) | e_above_hull | null |
[-1.637460082715517,-0.3147590238461542,-0.1937609628160919,-0.5846935397395834,-2.4747592889285706,(...TRUNCATED) | formation_energy_per_atom | null |