Datasets:
Allanatrix
/
SSB_Dataset

Dataset card Data Studio Files
xet
Community
1
mp_id
stringlengths
4
38
elements
listlengths
1
10
atomic_numbers
listlengths
1
200
num_atoms
int32
1
200
num_elements
int32
1
10
fractional_coords
listlengths
1
200
lattice
dict
spacegroup_number
int32
0
230
reduced_formula
stringlengths
1
24
tier
stringclasses
3 values
is_li_containing
bool
2 classes
num_li_atoms
int32
0
104
⌀
band_gap
float32
0
17.9
⌀
energy_above_hull
float32
0
9.71
⌀
formation_energy_per_atom
float32
-5.15
8.99
⌀
is_metal
bool
2 classes
source_tags
listlengths
1
5
⌀
source
stringclasses
4 values
mp-11407
[ "Ga", "Pt" ]
[ 31, 78, 78, 78 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 3.9098775386810303, "b": 3.9098775386810303, "c": 3.9098775386810303, "alpha": 90, "beta": 90, "gamma": 90 }
221
GaPt3
hard_negative
false
null
0
0.014427
-0.429735
true
[ "metallic" ]
null
mp-11418
[ "Ga", "Tb" ]
[ 65, 31, 31, 31 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 4.255082130432129, "b": 4.255082130432129, "c": 4.255082130432129, "alpha": 90, "beta": 90, "gamma": 90 }
221
TbGa3
hard_negative
false
null
0
0.051656
-0.554751
true
[ "metallic" ]
null
mp-11422
[ "Gd", "Hg" ]
[ 64, 80 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.734113931655884, "b": 3.734113931655884, "c": 3.734113931655884, "alpha": 90, "beta": 90, "gamma": 90 }
221
GdHg
hard_negative
false
null
0
0
-0.53609
true
[ "metallic" ]
null
mp-11447
[ "Te", "U" ]
[ 92, 52 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.752686023712158, "b": 3.752686023712158, "c": 3.752686023712158, "alpha": 90, "beta": 90, "gamma": 90 }
221
UTe
hard_negative
false
null
0
0.096336
-0.874058
true
[ "metallic" ]
null
mp-11452
[ "Hf", "Os" ]
[ 72, 76 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.2434654235839844, "b": 3.2434654235839844, "c": 3.2434654235839844, "alpha": 90, "beta": 90, "gamma": 90 }
221
HfOs
hard_negative
false
null
0
0
-0.845914
true
[ "metallic" ]
null
mp-11455
[ "Hf", "Pt" ]
[ 72, 78 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.329777956008911, "b": 3.329777956008911, "c": 3.329777956008911, "alpha": 90, "beta": 90, "gamma": 90 }
221
HfPt
hard_negative
false
null
0
0.172597
-1.08799
true
[ "metallic" ]
null
mp-11457
[ "Rh", "Hf" ]
[ 72, 45 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.249046802520752, "b": 3.249046802520752, "c": 3.249046802520752, "alpha": 90, "beta": 90, "gamma": 90 }
221
HfRh
hard_negative
false
null
0
0.011649
-0.895069
true
[ "metallic" ]
null
mp-11460
[ "Tc", "Hf" ]
[ 72, 43 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.2473666667938232, "b": 3.2473666667938232, "c": 3.2473666667938232, "alpha": 90, "beta": 90, "gamma": 90 }
221
HfTc
hard_negative
false
null
0
0
-0.528264
true
[ "metallic" ]
null
mp-11467
[ "Nd", "Hg" ]
[ 60, 80 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.8167078495025635, "b": 3.8167078495025635, "c": 3.8167078495025635, "alpha": 90, "beta": 90, "gamma": 90 }
221
NdHg
hard_negative
false
null
0
0
-0.557896
true
[ "metallic" ]
null
mp-11469
[ "Pr", "Hg" ]
[ 59, 80 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.845686674118042, "b": 3.845686674118042, "c": 3.845686674118042, "alpha": 90, "beta": 90, "gamma": 90 }
221
PrHg
hard_negative
false
null
0
0
-0.548089
true
[ "metallic" ]
null
mp-11471
[ "Sc", "Hg" ]
[ 21, 80 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.505592107772827, "b": 3.505592107772827, "c": 3.505592107772827, "alpha": 90, "beta": 90, "gamma": 90 }
221
ScHg
hard_negative
false
null
0
0
-0.481826
true
[ "metallic" ]
null
mp-11473
[ "Hg", "Tl" ]
[ 81, 80 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.844611167907715, "b": 3.844611167907715, "c": 3.844611167907715, "alpha": 90, "beta": 90, "gamma": 90 }
221
TlHg
hard_negative
false
null
0
0.014845
-0.003333
true
[ "metallic" ]
null
mp-11474
[ "Hg", "Tl" ]
[ 81, 80, 80, 80 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 4.805497646331787, "b": 4.805497646331787, "c": 4.805497646331787, "alpha": 90, "beta": 90, "gamma": 90 }
221
TlHg3
hard_negative
false
null
0
0
-0.027267
true
[ "metallic" ]
null
mp-11475
[ "Tm", "Hg" ]
[ 69, 80 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.6443824768066406, "b": 3.6443824768066406, "c": 3.6443824768066406, "alpha": 90, "beta": 90, "gamma": 90 }
221
TmHg
hard_negative
false
null
0
0
-0.565095
true
[ "metallic" ]
null
mp-11476
[ "Ho", "Ir" ]
[ 67, 77 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.3899433612823486, "b": 3.3899433612823486, "c": 3.3899433612823486, "alpha": 90, "beta": 90, "gamma": 90 }
221
HoIr
hard_negative
false
null
0
0
-0.878808
true
[ "metallic" ]
null
mp-11477
[ "Sn", "Ho" ]
[ 67, 50, 50, 50 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.6811370849609375, "b": 4.6811370849609375, "c": 4.6811370849609375, "alpha": 90, "beta": 90, "gamma": 90 }
221
HoSn3
hard_negative
false
null
0
0.027416
-0.403801
true
[ "metallic" ]
null
mp-11478
[ "Ga", "Ag" ]
[ 31, 47 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.3172268867492676, "b": 3.3172268867492676, "c": 3.3172268867492676, "alpha": 90, "beta": 90, "gamma": 90 }
221
GaAg
hard_negative
false
null
0
0.088553
0.07331
true
[ "metallic" ]
null
mp-11483
[ "Tm", "Ir" ]
[ 69, 77 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.3565778732299805, "b": 3.3565778732299805, "c": 3.3565778732299805, "alpha": 90, "beta": 90, "gamma": 90 }
221
TmIr
hard_negative
false
null
0
0
-0.954629
true
[ "metallic" ]
null
mp-11484
[ "Zr", "Ir" ]
[ 40, 77 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.3173298835754395, "b": 3.3173298835754395, "c": 3.3173298835754395, "alpha": 90, "beta": 90, "gamma": 90 }
221
ZrIr
hard_negative
false
null
0
0.081342
-0.927919
true
[ "metallic" ]
null
mp-11487
[ "La", "Pt" ]
[ 57, 78, 78, 78 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 4.214433670043945, "b": 4.214433670043945, "c": 4.214433670043945, "alpha": 90, "beta": 90, "gamma": 90 }
221
LaPt3
hard_negative
false
null
0
0.141291
-0.902146
true
[ "metallic" ]
null
mp-11488
[ "La", "Tl" ]
[ 57, 81 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.9723780155181885, "b": 3.9723780155181885, "c": 3.9723780155181885, "alpha": 90, "beta": 90, "gamma": 90 }
221
LaTl
hard_negative
false
null
0
0
-0.417936
true
[ "metallic" ]
null
mp-11494
[ "Lu", "Pb" ]
[ 71, 82, 82, 82 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 4.825942039489746, "b": 4.825942039489746, "c": 4.825942039489746, "alpha": 90, "beta": 90, "gamma": 90 }
221
LuPb3
hard_negative
false
null
0
0.022627
-0.177052
true
[ "metallic" ]
null
mp-11495
[ "Ru", "Lu" ]
[ 71, 44 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.305988073348999, "b": 3.305988073348999, "c": 3.305988073348999, "alpha": 90, "beta": 90, "gamma": 90 }
221
LuRu
hard_negative
false
null
0
0
-0.468461
true
[ "metallic" ]
null
mp-11496
[ "Zn", "Lu" ]
[ 71, 30 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.4557883739471436, "b": 3.4557883739471436, "c": 3.4557883739471436, "alpha": 90, "beta": 90, "gamma": 90 }
221
LuZn
hard_negative
false
null
0
0
-0.408413
true
[ "metallic" ]
null
mp-11498
[ "Mg", "Tl" ]
[ 12, 81 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.6378026008605957, "b": 3.6378026008605957, "c": 3.6378026008605957, "alpha": 90, "beta": 90, "gamma": 90 }
221
MgTl
hard_negative
false
null
0
0
-0.016989
true
[ "metallic" ]
null
mp-1150
[ "Rh", "U" ]
[ 92, 45, 45, 45 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 3.9967195987701416, "b": 3.9967195987701416, "c": 3.9967195987701416, "alpha": 90, "beta": 90, "gamma": 90 }
221
URh3
hard_negative
false
null
0
0
-0.710677
true
[ "metallic" ]
null
mp-11500
[ "Mn", "Ni" ]
[ 25, 28 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 2.9152493476867676, "b": 2.9152493476867676, "c": 2.9152493476867676, "alpha": 90, "beta": 90, "gamma": 90 }
221
MnNi
hard_negative
false
null
0
0
-0.362537
true
[ "metallic" ]
null
mp-11501
[ "Mn", "Ni" ]
[ 25, 28, 28, 28 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 3.5434670448303223, "b": 3.5434670448303223, "c": 3.5434670448303223, "alpha": 90, "beta": 90, "gamma": 90 }
221
MnNi3
hard_negative
false
null
0
0
-0.236135
true
[ "metallic" ]
null
mp-11503
[ "Mn", "Zn" ]
[ 25, 30 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 2.999169111251831, "b": 2.999169111251831, "c": 2.999169111251831, "alpha": 90, "beta": 90, "gamma": 90 }
221
MnZn
hard_negative
false
null
0
0.083201
0.005057
true
[ "metallic" ]
null
mp-11504
[ "Mn", "Zn" ]
[ 25, 30, 30, 30 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 3.808884620666504, "b": 3.808884620666504, "c": 3.808884620666504, "alpha": 90, "beta": 90, "gamma": 90 }
221
MnZn3
hard_negative
false
null
0
0
-0.117216
true
[ "metallic" ]
null
mp-11516
[ "Nb", "Ru" ]
[ 41, 44 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.186487913131714, "b": 3.186487913131714, "c": 3.186487913131714, "alpha": 90, "beta": 90, "gamma": 90 }
221
NbRu
hard_negative
false
null
0
0.024435
-0.20917
true
[ "metallic" ]
null
mp-11517
[ "Nb", "Ru" ]
[ 41, 44, 44, 44 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 3.885111093521118, "b": 3.885111093521118, "c": 3.885111093521118, "alpha": 90, "beta": 90, "gamma": 90 }
221
NbRu3
hard_negative
false
null
0
0.038549
-0.125454
true
[ "metallic" ]
null
mp-1152
[ "Ti", "Rh" ]
[ 22, 45, 45, 45 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]
{ "a": 3.825970411300659, "b": 3.825970411300659, "c": 3.825970411300659, "alpha": 90, "beta": 90, "gamma": 90 }
221
TiRh3
hard_negative
false
null
0
0
-0.617957
true
[ "metallic" ]
null
mp-11521
[ "Sc", "Ni" ]
[ 21, 28 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.1525158882141113, "b": 3.1525158882141113, "c": 3.1525158882141113, "alpha": 90, "beta": 90, "gamma": 90 }
221
ScNi
hard_negative
false
null
0
0
-0.507177
true
[ "metallic" ]
null
mp-11522
[ "Ni", "Sn" ]
[ 28, 28, 28, 50 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.6895647048950195, "b": 3.6895647048950195, "c": 3.6895647048950195, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ni3Sn
hard_negative
false
null
0
0
-0.185864
true
[ "metallic" ]
null
mp-11536
[ "Rh", "Np" ]
[ 93, 45, 45, 45 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.013341903686523, "b": 4.013341903686523, "c": 4.013341903686523, "alpha": 90, "beta": 90, "gamma": 90 }
221
NpRh3
hard_negative
false
null
0
0
-0.563146
true
[ "metallic" ]
null
mp-11541
[ "Zr", "Os" ]
[ 40, 76 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.2764854431152344, "b": 3.2764854431152344, "c": 3.2764854431152344, "alpha": 90, "beta": 90, "gamma": 90 }
221
ZrOs
hard_negative
false
null
0
0
-0.667104
true
[ "metallic" ]
null
mp-11546
[ "Ti", "Pd" ]
[ 22, 46 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.175800085067749, "b": 3.175800085067749, "c": 3.175800085067749, "alpha": 90, "beta": 90, "gamma": 90 }
221
TiPd
hard_negative
false
null
0
0.07339
-0.480635
true
[ "metallic" ]
null
mp-11552
[ "Ti", "Pt" ]
[ 22, 78 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.179305076599121, "b": 3.179305076599121, "c": 3.179305076599121, "alpha": 90, "beta": 90, "gamma": 90 }
221
TiPt
hard_negative
false
null
0
0.135687
-0.868009
true
[ "metallic" ]
null
mp-11554
[ "Zr", "Pt" ]
[ 40, 78 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.3601109981536865, "b": 3.3601109981536865, "c": 3.3601109981536865, "alpha": 90, "beta": 90, "gamma": 90 }
221
ZrPt
hard_negative
false
null
0
0.174156
-1.057383
true
[ "metallic" ]
null
mp-11555
[ "Ru", "Pu" ]
[ 94, 44 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.2719759941101074, "b": 3.2719759941101074, "c": 3.2719759941101074, "alpha": 90, "beta": 90, "gamma": 90 }
221
PuRu
hard_negative
false
null
0
0.146415
0.146415
true
[ "metallic" ]
null
mp-11561
[ "Rh", "Tb" ]
[ 65, 45 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.4201149940490723, "b": 3.4201149940490723, "c": 3.4201149940490723, "alpha": 90, "beta": 90, "gamma": 90 }
221
TbRh
hard_negative
false
null
0
0
-0.850843
true
[ "metallic" ]
null
mp-11563
[ "Ti", "Rh" ]
[ 22, 45 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.115201950073242, "b": 3.115201950073242, "c": 3.115201950073242, "alpha": 90, "beta": 90, "gamma": 90 }
221
TiRh
hard_negative
false
null
0
0.020117
-0.721255
true
[ "metallic" ]
null
mp-11564
[ "Rh", "Tm" ]
[ 69, 45 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.352823257446289, "b": 3.352823257446289, "c": 3.352823257446289, "alpha": 90, "beta": 90, "gamma": 90 }
221
TmRh
hard_negative
false
null
0
0
-0.977527
true
[ "metallic" ]
null
mp-11566
[ "Sc", "Zn" ]
[ 21, 30 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.3340187072753906, "b": 3.3340187072753906, "c": 3.3340187072753906, "alpha": 90, "beta": 90, "gamma": 90 }
221
ScZn
hard_negative
false
null
0
0
-0.381566
true
[ "metallic" ]
null
mp-11568
[ "Sm", "Tl" ]
[ 62, 81 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.8698039054870605, "b": 3.8698039054870605, "c": 3.8698039054870605, "alpha": 90, "beta": 90, "gamma": 90 }
221
SmTl
hard_negative
false
null
0
0.005275
-0.374243
true
[ "metallic" ]
null
mp-11569
[ "Sm", "Tl" ]
[ 62, 81, 81, 81 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 4.762402057647705, "b": 4.762402057647705, "c": 4.762402057647705, "alpha": 90, "beta": 90, "gamma": 90 }
221
SmTl3
hard_negative
false
null
0
0
-0.269147
true
[ "metallic" ]
null
mp-11570
[ "Sn", "Tb" ]
[ 65, 50, 50, 50 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 4.697956562042236, "b": 4.697956562042236, "c": 4.697956562042236, "alpha": 90, "beta": 90, "gamma": 90 }
221
TbSn3
hard_negative
false
null
0
0.019349
-0.440444
true
[ "metallic" ]
null
mp-11571
[ "Y", "Sn" ]
[ 39, 50, 50, 50 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]
{ "a": 4.700329780578613, "b": 4.700329780578613, "c": 4.700329780578613, "alpha": 90, "beta": 90, "gamma": 90 }
221
YSn3
hard_negative
false
null
0
0.023756
-0.423164
true
[ "metallic" ]
null
mp-11572
[ "Tc", "Ta" ]
[ 73, 43 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.174952745437622, "b": 3.174952745437622, "c": 3.174952745437622, "alpha": 90, "beta": 90, "gamma": 90 }
221
TaTc
hard_negative
false
null
0
0
-0.56775
true
[ "metallic" ]
null
mp-11573
[ "Ti", "Tc" ]
[ 22, 43 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.0944724082946777, "b": 3.0944724082946777, "c": 3.0944724082946777, "alpha": 90, "beta": 90, "gamma": 90 }
221
TiTc
hard_negative
false
null
0
0
-0.5187
true
[ "metallic" ]
null
mp-11575
[ "Y", "Tl" ]
[ 39, 81 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.7776031494140625, "b": 3.7776031494140625, "c": 3.7776031494140625, "alpha": 90, "beta": 90, "gamma": 90 }
221
YTl
hard_negative
false
null
0
0
-0.462709
true
[ "metallic" ]
null
mp-11576
[ "Yb", "Tl" ]
[ 70, 81 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.7049009799957275, "b": 3.7049009799957275, "c": 3.7049009799957275, "alpha": 90, "beta": 90, "gamma": 90 }
221
YbTl
hard_negative
false
null
0
0
-0.373562
true
[ "metallic" ]
null
mp-11578
[ "V", "Zn" ]
[ 23, 30, 30, 30 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 3.7854812145233154, "b": 3.7854812145233154, "c": 3.7854812145233154, "alpha": 90, "beta": 90, "gamma": 90 }
221
VZn3
hard_negative
false
null
0
0
-0.073853
true
[ "metallic" ]
null
mp-1158
[ "Pd", "Lu" ]
[ 71, 46, 46, 46 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.04353141784668, "b": 4.04353141784668, "c": 4.04353141784668, "alpha": 90, "beta": 90, "gamma": 90 }
221
LuPd3
hard_negative
false
null
0
0
-0.964303
true
[ "metallic" ]
null
mp-1169
[ "Sc", "Cu" ]
[ 21, 29 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.240868091583252, "b": 3.240868091583252, "c": 3.240868091583252, "alpha": 90, "beta": 90, "gamma": 90 }
221
ScCu
hard_negative
false
null
0
0
-0.256568
true
[ "metallic" ]
null
mp-1172
[ "Mg", "Rh" ]
[ 12, 45 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.086850881576538, "b": 3.086850881576538, "c": 3.086850881576538, "alpha": 90, "beta": 90, "gamma": 90 }
221
MgRh
hard_negative
false
null
0
0
-0.449774
true
[ "metallic" ]
null
mp-1174
[ "Mg", "Sc" ]
[ 12, 21 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.5964512825012207, "b": 3.5964512825012207, "c": 3.5964512825012207, "alpha": 90, "beta": 90, "gamma": 90 }
221
MgSc
hard_negative
false
null
0
0.001373
-0.02501
true
[ "metallic" ]
null
mp-1180
[ "Mn", "Pt" ]
[ 25, 78, 78, 78 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
{ "a": 3.910964250564575, "b": 3.910964250564575, "c": 3.910964250564575, "alpha": 90, "beta": 90, "gamma": 90 }
221
MnPt3
hard_negative
false
null
0
0
-0.353653
true
[ "metallic" ]
null
mp-1180619
[ "Li", "O" ]
[ 3, 8 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 2.538120985031128, "b": 2.538120985031128, "c": 2.538120985031128, "alpha": 90, "beta": 90, "gamma": 90 }
221
Li2O2
hard_negative
true
1
0
0.289032
-1.361138
true
[ "li", "oxide", "metallic" ]
null
mp-1183056
[ "Cl", "Ac" ]
[ 89, 89, 89, 17 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.460296154022217, "b": 5.460296154022217, "c": 5.460296154022217, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ac3Cl
hard_negative
false
null
0
0.702535
-0.22683
true
[ "halide", "metallic" ]
null
mp-1183058
[ "Zr", "Ac" ]
[ 89, 89, 89, 40 ]
4
2
[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.320168972015381, "b": 5.320168972015381, "c": 5.320168972015381, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ac3Zr
hard_negative
false
null
0
0.267515
0.267515
true
[ "metallic" ]
null
mp-1183059
[ "Yb", "Ac" ]
[ 89, 89, 89, 70 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.4855122566223145, "b": 5.4855122566223145, "c": 5.4855122566223145, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ac3Yb
hard_negative
false
null
0
0.052334
0.052334
true
[ "metallic" ]
null
mp-1183062
[ "Dy", "Ac" ]
[ 89, 66, 66, 66 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.180610656738281, "b": 5.180610656738281, "c": 5.180610656738281, "alpha": 90, "beta": 90, "gamma": 90 }
221
AcDy3
hard_negative
false
null
0
0.076281
0.076281
true
[ "metallic" ]
null
mp-1183064
[ "Au", "Ac" ]
[ 89, 89, 89, 79 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.244382858276367, "b": 5.244382858276367, "c": 5.244382858276367, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ac3Au
hard_negative
false
null
0
0.131701
-0.337091
true
[ "metallic" ]
null
mp-1183075
[ "Cr", "Ac" ]
[ 89, 89, 89, 24 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.31861686706543, "b": 5.31861686706543, "c": 5.31861686706543, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ac3Cr
hard_negative
false
null
0
0.450683
0.450683
true
[ "metallic" ]
null
mp-1183105
[ "Ce", "Ac" ]
[ 89, 89, 89, 58 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.412264823913574, "b": 5.412264823913574, "c": 5.412264823913574, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ac3Ce
hard_negative
false
null
0
0.127472
0.127472
true
[ "metallic" ]
null
mp-1183110
[ "Ce", "Ac" ]
[ 89, 58, 58, 58 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.982419013977051, "b": 4.982419013977051, "c": 4.982419013977051, "alpha": 90, "beta": 90, "gamma": 90 }
221
AcCe3
hard_negative
false
null
0
0.141143
0.141143
true
[ "metallic" ]
null
mp-1183127
[ "Al", "Pd" ]
[ 13, 13, 13, 46 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 3.9469099044799805, "b": 3.9469099044799805, "c": 3.9469099044799805, "alpha": 90, "beta": 90, "gamma": 90 }
221
Al3Pd
hard_negative
false
null
0
0.161577
-0.351715
true
[ "metallic" ]
null
mp-1183129
[ "Al", "As" ]
[ 13, 13, 13, 33 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 4.12577486038208, "b": 4.12577486038208, "c": 4.12577486038208, "alpha": 90, "beta": 90, "gamma": 90 }
221
Al3As
hard_negative
false
null
0
0.363649
0.050127
true
[ "metallic" ]
null
mp-1183130
[ "Al", "Ag" ]
[ 13, 13, 13, 47 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 4.081512928009033, "b": 4.081512928009033, "c": 4.081512928009033, "alpha": 90, "beta": 90, "gamma": 90 }
221
Al3Ag
hard_negative
false
null
0
0.071258
0.0471
true
[ "metallic" ]
null
mp-1183131
[ "Al", "Sn" ]
[ 13, 13, 13, 50 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 4.271208763122559, "b": 4.271208763122559, "c": 4.271208763122559, "alpha": 90, "beta": 90, "gamma": 90 }
221
Al3Sn
hard_negative
false
null
0
0.158354
0.158354
true
[ "metallic" ]
null
mp-1183137
[ "Ag", "Au" ]
[ 47, 47, 47, 79 ]
4
2
[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 4.111093044281006, "b": 4.111093044281006, "c": 4.111093044281006, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ag3Au
hard_negative
false
null
0
0
-0.061714
true
[ "metallic" ]
null
mp-1183140
[ "Al", "Cd" ]
[ 13, 13, 13, 48 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 4.201756000518799, "b": 4.201756000518799, "c": 4.201756000518799, "alpha": 90, "beta": 90, "gamma": 90 }
221
Al3Cd
hard_negative
false
null
0
0.136825
0.136825
true
[ "metallic" ]
null
mp-1183143
[ "Al", "Pd" ]
[ 13, 46, 46, 46 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.87469482421875, "b": 3.87469482421875, "c": 3.87469482421875, "alpha": 90, "beta": 90, "gamma": 90 }
221
AlPd3
hard_negative
false
null
0
0.044021
-0.601624
true
[ "metallic" ]
null
mp-1183161
[ "Al", "Cu" ]
[ 13, 13, 13, 29 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 3.9241509437561035, "b": 3.9241509437561035, "c": 3.9241509437561035, "alpha": 90, "beta": 90, "gamma": 90 }
221
Al3Cu
hard_negative
false
null
0
0.096246
-0.063247
true
[ "metallic" ]
null
mp-1183162
[ "Al", "Fe" ]
[ 13, 26, 26, 26 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.6392910480499268, "b": 3.6392910480499268, "c": 3.6392910480499268, "alpha": 90, "beta": 90, "gamma": 90 }
221
AlFe3
hard_negative
false
null
0
0
-0.198893
true
[ "metallic" ]
null
mp-1183170
[ "Al", "Bi" ]
[ 13, 83, 83, 83 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.8873138427734375, "b": 4.8873138427734375, "c": 4.8873138427734375, "alpha": 90, "beta": 90, "gamma": 90 }
221
AlBi3
hard_negative
false
null
0
0.231929
0.231929
true
[ "metallic" ]
null
mp-1183183
[ "Y", "Ac" ]
[ 89, 39, 39, 39 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.239646911621094, "b": 5.239646911621094, "c": 5.239646911621094, "alpha": 90, "beta": 90, "gamma": 90 }
221
AcY3
hard_negative
false
null
0
0.095069
0.095069
true
[ "metallic" ]
null
mp-1183186
[ "As", "Pt" ]
[ 33, 78, 78, 78 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.013829231262207, "b": 4.013829231262207, "c": 4.013829231262207, "alpha": 90, "beta": 90, "gamma": 90 }
221
AsPt3
hard_negative
false
null
0
0.250463
0.022696
true
[ "metallic" ]
null
mp-1183210
[ "Ag", "Hg" ]
[ 47, 80, 80, 80 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.504893779754639, "b": 4.504893779754639, "c": 4.504893779754639, "alpha": 90, "beta": 90, "gamma": 90 }
221
AgHg3
hard_negative
false
null
0
0.112961
0.112961
true
[ "metallic" ]
null
mp-1183295
[ "Sb", "Ba" ]
[ 56, 56, 56, 51 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.57241678237915, "b": 5.57241678237915, "c": 5.57241678237915, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Sb
hard_negative
false
null
0
0.170081
-0.542558
true
[ "metallic" ]
null
mp-1183300
[ "Se", "Ba" ]
[ 56, 56, 56, 34 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.456996917724609, "b": 5.456996917724609, "c": 5.456996917724609, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Se
hard_negative
false
null
0
0.545586
-0.596295
true
[ "metallic" ]
null
mp-1183304
[ "Na", "Ba" ]
[ 56, 56, 56, 11 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 6.232586860656738, "b": 6.232586860656738, "c": 6.232586860656738, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Na
hard_negative
false
null
0
0.054993
0.049293
true
[ "metallic" ]
null
mp-1183309
[ "Ba", "Sm" ]
[ 56, 62, 62, 62 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.345792770385742, "b": 5.345792770385742, "c": 5.345792770385742, "alpha": 90, "beta": 90, "gamma": 90 }
221
BaSm3
hard_negative
false
null
0
0.209359
0.209359
true
[ "metallic" ]
null
mp-1183311
[ "Ba", "La" ]
[ 56, 57, 57, 57 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.464192867279053, "b": 5.464192867279053, "c": 5.464192867279053, "alpha": 90, "beta": 90, "gamma": 90 }
221
BaLa3
hard_negative
false
null
0
0.165259
0.165259
true
[ "metallic" ]
null
mp-1183314
[ "Ca", "Ba" ]
[ 56, 56, 56, 20 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 6.254931449890137, "b": 6.254931449890137, "c": 6.254931449890137, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Ca
hard_negative
false
null
0
0.040354
0.040354
true
[ "metallic" ]
null
mp-1183315
[ "Ba", "Yb" ]
[ 56, 56, 56, 70 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.9736199378967285, "b": 5.9736199378967285, "c": 5.9736199378967285, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Yb
hard_negative
false
null
0
0.321406
0.321406
true
[ "metallic" ]
null
mp-1183317
[ "Ba", "Sm" ]
[ 56, 56, 56, 62 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.965710163116455, "b": 5.965710163116455, "c": 5.965710163116455, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Sm
hard_negative
false
null
0
0.200907
0.200907
true
[ "metallic" ]
null
mp-1183319
[ "Ba", "Pm" ]
[ 56, 56, 56, 61 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.946564197540283, "b": 5.946564197540283, "c": 5.946564197540283, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Pm
hard_negative
false
null
0
0.216183
0.216183
true
[ "metallic" ]
null
mp-1183331
[ "Ba", "Th" ]
[ 56, 56, 56, 90 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.789461135864258, "b": 5.789461135864258, "c": 5.789461135864258, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3Th
hard_negative
false
null
0
0.42367
0.42367
true
[ "metallic" ]
null
mp-1183334
[ "Ba", "La" ]
[ 56, 56, 56, 57 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 6.023803234100342, "b": 6.023803234100342, "c": 6.023803234100342, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ba3La
hard_negative
false
null
0
0.172399
0.172399
true
[ "metallic" ]
null
mp-1183379
[ "Ba", "Eu" ]
[ 56, 63, 63, 63 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.929055213928223, "b": 5.929055213928223, "c": 5.929055213928223, "alpha": 90, "beta": 90, "gamma": 90 }
221
BaEu3
hard_negative
false
null
0
0.078589
0.078589
true
[ "metallic" ]
null
mp-1183391
[ "Ba", "Pb" ]
[ 56, 82, 82, 82 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.123779296875, "b": 5.123779296875, "c": 5.123779296875, "alpha": 90, "beta": 90, "gamma": 90 }
221
BaPb3
hard_negative
false
null
0
0.031872
-0.340703
true
[ "metallic" ]
null
mp-1183398
[ "Ba", "Yb" ]
[ 56, 70, 70, 70 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.194377899169922, "b": 5.194377899169922, "c": 5.194377899169922, "alpha": 90, "beta": 90, "gamma": 90 }
221
BaYb3
hard_negative
false
null
0
0.354082
0.354082
true
[ "metallic" ]
null
mp-1183401
[ "Be", "Cr" ]
[ 4, 24, 24, 24 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.511214017868042, "b": 3.511214017868042, "c": 3.511214017868042, "alpha": 90, "beta": 90, "gamma": 90 }
221
BeCr3
hard_negative
false
null
0
0.209308
0.126639
true
[ "metallic" ]
null
mp-1183420
[ "Be", "Ge" ]
[ 4, 32, 32, 32 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.08334493637085, "b": 4.08334493637085, "c": 4.08334493637085, "alpha": 90, "beta": 90, "gamma": 90 }
221
BeGe3
hard_negative
false
null
0
0.5331
0.5331
true
[ "metallic" ]
null
mp-1183439
[ "Pt", "Bi" ]
[ 83, 78, 78, 78 ]
4
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.186494827270508, "b": 4.186494827270508, "c": 4.186494827270508, "alpha": 90, "beta": 90, "gamma": 90 }
221
BiPt3
hard_negative
false
null
0
0.155978
0.008885
true
[ "metallic" ]
null
mp-1183446
[ "Au", "Bi" ]
[ 83, 83, 83, 79 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 4.826412200927734, "b": 4.826412200927734, "c": 4.826412200927734, "alpha": 90, "beta": 90, "gamma": 90 }
221
Bi3Au
hard_negative
false
null
0
0.17563
0.17563
true
[ "metallic" ]
null
mp-1183452
[ "Ca", "Ag" ]
[ 20, 20, 20, 47 ]
4
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]
{ "a": 5.08238410949707, "b": 5.08238410949707, "c": 5.08238410949707, "alpha": 90, "beta": 90, "gamma": 90 }
221
Ca3Ag
hard_negative
false
null
0
0.134583
-0.037221
true
[ "metallic" ]
null