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-11387
[ "Ga", "Hf" ]
[ 72, 72, 31, 31, 31, 31, 31, 31 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ] ]
{ "a": 3.8571085929870605, "b": 3.8571085929870605, "c": 9.002613067626953, "alpha": 90, "beta": 90, "gamma": 90 }
139
HfGa3
hard_negative
false
null
0
0
-0.415499
true
[ "metallic" ]
null
mp-11416
[ "Ga", "Ta" ]
[ 73, 73, 31, 31, 31, 31, 31, 31 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ] ]
{ "a": 3.7903363704681396, "b": 3.7903363704681396, "c": 8.663762092590332, "alpha": 90, "beta": 90, "gamma": 90 }
139
TaGa3
hard_negative
false
null
0
0
-0.2008
true
[ "metallic" ]
null
mp-11454
[ "Pd", "Hf" ]
[ 72, 72, 72, 72, 46, 46 ]
6
2
[ [ 0, 0, 0.6583309173583984 ], [ 0.5, 0.5, 0.8416690826416016 ], [ 0.5, 0.5, 0.15833091735839844 ], [ 0, 0, 0.34166908264160156 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.265958309173584, "b": 3.265958309173584, "c": 10.771833419799805, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf2Pd
hard_negative
false
null
0
0
-0.531847
true
[ "metallic" ]
null
mp-11464
[ "Mg", "Hg" ]
[ 12, 12, 80, 80, 80, 80 ]
6
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.6667464375495911 ], [ 0.5, 0.5, 0.8332535624504089 ], [ 0.5, 0.5, 0.16674643754959106 ], [ 0, 0, 0.33325356245040894 ] ]
{ "a": 3.8577017784118652, "b": 3.8577017784118652, "c": 8.794439315795898, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgHg2
hard_negative
false
null
0
0.022828
-0.108658
true
[ "metallic" ]
null
mp-1147532
[ "Cu", "Br" ]
[ 29, 29, 35, 35, 35, 35 ]
6
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]
{ "a": 4.827266216278076, "b": 4.827266216278076, "c": 15.673377990722656, "alpha": 90, "beta": 90, "gamma": 90 }
139
CuBr2
hard_negative
false
null
0
0.212431
-0.459811
true
[ "halide", "metallic" ]
null
mp-1147670
[ "F", "Cu" ]
[ 29, 29, 9, 9, 9, 9 ]
6
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]
{ "a": 3.7327980995178223, "b": 3.7327980995178223, "c": 11.93386173248291, "alpha": 90, "beta": 90, "gamma": 90 }
139
CuF2
hard_negative
false
null
0
0.104771
-1.710259
true
[ "halide", "metallic" ]
null
mp-1147756
[ "Cl", "Cu" ]
[ 29, 29, 17, 17, 17, 17 ]
6
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]
{ "a": 4.50971794128418, "b": 4.50971794128418, "c": 13.719805717468262, "alpha": 90, "beta": 90, "gamma": 90 }
139
CuCl2
hard_negative
false
null
0
0.20842
-0.461606
true
[ "halide", "metallic" ]
null
mp-11493
[ "Lu", "Pb" ]
[ 71, 71, 82, 82, 82, 82 ]
6
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0.8389390110969543 ], [ 0, 0, 0.6610609889030457 ], [ 0, 0, 0.33893901109695435 ], [ 0.5, 0.5, 0.16106098890304565 ] ]
{ "a": 3.894904136657715, "b": 3.894904136657715, "c": 11.072702407836914, "alpha": 90, "beta": 90, "gamma": 90 }
139
LuPb2
hard_negative
false
null
0
0.123778
-0.142462
true
[ "metallic" ]
null
mp-11513
[ "Ni", "Nb" ]
[ 41, 41, 28, 28, 28, 28, 28, 28 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ] ]
{ "a": 3.6167850494384766, "b": 3.6167850494384766, "c": 7.441184997558594, "alpha": 90, "beta": 90, "gamma": 90 }
139
NbNi3
hard_negative
false
null
0
0.009016
-0.283602
true
[ "metallic" ]
null
mp-11567
[ "Sc", "Zn" ]
[ 21, 21, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]
26
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0.8514043688774109, 0.5 ], [ 0.3514043390750885, 0, 0 ], [ 0.6485956311225891, 0, 0 ], [ 0.5, 0.1485956460237503, 0.5 ], [ 0.5, 0.28621533513069153, 0 ], [ 0.7862153053283691, 0, 0.5 ], [ 0.21378466486930847, 0, 0.5 ], [ 0.5, 0.7137846946716309, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.3514043390750885, 0 ], [ 0.8514043688774109, 0.5, 0.5 ], [ 0.1485956460237503, 0.5, 0.5 ], [ 0, 0.6485956311225891, 0 ], [ 0, 0.7862153053283691, 0.5 ], [ 0.28621533513069153, 0.5, 0 ], [ 0.7137846946716309, 0.5, 0 ], [ 0, 0.21378466486930847, 0.5 ] ]
{ "a": 8.691605567932129, "b": 8.691605567932129, "c": 5.0710248947143555, "alpha": 90, "beta": 90, "gamma": 90 }
139
ScZn12
hard_negative
false
null
0
0
-0.136576
true
[ "metallic" ]
null
mp-1157
[ "Ni", "Ta" ]
[ 73, 73, 28, 28, 28, 28 ]
6
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0.83349609375 ], [ 0, 0, 0.66650390625 ], [ 0, 0, 0.3334960639476776 ], [ 0.5, 0.5, 0.1665039360523224 ] ]
{ "a": 3.1471691131591797, "b": 3.1471691131591797, "c": 7.825533390045166, "alpha": 90, "beta": 90, "gamma": 90 }
139
TaNi2
hard_negative
false
null
0
0.003738
-0.30563
true
[ "metallic" ]
null
mp-1178842
[ "O", "U" ]
[ 92, 92, 8, 8, 8, 8, 8, 8, 8, 8 ]
10
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.8127769827842712 ], [ 0.5, 0.5, 0.6872230172157288 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.31277701258659363 ], [ 0, 0, 0.18722300231456757 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]
{ "a": 4.244640827178955, "b": 4.244640827178955, "c": 9.819804191589355, "alpha": 90, "beta": 90, "gamma": 90 }
139
UO4
hard_negative
false
null
0
0.351976
-2.537768
true
[ "oxide", "metallic" ]
null
mp-1179454
[ "O", "Si" ]
[ 14, 14, 14, 14, 14, 14, 14, 14, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
24
2
[ [ 0.6768885850906372, 0.6768885850906372, 0.5 ], [ 0.8231114149093628, 0.1768885850906372, 0 ], [ 0.6768885850906372, 0.3231114149093628, 0.5 ], [ 0.8231114149093628, 0.8231114149093628, 0 ], [ 0.1768885850906372, 0.1768885850906372, 0 ], [ 0.3231114149093628, 0.6768885850906372, 0.5 ], [ 0.1768885850906372, 0.8231114149093628, 0 ], [ 0.3231114149093628, 0.3231114149093628, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.25 ], [ 0.5, 0.7085486650466919, 0.5 ], [ 0.7914513349533081, 0, 0 ], [ 0.2085486650466919, 0, 0 ], [ 0.5, 0.2914513349533081, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0, 0.2085486650466919, 0 ], [ 0.2914513349533081, 0.5, 0.5 ], [ 0.7085486650466919, 0.5, 0.5 ], [ 0, 0.7914513349533081, 0 ] ]
{ "a": 8.94408130645752, "b": 8.94408130645752, "c": 5.223540782928467, "alpha": 90, "beta": 90, "gamma": 90 }
139
SiO2
general_inorganic
false
null
5.5301
0.018839
-3.253992
false
[ "oxide", "silicate" ]
null
mp-1181275
[ "Sn", "La" ]
[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50 ]
84
2
[ [ 0.5, 0.5, 0.1605439931154251 ], [ 0, 0, 0.3394559919834137 ], [ 0.6784654855728149, 0.6784654855728149, 0.5 ], [ 0.8215345144271851, 0.8215345144271851, 0 ], [ 0.8215345144271851, 0.17846550047397614, 0 ], [ 0.17846550047397614, 0.8215345144271851, 0 ], [ 0.7512840032577515, 0.5, 0.309596985578537 ], [ 0.24871599674224854, 0.5, 0.309596985578537 ], [ 0.5, 0.7512840032577515, 0.309596985578537 ], [ 0.5, 0.24871599674224854, 0.309596985578537 ], [ 0.7487159967422485, 0, 0.19040299952030182 ], [ 0.25128400325775146, 0, 0.19040299952030182 ], [ 0, 0.7487159967422485, 0.19040299952030182 ], [ 0, 0.25128400325775146, 0.19040299952030182 ], [ 0.8227059841156006, 0.5, 0.10243900120258331 ], [ 0.17729400098323822, 0.5, 0.10243900120258331 ], [ 0.5, 0.8227059841156006, 0.10243900120258331 ], [ 0.5, 0.17729400098323822, 0.10243900120258331 ], [ 0.6772940158843994, 0, 0.3975610136985779 ], [ 0.322706013917923, 0, 0.3975610136985779 ], [ 0, 0.6772940158843994, 0.3975610136985779 ], [ 0, 0.322706013917923, 0.3975610136985779 ], [ 0, 0, 0.6605439782142639 ], [ 0.5, 0.5, 0.8394560217857361 ], [ 0.17846550047397614, 0.17846550047397614, 0 ], [ 0.32153451442718506, 0.32153451442718506, 0.5 ], [ 0.32153451442718506, 0.6784654855728149, 0.5 ], [ 0.6784654855728149, 0.32153451442718506, 0.5 ], [ 0.25128400325775146, 0, 0.8095970153808594 ], [ 0.7487159967422485, 0, 0.8095970153808594 ], [ 0, 0.25128400325775146, 0.8095970153808594 ], [ 0, 0.7487159967422485, 0.8095970153808594 ], [ 0.24871599674224854, 0.5, 0.6904029846191406 ], [ 0.7512840032577515, 0.5, 0.6904029846191406 ], [ 0.5, 0.24871599674224854, 0.6904029846191406 ], [ 0.5, 0.7512840032577515, 0.6904029846191406 ], [ 0.322706013917923, 0, 0.6024389863014221 ], [ 0.6772940158843994, 0, 0.6024389863014221 ], [ 0, 0.322706013917923, 0.6024389863014221 ], [ 0, 0.6772940158843994, 0.6024389863014221 ], [ 0.17729400098323822, 0.5, 0.8975610136985779 ], [ 0.8227059841156006, 0.5, 0.8975610136985779 ], [ 0.5, 0.17729400098323822, 0.8975610136985779 ], [ 0.5, 0.8227059841156006, 0.8975610136985779 ], [ 0.5, 0.5, 0.3929620087146759 ], [ 0, 0, 0.1070379987359047 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.3775534927845001, 0.3775534927845001, 0 ], [ 0.12244649976491928, 0.12244649976491928, 0.5 ], [ 0.6224464774131775, 0.3775534927845001, 0 ], [ 0.3775534927845001, 0.6224464774131775, 0 ], [ 0, 0.3643389940261841, 0 ], [ 0, 0.6356610059738159, 0 ], [ 0.6356610059738159, 0, 0 ], [ 0.3643389940261841, 0, 0 ], [ 0.7098665237426758, 0.7098665237426758, 0.1797505021095276 ], [ 0.2901335060596466, 0.2901335060596466, 0.1797505021095276 ], [ 0.2901335060596466, 0.7098665237426758, 0.1797505021095276 ], [ 0.7098665237426758, 0.2901335060596466, 0.1797505021095276 ], [ 0.7901334762573242, 0.7901334762573242, 0.3202494978904724 ], [ 0.2098664939403534, 0.2098664939403534, 0.3202494978904724 ], [ 0.2098664939403534, 0.7901334762573242, 0.3202494978904724 ], [ 0.7901334762573242, 0.2098664939403534, 0.3202494978904724 ], [ 0, 0, 0.8929619789123535 ], [ 0.5, 0.5, 0.6070380210876465 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.8775535225868225, 0.8775535225868225, 0.5 ], [ 0.6224464774131775, 0.6224464774131775, 0 ], [ 0.12244649976491928, 0.8775535225868225, 0.5 ], [ 0.8775535225868225, 0.12244649976491928, 0.5 ], [ 0.5, 0.8643389940261841, 0.5 ], [ 0.5, 0.13566100597381592, 0.5 ], [ 0.13566100597381592, 0.5, 0.5 ], [ 0.8643389940261841, 0.5, 0.5 ], [ 0.2098664939403534, 0.2098664939403534, 0.6797505021095276 ], [ 0.7901334762573242, 0.7901334762573242, 0.6797505021095276 ], [ 0.7901334762573242, 0.2098664939403534, 0.6797505021095276 ], [ 0.2098664939403534, 0.7901334762573242, 0.6797505021095276 ], [ 0.2901335060596466, 0.2901335060596466, 0.8202494978904724 ], [ 0.7098665237426758, 0.7098665237426758, 0.8202494978904724 ], [ 0.7098665237426758, 0.2901335060596466, 0.8202494978904724 ], [ 0.2901335060596466, 0.7098665237426758, 0.8202494978904724 ] ]
{ "a": 12.208592414855957, "b": 12.208592414855957, "c": 18.382709503173828, "alpha": 90, "beta": 90, "gamma": 90 }
139
La11Sn10
hard_negative
false
null
0
0.010812
-0.920191
true
[ "metallic" ]
null
mp-1181437
[ "O", "Fe" ]
[ 26, 26, 8, 8 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.362790107727051, "b": 7.362790107727051, "c": 3.6242520809173584, "alpha": 90, "beta": 90, "gamma": 90 }
139
FeO
general_inorganic
false
null
1.8861
1.052863
-0.428656
false
[ "oxide" ]
null
mp-1182537
[ "B", "C" ]
[ 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6 ]
20
2
[ [ 0.5, 0.05310500040650368, 0.5 ], [ 0.5, 0.9468950033187866, 0.5 ], [ 0.4468950033187866, 0, 0 ], [ 0.5531049966812134, 0, 0 ], [ 0.5, 0, 0.15828800201416016 ], [ 0.5, 0, 0.8417119979858398 ], [ 0.5, 0, 0.34171199798583984 ], [ 0.5, 0, 0.6582880020141602 ], [ 0, 0, 0 ], [ 0, 0.5531049966812134, 0 ], [ 0, 0.4468950033187866, 0 ], [ 0.9468950033187866, 0.5, 0.5 ], [ 0.05310500040650368, 0.5, 0.5 ], [ 0, 0.5, 0.6582880020141602 ], [ 0, 0.5, 0.34171199798583984 ], [ 0, 0.5, 0.8417119979858398 ], [ 0, 0.5, 0.15828800201416016 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 15.21008586883545, "b": 15.21008586883545, "c": 8.741109848022461, "alpha": 90, "beta": 90, "gamma": 90 }
139
B9C
hard_negative
false
null
0.0576
2.602331
2.531158
false
null
null
mp-1183047
[ "Zr", "U" ]
[ 40, 40, 92, 92, 92, 92, 92, 92 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0.25 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.75 ], [ 0.5, 0, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.214762210845947, "b": 4.214762210845947, "c": 9.739933967590332, "alpha": 90, "beta": 90, "gamma": 90 }
139
ZrU3
hard_negative
false
null
0
0.376326
0.376326
true
[ "metallic" ]
null
mp-1183050
[ "Ba", "Yb" ]
[ 56, 56, 70, 70, 70, 70, 70, 70 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.320192813873291, "b": 5.320192813873291, "c": 9.907886505126953, "alpha": 90, "beta": 90, "gamma": 90 }
139
BaYb3
hard_negative
false
null
0
0.341748
0.341748
true
[ "metallic" ]
null
mp-1183080
[ "Ag", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 47, 47 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.203988075256348, "b": 5.203988075256348, "c": 11.122127532958984, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Ag
hard_negative
false
null
0
0.21334
0.077762
true
[ "metallic" ]
null
mp-1183081
[ "Dy", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 66, 66 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.508701801300049, "b": 5.508701801300049, "c": 10.962249755859375, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Dy
hard_negative
false
null
0
0.066876
0.066876
true
[ "metallic" ]
null
mp-1183082
[ "Zr", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 40, 40 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.3282599449157715, "b": 5.3282599449157715, "c": 10.695958137512207, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Zr
hard_negative
false
null
0
0.274383
0.274383
true
[ "metallic" ]
null
mp-1183083
[ "Y", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 39, 39 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.578872203826904, "b": 5.578872203826904, "c": 10.90713119506836, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Y
hard_negative
false
null
0
0.058626
0.058626
true
[ "metallic" ]
null
mp-1183084
[ "Tm", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 69, 69 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.487338066101074, "b": 5.487338066101074, "c": 10.872757911682129, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Tm
hard_negative
false
null
0
0.072308
0.072308
true
[ "metallic" ]
null
mp-1183087
[ "Lu", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 71, 71 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.467696189880371, "b": 5.467696189880371, "c": 10.954906463623047, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Lu
hard_negative
false
null
0
0.074353
0.074353
true
[ "metallic" ]
null
mp-1183088
[ "Yb", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 70, 70 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.505049228668213, "b": 5.505049228668213, "c": 10.8861665725708, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Yb
hard_negative
false
null
0
0.067073
0.067073
true
[ "metallic" ]
null
mp-1183090
[ "Cd", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 48, 48 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.245816230773926, "b": 5.245816230773926, "c": 11.246625900268555, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Cd
hard_negative
false
null
0
0.06833
-0.078303
true
[ "metallic" ]
null
mp-1183091
[ "Er", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 68, 68 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.522106170654297, "b": 5.522106170654297, "c": 10.929309844970703, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Er
hard_negative
false
null
0
0.070693
0.070693
true
[ "metallic" ]
null
mp-1183092
[ "Zn", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 30, 30 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.150976181030273, "b": 5.150976181030273, "c": 11.140303611755371, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Zn
hard_negative
false
null
0
0.168347
0.068955
true
[ "metallic" ]
null
mp-1183094
[ "V", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 23, 23 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.185272216796875, "b": 5.185272216796875, "c": 10.880898475646973, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3V
hard_negative
false
null
0
0.494254
0.494254
true
[ "metallic" ]
null
mp-1183095
[ "La", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 57, 57 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.641958713531494, "b": 5.641958713531494, "c": 11.068248748779297, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3La
hard_negative
false
null
0
0.032081
0.032081
true
[ "metallic" ]
null
mp-1183096
[ "I", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 53, 53 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.449754238128662, "b": 5.449754238128662, "c": 11.352166175842285, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3I
hard_negative
false
null
0
0.366535
-0.233799
true
[ "halide", "metallic" ]
null
mp-1183097
[ "Mo", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 42, 42 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.047666072845459, "b": 5.047666072845459, "c": 10.799688339233398, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Mo
hard_negative
false
null
0
0.69167
0.69167
true
[ "metallic" ]
null
mp-1183104
[ "Nb", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 41, 41 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.176449775695801, "b": 5.176449775695801, "c": 10.637771606445312, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Nb
hard_negative
false
null
0
0.556804
0.556804
true
[ "metallic" ]
null
mp-1183108
[ "Ti", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 22, 22 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.252920150756836, "b": 5.252920150756836, "c": 10.628157615661621, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Ti
hard_negative
false
null
0
0.399669
0.399669
true
[ "metallic" ]
null
mp-1183175
[ "Al", "Pt" ]
[ 13, 13, 13, 13, 13, 13, 78, 78 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.9421260356903076, "b": 3.9421260356903076, "c": 7.915760040283203, "alpha": 90, "beta": 90, "gamma": 90 }
139
Al3Pt
hard_negative
false
null
0
0.245115
-0.504875
true
[ "metallic" ]
null
mp-1183189
[ "Al", "Au" ]
[ 13, 13, 13, 13, 13, 13, 79, 79 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.050665855407715, "b": 4.050665855407715, "c": 8.113200187683105, "alpha": 90, "beta": 90, "gamma": 90 }
139
Al3Au
hard_negative
false
null
0
0.20331
-0.168011
true
[ "metallic" ]
null
mp-1183195
[ "Al", "Ge" ]
[ 13, 13, 13, 13, 13, 13, 32, 32 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.09650182723999, "b": 4.09650182723999, "c": 8.180235862731934, "alpha": 90, "beta": 90, "gamma": 90 }
139
Al3Ge
hard_negative
false
null
0
0.097487
0.097487
true
[ "metallic" ]
null
mp-1183200
[ "Al", "Sn" ]
[ 13, 13, 13, 13, 13, 13, 50, 50 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.326757907867432, "b": 4.326757907867432, "c": 8.355669975280762, "alpha": 90, "beta": 90, "gamma": 90 }
139
Al3Sn
hard_negative
false
null
0
0.163227
0.163227
true
[ "metallic" ]
null
mp-1183201
[ "Cl", "Au" ]
[ 79, 79, 79, 79, 79, 79, 17, 17 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.2609381675720215, "b": 4.2609381675720215, "c": 8.38813591003418, "alpha": 90, "beta": 90, "gamma": 90 }
139
Au3Cl
hard_negative
false
null
0
0.412605
0.280504
true
[ "halide", "metallic" ]
null
mp-1183202
[ "As", "Ag" ]
[ 47, 47, 47, 47, 47, 47, 33, 33 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.203516006469727, "b": 4.203516006469727, "c": 8.350507736206055, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ag3As
hard_negative
false
null
0
0.094392
0.094392
true
[ "metallic" ]
null
mp-1183203
[ "Al", "Ge" ]
[ 13, 13, 32, 32, 32, 32, 32, 32 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.047701835632324, "b": 4.047701835632324, "c": 9.14621639251709, "alpha": 90, "beta": 90, "gamma": 90 }
139
AlGe3
hard_negative
false
null
0
0.250986
0.250986
true
[ "metallic" ]
null
mp-1183208
[ "Al", "Ga" ]
[ 13, 13, 31, 31, 31, 31, 31, 31 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.03609037399292, "b": 4.03609037399292, "c": 8.382268905639648, "alpha": 90, "beta": 90, "gamma": 90 }
139
AlGa3
hard_negative
false
null
0
0.124631
0.124631
true
[ "metallic" ]
null
mp-1183214
[ "Ag", "Au" ]
[ 47, 47, 47, 47, 47, 47, 79, 79 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.119001865386963, "b": 4.119001865386963, "c": 8.19520092010498, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ag3Au
hard_negative
false
null
0
0.00041
-0.061304
true
[ "metallic" ]
null
mp-1183215
[ "Al", "Cd" ]
[ 13, 13, 48, 48, 48, 48, 48, 48 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.387571811676025, "b": 4.387571811676025, "c": 8.930436134338379, "alpha": 90, "beta": 90, "gamma": 90 }
139
AlCd3
hard_negative
false
null
0
0.115321
0.115321
true
[ "metallic" ]
null
mp-1183217
[ "Tb", "Ac" ]
[ 89, 89, 65, 65, 65, 65, 65, 65 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.273083209991455, "b": 5.273083209991455, "c": 10.125082015991211, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcTb3
hard_negative
false
null
0
0.070871
0.070871
true
[ "metallic" ]
null
mp-1183224
[ "Ag", "Au" ]
[ 47, 47, 79, 79, 79, 79, 79, 79 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.1049580574035645, "b": 4.1049580574035645, "c": 8.308785438537598, "alpha": 90, "beta": 90, "gamma": 90 }
139
AgAu3
hard_negative
false
null
0
0.001749
-0.063136
true
[ "metallic" ]
null
mp-1183226
[ "Y", "Ac" ]
[ 89, 89, 39, 39, 39, 39, 39, 39 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.303493499755859, "b": 5.303493499755859, "c": 10.263786315917969, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcY3
hard_negative
false
null
0
0.098555
0.098555
true
[ "metallic" ]
null
mp-1183230
[ "Sm", "Ac" ]
[ 89, 89, 62, 62, 62, 62, 62, 62 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.308960914611816, "b": 5.308960914611816, "c": 10.396890640258789, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcSm3
hard_negative
false
null
0
0.047458
0.047458
true
[ "metallic" ]
null
mp-1183234
[ "Se", "Ac" ]
[ 89, 89, 34, 34, 34, 34, 34, 34 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.336729526519775, "b": 4.336729526519775, "c": 10.927857398986816, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcSe3
hard_negative
false
null
0
0.282898
-1.202044
true
[ "metallic" ]
null
mp-1183235
[ "Nd", "Ac" ]
[ 89, 89, 60, 60, 60, 60, 60, 60 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.342116355895996, "b": 5.342116355895996, "c": 10.629512786865234, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcNd3
hard_negative
false
null
0
0.037401
0.037401
true
[ "metallic" ]
null
mp-1183239
[ "Pr", "Ac" ]
[ 89, 89, 59, 59, 59, 59, 59, 59 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.373582363128662, "b": 5.373582363128662, "c": 10.731221199035645, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcPr3
hard_negative
false
null
0
0.042427
0.042427
true
[ "metallic" ]
null
mp-1183241
[ "Pm", "Ac" ]
[ 89, 89, 61, 61, 61, 61, 61, 61 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.330568790435791, "b": 5.330568790435791, "c": 10.462753295898438, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcPm3
hard_negative
false
null
0
0.042095
0.042095
true
[ "metallic" ]
null
mp-1183245
[ "Ge", "Ag" ]
[ 47, 47, 32, 32, 32, 32, 32, 32 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.204026222229004, "b": 4.204026222229004, "c": 8.923994064331055, "alpha": 90, "beta": 90, "gamma": 90 }
139
AgGe3
hard_negative
false
null
0
0.285284
0.285284
true
[ "metallic" ]
null
mp-1183256
[ "Ag", "Pb" ]
[ 47, 47, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.904195785522461, "b": 4.904195785522461, "c": 9.46937370300293, "alpha": 90, "beta": 90, "gamma": 90 }
139
AgPb3
hard_negative
false
null
0
0.085093
0.085093
true
[ "metallic" ]
null
mp-1183262
[ "Ce", "Ac" ]
[ 89, 89, 58, 58, 58, 58, 58, 58 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.991109848022461, "b": 4.991109848022461, "c": 10.03494644165039, "alpha": 90, "beta": 90, "gamma": 90 }
139
AcCe3
hard_negative
false
null
0
0.142892
0.142892
true
[ "metallic" ]
null
mp-1183278
[ "Al", "Pb" ]
[ 13, 13, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.822825908660889, "b": 4.822825908660889, "c": 10.041505813598633, "alpha": 90, "beta": 90, "gamma": 90 }
139
AlPb3
hard_negative
false
null
0
0.156096
0.156096
true
[ "metallic" ]
null
mp-1183303
[ "F", "Ba" ]
[ 56, 56, 9, 9, 9, 9, 9, 9 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.244784355163574, "b": 4.244784355163574, "c": 6.838505744934082, "alpha": 90, "beta": 90, "gamma": 90 }
139
BaF3
hard_negative
false
null
0
0.061208
-3.131979
true
[ "halide", "metallic" ]
null
mp-1183307
[ "Ce", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 58, 58 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.286891937255859, "b": 5.286891937255859, "c": 10.515523910522461, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ac3Ce
hard_negative
false
null
0
0.172509
0.172509
true
[ "metallic" ]
null
mp-1183326
[ "Ba", "Pm" ]
[ 56, 56, 61, 61, 61, 61, 61, 61 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.417562007904053, "b": 5.417562007904053, "c": 10.467069625854492, "alpha": 90, "beta": 90, "gamma": 90 }
139
BaPm3
hard_negative
false
null
0
0.191139
0.191139
true
[ "metallic" ]
null
mp-1183332
[ "Ca", "Ba" ]
[ 56, 56, 20, 20, 20, 20, 20, 20 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.88234806060791, "b": 5.88234806060791, "c": 10.97486400604248, "alpha": 90, "beta": 90, "gamma": 90 }
139
BaCa3
hard_negative
false
null
0
0.037017
0.037017
true
[ "metallic" ]
null
mp-1183333
[ "Y", "Ba" ]
[ 56, 56, 56, 56, 56, 56, 39, 39 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.9119720458984375, "b": 5.9119720458984375, "c": 11.867600440979004, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Y
hard_negative
false
null
0
0.240401
0.240401
true
[ "metallic" ]
null
mp-1183335
[ "Sr", "Ba" ]
[ 56, 56, 38, 38, 38, 38, 38, 38 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 6.213187217712402, "b": 6.213187217712402, "c": 12.309347152709961, "alpha": 90, "beta": 90, "gamma": 90 }
139
BaSr3
hard_negative
false
null
0
0.012265
0.008802
true
[ "metallic" ]
null
mp-1183336
[ "Ba", "Tm" ]
[ 56, 56, 56, 56, 56, 56, 69, 69 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.846814155578613, "b": 5.846814155578613, "c": 11.980037689208984, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Tm
hard_negative
false
null
0
0.257135
0.257135
true
[ "metallic" ]
null
mp-1183337
[ "Ba", "Ac" ]
[ 56, 56, 56, 56, 56, 56, 89, 89 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.070899963378906, "b": 6.070899963378906, "c": 12.398697853088379, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Ac
hard_negative
false
null
0
0.11313
0.11313
true
[ "metallic" ]
null
mp-1183340
[ "Ba", "Ho" ]
[ 56, 56, 56, 56, 56, 56, 67, 67 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.894718170166016, "b": 5.894718170166016, "c": 11.884613990783691, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Ho
hard_negative
false
null
0
0.250237
0.250237
true
[ "metallic" ]
null
mp-1183341
[ "Li", "Ba" ]
[ 56, 56, 56, 56, 56, 56, 3, 3 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.8142619132995605, "b": 5.8142619132995605, "c": 12.991866111755371, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Li
hard_negative
true
2
0
0.112876
0.112645
true
[ "li", "metallic" ]
null
mp-1183342
[ "Ca", "Ba" ]
[ 56, 56, 56, 56, 56, 56, 20, 20 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.155767440795898, "b": 6.155767440795898, "c": 12.795228004455566, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Ca
hard_negative
false
null
0
0.039214
0.039214
true
[ "metallic" ]
null
mp-1183343
[ "Ba", "Tb" ]
[ 56, 56, 56, 56, 56, 56, 65, 65 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.896751880645752, "b": 5.896751880645752, "c": 11.912158012390137, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Tb
hard_negative
false
null
0
0.237197
0.237197
true
[ "metallic" ]
null
mp-1183345
[ "Sr", "Ba" ]
[ 56, 56, 56, 56, 56, 56, 38, 38 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.305215358734131, "b": 6.305215358734131, "c": 13.033405303955078, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Sr
hard_negative
false
null
0
0.016272
0.015117
true
[ "metallic" ]
null
mp-1183352
[ "Ba", "Nd" ]
[ 56, 56, 56, 56, 56, 56, 60, 60 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.922500133514404, "b": 5.922500133514404, "c": 12.059752464294434, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Nd
hard_negative
false
null
0
0.194151
0.194151
true
[ "metallic" ]
null
mp-1183353
[ "Ba", "Sm" ]
[ 56, 56, 56, 56, 56, 56, 62, 62 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.981284141540527, "b": 5.981284141540527, "c": 11.851037979125977, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Sm
hard_negative
false
null
0
0.212021
0.212021
true
[ "metallic" ]
null
mp-1183356
[ "Na", "Ba" ]
[ 56, 56, 56, 56, 56, 56, 11, 11 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.962602138519287, "b": 5.962602138519287, "c": 13.25320816040039, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Na
hard_negative
false
null
0
0.075013
0.069313
true
[ "metallic" ]
null
mp-1183360
[ "Te", "Ba" ]
[ 56, 56, 56, 56, 56, 56, 52, 52 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.35538387298584, "b": 5.35538387298584, "c": 13.405340194702148, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Te
hard_negative
false
null
0
0.356019
-0.645768
true
[ "metallic" ]
null
mp-1183361
[ "Ba", "Yb" ]
[ 56, 56, 56, 56, 56, 56, 70, 70 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.078070640563965, "b": 6.078070640563965, "c": 11.430747032165527, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Yb
hard_negative
false
null
0
0.318573
0.318573
true
[ "metallic" ]
null
mp-1183365
[ "Ba", "Pm" ]
[ 56, 56, 56, 56, 56, 56, 61, 61 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.931786060333252, "b": 5.931786060333252, "c": 11.983094215393066, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Pm
hard_negative
false
null
0
0.209436
0.209436
true
[ "metallic" ]
null
mp-1183378
[ "Ba", "Pa" ]
[ 56, 56, 91, 91, 91, 91, 91, 91 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.793978214263916, "b": 4.793978214263916, "c": 9.662198066711426, "alpha": 90, "beta": 90, "gamma": 90 }
139
BaPa3
hard_negative
false
null
0
0.712352
0.712352
true
[ "metallic" ]
null
mp-1183382
[ "Ba", "Pa" ]
[ 56, 56, 56, 56, 56, 56, 91, 91 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.768050193786621, "b": 5.768050193786621, "c": 11.571702003479004, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Pa
hard_negative
false
null
0
0.754553
0.754553
true
[ "metallic" ]
null
mp-1183387
[ "Ba", "Eu" ]
[ 56, 56, 63, 63, 63, 63, 63, 63 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.741673946380615, "b": 5.741673946380615, "c": 11.895602226257324, "alpha": 90, "beta": 90, "gamma": 90 }
139
BaEu3
hard_negative
false
null
0
0.070223
0.070223
true
[ "metallic" ]
null
mp-1183407
[ "Be", "Si" ]
[ 4, 4, 4, 4, 4, 4, 14, 14 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.4111320972442627, "b": 3.4111320972442627, "c": 6.84626579284668, "alpha": 90, "beta": 90, "gamma": 90 }
139
Be3Si
hard_negative
false
null
0
0.287101
0.287101
true
[ "metallic" ]
null
mp-1183408
[ "Be", "Pd" ]
[ 4, 4, 4, 4, 4, 4, 46, 46 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.3206160068511963, "b": 3.3206160068511963, "c": 7.203445911407471, "alpha": 90, "beta": 90, "gamma": 90 }
139
Be3Pd
hard_negative
false
null
0
0.071447
-0.313237
true
[ "metallic" ]
null
mp-1183411
[ "Be", "Rh" ]
[ 4, 4, 4, 4, 4, 4, 45, 45 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.2327253818511963, "b": 3.2327253818511963, "c": 7.274703502655029, "alpha": 90, "beta": 90, "gamma": 90 }
139
Be3Rh
hard_negative
false
null
0
0.012471
-0.429667
true
[ "metallic" ]
null
mp-1183412
[ "Be", "Al" ]
[ 4, 4, 13, 13, 13, 13, 13, 13 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.8843820095062256, "b": 3.8843820095062256, "c": 7.7037858963012695, "alpha": 90, "beta": 90, "gamma": 90 }
139
BeAl3
hard_negative
false
null
0
0.159581
0.159581
true
[ "metallic" ]
null
mp-1183423
[ "Be", "Co" ]
[ 4, 4, 4, 4, 4, 4, 27, 27 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.0924272537231445, "b": 3.0924272537231445, "c": 6.987545967102051, "alpha": 90, "beta": 90, "gamma": 90 }
139
Be3Co
hard_negative
false
null
0
0
-0.285189
true
[ "metallic" ]
null
mp-1183424
[ "Be", "Ge" ]
[ 4, 4, 4, 4, 4, 4, 32, 32 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.4814200401306152, "b": 3.4814200401306152, "c": 7.042140007019043, "alpha": 90, "beta": 90, "gamma": 90 }
139
Be3Ge
hard_negative
false
null
0
0.376175
0.376175
true
[ "metallic" ]
null
mp-1183427
[ "Be", "Ge" ]
[ 4, 4, 32, 32, 32, 32, 32, 32 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.9358859062194824, "b": 3.9358859062194824, "c": 8.784319877624512, "alpha": 90, "beta": 90, "gamma": 90 }
139
BeGe3
hard_negative
false
null
0
0.518371
0.518371
true
[ "metallic" ]
null
mp-1183428
[ "Be", "Ga" ]
[ 4, 4, 31, 31, 31, 31, 31, 31 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.087240219116211, "b": 4.087240219116211, "c": 7.581369876861572, "alpha": 90, "beta": 90, "gamma": 90 }
139
BeGa3
hard_negative
false
null
0
0.276137
0.276137
true
[ "metallic" ]
null
mp-1183432
[ "Be", "Ni" ]
[ 4, 4, 28, 28, 28, 28, 28, 28 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.4608380794525146, "b": 3.4608380794525146, "c": 6.703829765319824, "alpha": 90, "beta": 90, "gamma": 90 }
139
BeNi3
hard_negative
false
null
0
0.075195
-0.158946
true
[ "metallic" ]
null
mp-1183435
[ "Ce", "Er" ]
[ 58, 58, 58, 58, 58, 58, 68, 68 ]
8
2
[ [ 0.5, 0, 0.25 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.75 ], [ 0.5, 0, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.828460216522217, "b": 4.828460216522217, "c": 9.848203659057617, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ce3Er
hard_negative
false
null
0
0.089779
0.089779
true
[ "metallic" ]
null
mp-1183438
[ "Ba", "Ce" ]
[ 56, 56, 56, 56, 56, 56, 58, 58 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.146298408508301, "b": 6.146298408508301, "c": 12.017559051513672, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ba3Ce
hard_negative
false
null
0
0.301475
0.301475
true
[ "metallic" ]
null
mp-1183473
[ "Be", "Ru" ]
[ 4, 4, 44, 44, 44, 44, 44, 44 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.6115219593048096, "b": 3.6115219593048096, "c": 7.906789779663086, "alpha": 90, "beta": 90, "gamma": 90 }
139
BeRu3
hard_negative
false
null
0
0.216402
0.091869
true
[ "metallic" ]
null
mp-1183477
[ "Pt", "Bi" ]
[ 83, 83, 78, 78, 78, 78, 78, 78 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.092557907104492, "b": 4.092557907104492, "c": 8.731657981872559, "alpha": 90, "beta": 90, "gamma": 90 }
139
BiPt3
hard_negative
false
null
0
0.148711
0.001618
true
[ "metallic" ]
null
mp-1183495
[ "Be", "Pb" ]
[ 4, 4, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.656124114990234, "b": 4.656124114990234, "c": 10.144878387451172, "alpha": 90, "beta": 90, "gamma": 90 }
139
BePb3
hard_negative
false
null
0
0.528049
0.528049
true
[ "metallic" ]
null
mp-1183497
[ "Ca", "Dy" ]
[ 20, 20, 66, 66, 66, 66, 66, 66 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.096409797668457, "b": 5.096409797668457, "c": 10.15781021118164, "alpha": 90, "beta": 90, "gamma": 90 }
139
CaDy3
hard_negative
false
null
0
0.132276
0.132276
true
[ "metallic" ]
null
mp-1183502
[ "Ca", "V" ]
[ 20, 20, 20, 20, 20, 20, 23, 23 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.078981876373291, "b": 5.078981876373291, "c": 10.235343933105469, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ca3V
hard_negative
false
null
0
0.480922
0.480922
true
[ "metallic" ]
null
mp-1183504
[ "Au", "Bi" ]
[ 83, 83, 83, 83, 83, 83, 79, 79 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.753464221954346, "b": 4.753464221954346, "c": 10.043481826782227, "alpha": 90, "beta": 90, "gamma": 90 }
139
Bi3Au
hard_negative
false
null
0
0.167315
0.167315
true
[ "metallic" ]
null
mp-1183511
[ "Ca", "Ag" ]
[ 20, 20, 47, 47, 47, 47, 47, 47 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.438563823699951, "b": 4.438563823699951, "c": 8.263574600219727, "alpha": 90, "beta": 90, "gamma": 90 }
139
CaAg3
hard_negative
false
null
0
0.071812
-0.164039
true
[ "metallic" ]
null
mp-1183515
[ "Ca", "Y" ]
[ 20, 20, 20, 20, 20, 20, 39, 39 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.38849401473999, "b": 5.38849401473999, "c": 10.923935890197754, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ca3Y
hard_negative
false
null
0
0.132543
0.132543
true
[ "metallic" ]
null
mp-1183580
[ "B", "Cd" ]
[ 48, 48, 48, 48, 48, 48, 5, 5 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.102302074432373, "b": 4.102302074432373, "c": 8.859386444091797, "alpha": 90, "beta": 90, "gamma": 90 }
139
Cd3B
hard_negative
false
null
0
0.849152
0.849152
true
[ "metallic" ]
null
mp-1183587
[ "As", "Cd" ]
[ 48, 48, 48, 48, 48, 48, 33, 33 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.524531841278076, "b": 4.524531841278076, "c": 8.729528427124023, "alpha": 90, "beta": 90, "gamma": 90 }
139
Cd3As
hard_negative
false
null
0
0.184672
0.143522
true
[ "metallic" ]
null
mp-1183590
[ "F", "Ca" ]
[ 20, 20, 9, 9, 9, 9, 9, 9 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.798814058303833, "b": 3.798814058303833, "c": 6.445365905761719, "alpha": 90, "beta": 90, "gamma": 90 }
139
CaF3
hard_negative
false
null
0
0.142074
-3.024617
true
[ "halide", "metallic" ]
null