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-1186855 | [
"Al",
"Tb"
] | [
65,
13,
13,
13
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 4.244024276733398,
"b": 4.244024276733398,
"c": 4.244024276733398,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbAl3 | hard_negative | false | null | 0 | 0.033113 | -0.455622 | true | [
"metallic"
] | null |
mp-1186877 | [
"Rb",
"Tm"
] | [
37,
37,
37,
69
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 6.414985179901123,
"b": 6.414985179901123,
"c": 6.414985179901123,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rb3Tm | hard_negative | false | null | 0 | 0.634474 | 0.634474 | true | [
"metallic"
] | null |
mp-1186880 | [
"Rb",
"Zr"
] | [
37,
37,
37,
40
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 6.226078987121582,
"b": 6.226078987121582,
"c": 6.226078987121582,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rb3Zr | hard_negative | false | null | 0 | 1.036934 | 1.036934 | true | [
"metallic"
] | null |
mp-1186881 | [
"Ti",
"Rb"
] | [
37,
37,
37,
22
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 6.229363918304443,
"b": 6.229363918304443,
"c": 6.229363918304443,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rb3Ti | hard_negative | false | null | 0 | 0.915406 | 0.915406 | true | [
"metallic"
] | null |
mp-1186902 | [
"Re",
"Ir"
] | [
75,
75,
75,
77
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.881965160369873,
"b": 3.881965160369873,
"c": 3.881965160369873,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Re3Ir | hard_negative | false | null | 0 | 0 | -0.104852 | true | [
"metallic"
] | null |
mp-1186906 | [
"Rb",
"Gd"
] | [
37,
37,
37,
64
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.742952823638916,
"b": 5.742952823638916,
"c": 5.742952823638916,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rb3Gd | hard_negative | false | null | 0 | 0.722959 | 0.722959 | true | [
"metallic"
] | null |
mp-1186912 | [
"Rb",
"Th"
] | [
37,
37,
37,
90
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 6.265998840332031,
"b": 6.265998840332031,
"c": 6.265998840332031,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rb3Th | hard_negative | false | null | 0 | 1.041367 | 1.041367 | true | [
"metallic"
] | null |
mp-1186913 | [
"Rb",
"Np"
] | [
37,
93,
93,
93
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.986378192901611,
"b": 4.986378192901611,
"c": 4.986378192901611,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | RbNp3 | hard_negative | false | null | 0 | 1.628753 | 1.628753 | true | [
"metallic"
] | null |
mp-1186917 | [
"Sb",
"Au"
] | [
51,
79,
79,
79
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.314704895019531,
"b": 4.314704895019531,
"c": 4.314704895019531,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SbAu3 | hard_negative | false | null | 0 | 0.127205 | 0.101339 | true | [
"metallic"
] | null |
mp-1186922 | [
"Rb",
"U"
] | [
37,
92,
92,
92
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.566844940185547,
"b": 4.566844940185547,
"c": 4.566844940185547,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | RbU3 | hard_negative | false | null | 0 | 1.585022 | 1.585022 | true | [
"metallic"
] | null |
mp-1186928 | [
"Pd",
"Sb"
] | [
51,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.0265116691589355,
"b": 4.0265116691589355,
"c": 4.0265116691589355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SbPd3 | hard_negative | false | null | 0 | 0.07565 | -0.343625 | true | [
"metallic"
] | null |
mp-1186947 | [
"Rb",
"Eu"
] | [
37,
63,
63,
63
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.014309883117676,
"b": 6.014309883117676,
"c": 6.014309883117676,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | RbEu3 | hard_negative | false | null | 0 | 0.270459 | 0.270459 | true | [
"metallic"
] | null |
mp-1186965 | [
"Rb",
"Ce"
] | [
37,
37,
37,
58
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 7.475372791290283,
"b": 7.475372791290283,
"c": 7.475372791290283,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rb3Ce | hard_negative | false | null | 0 | 0.803881 | 0.803881 | true | [
"metallic"
] | null |
mp-1186967 | [
"Sc",
"Hg"
] | [
21,
21,
21,
80
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.464650630950928,
"b": 4.464650630950928,
"c": 4.464650630950928,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sc3Hg | hard_negative | false | null | 0 | 0.021109 | -0.249755 | true | [
"metallic"
] | null |
mp-1186970 | [
"Sc",
"Sn"
] | [
21,
21,
21,
50
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.519948482513428,
"b": 4.519948482513428,
"c": 4.519948482513428,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sc3Sn | hard_negative | false | null | 0 | 0.005276 | -0.499359 | true | [
"metallic"
] | null |
mp-1186985 | [
"Sc",
"Ni"
] | [
21,
28,
28,
28
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.6748831272125244,
"b": 3.6748831272125244,
"c": 3.6748831272125244,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ScNi3 | hard_negative | false | null | 0 | 0.02394 | -0.398235 | true | [
"metallic"
] | null |
mp-1187023 | [
"Ge",
"Sn"
] | [
50,
50,
50,
32
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.685680866241455,
"b": 4.685680866241455,
"c": 4.685680866241455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sn3Ge | hard_negative | false | null | 0 | 0.157523 | 0.157523 | true | [
"metallic"
] | null |
mp-1187024 | [
"Sn",
"Bi"
] | [
50,
50,
50,
83
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.892745018005371,
"b": 4.892745018005371,
"c": 4.892745018005371,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sn3Bi | hard_negative | false | null | 0 | 0.098462 | 0.098462 | true | [
"metallic"
] | null |
mp-1187034 | [
"P",
"Sn"
] | [
50,
50,
50,
15
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.640921115875244,
"b": 4.640921115875244,
"c": 4.640921115875244,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sn3P | hard_negative | false | null | 0 | 0.296118 | 0.293836 | true | [
"metallic"
] | null |
mp-1187037 | [
"Sn",
"Sb"
] | [
50,
50,
50,
51
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.8226318359375,
"b": 4.8226318359375,
"c": 4.8226318359375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sn3Sb | hard_negative | false | null | 0 | 0.080812 | 0.080812 | true | [
"metallic"
] | null |
mp-1187043 | [
"Se",
"Sn"
] | [
50,
50,
50,
34
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.741878986358643,
"b": 4.741878986358643,
"c": 4.741878986358643,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sn3Se | hard_negative | false | null | 0 | 0.271123 | 0.044349 | true | [
"metallic"
] | null |
mp-1187049 | [
"Pb",
"Th"
] | [
90,
90,
90,
82
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.984514236450195,
"b": 4.984514236450195,
"c": 4.984514236450195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Th3Pb | hard_negative | false | null | 0 | 0.056559 | -0.225155 | true | [
"metallic"
] | null |
mp-1187052 | [
"Th",
"Pa"
] | [
90,
90,
90,
91
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.932031631469727,
"b": 4.932031631469727,
"c": 4.932031631469727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Th3Pa | hard_negative | false | null | 0 | 0.09099 | 0.09099 | true | [
"metallic"
] | null |
mp-1187053 | [
"Sm",
"Eu"
] | [
62,
62,
62,
63
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.1284260749816895,
"b": 5.1284260749816895,
"c": 5.1284260749816895,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sm3Eu | hard_negative | false | null | 0 | 0.067266 | 0.067266 | true | [
"metallic"
] | null |
mp-1187064 | [
"In",
"Th"
] | [
90,
90,
90,
49
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.954892158508301,
"b": 4.954892158508301,
"c": 4.954892158508301,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Th3In | hard_negative | false | null | 0 | 0 | -0.21753 | true | [
"metallic"
] | null |
mp-1187066 | [
"Ge",
"Sn"
] | [
50,
32,
32,
32
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.432952880859375,
"b": 4.432952880859375,
"c": 4.432952880859375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SnGe3 | hard_negative | false | null | 0 | 0.300345 | 0.300345 | true | [
"metallic"
] | null |
mp-1187067 | [
"Sn",
"Te"
] | [
50,
50,
50,
52
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.865622043609619,
"b": 4.865622043609619,
"c": 4.865622043609619,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sn3Te | hard_negative | false | null | 0 | 0.235293 | 0.102768 | true | [
"metallic"
] | null |
mp-1187074 | [
"S",
"Th"
] | [
90,
90,
90,
16
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.742042064666748,
"b": 4.742042064666748,
"c": 4.742042064666748,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Th3S | hard_negative | false | null | 0 | 0.735964 | -0.277778 | true | [
"sulfide",
"metallic"
] | null |
mp-1187089 | [
"O",
"Sr"
] | [
38,
38,
8,
8,
8
] | 5 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 4.577652931213379,
"b": 4.577652931213379,
"c": 4.577652931213379,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr2O3 | hard_negative | false | null | 0 | 0.605053 | -1.947884 | true | [
"oxide",
"metallic"
] | null |
mp-1187102 | [
"Sr",
"Ag"
] | [
38,
38,
38,
47
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.490874767303467,
"b": 5.490874767303467,
"c": 5.490874767303467,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Ag | hard_negative | false | null | 0 | 0.200824 | 0.0641 | true | [
"metallic"
] | null |
mp-1187103 | [
"Sr",
"Au"
] | [
38,
38,
38,
79
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.362253189086914,
"b": 5.362253189086914,
"c": 5.362253189086914,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Au | hard_negative | false | null | 0 | 0.303199 | -0.127862 | true | [
"metallic"
] | null |
mp-1187104 | [
"Cu",
"Sr"
] | [
38,
38,
38,
29
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 5.440957069396973,
"b": 5.440957069396973,
"c": 5.440957069396973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Cu | hard_negative | false | null | 0 | 0.29846 | 0.268709 | true | [
"metallic"
] | null |
mp-1187105 | [
"Ca",
"Sr"
] | [
38,
38,
38,
20
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.988752365112305,
"b": 5.988752365112305,
"c": 5.988752365112305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Ca | hard_negative | false | null | 0 | 0.039015 | 0.039015 | true | [
"metallic"
] | null |
mp-1187119 | [
"Sr",
"Hg"
] | [
38,
38,
38,
80
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 5.513000011444092,
"b": 5.513000011444092,
"c": 5.513000011444092,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Hg | hard_negative | false | null | 0 | 0.164795 | -0.111695 | true | [
"metallic"
] | null |
mp-1187128 | [
"Ni",
"Sr"
] | [
38,
38,
38,
28
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.248074054718018,
"b": 5.248074054718018,
"c": 5.248074054718018,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Ni | hard_negative | false | null | 0 | 0.376194 | 0.376194 | true | [
"metallic"
] | null |
mp-1187136 | [
"Sr",
"Sn"
] | [
38,
38,
38,
50
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.36623477935791,
"b": 5.36623477935791,
"c": 5.36623477935791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Sn | hard_negative | false | null | 0 | 0.111123 | -0.434477 | true | [
"metallic"
] | null |
mp-1187137 | [
"Sr",
"Pb"
] | [
38,
38,
38,
82
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.410901069641113,
"b": 5.410901069641113,
"c": 5.410901069641113,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Pb | hard_negative | false | null | 0 | 0.101016 | -0.415848 | true | [
"metallic"
] | null |
mp-1187138 | [
"Zn",
"Sr"
] | [
38,
38,
38,
30
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 5.4799418449401855,
"b": 5.4799418449401855,
"c": 5.4799418449401855,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Zn | hard_negative | false | null | 0 | 0.18605 | 0.093582 | true | [
"metallic"
] | null |
mp-1187139 | [
"Sr",
"Zr"
] | [
38,
38,
38,
40
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.539238929748535,
"b": 5.539238929748535,
"c": 5.539238929748535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Zr | hard_negative | false | null | 0 | 0.518898 | 0.518898 | true | [
"metallic"
] | null |
mp-1187151 | [
"Ca",
"Sr"
] | [
38,
20,
20,
20
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.716765880584717,
"b": 5.716765880584717,
"c": 5.716765880584717,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrCa3 | hard_negative | false | null | 0 | 0.031312 | 0.031312 | true | [
"metallic"
] | null |
mp-1187154 | [
"Sr",
"In"
] | [
38,
49,
49,
49
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.839579105377197,
"b": 4.839579105377197,
"c": 4.839579105377197,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrIn3 | hard_negative | false | null | 0 | 0.052578 | -0.278981 | true | [
"metallic"
] | null |
mp-1187168 | [
"Sr",
"Eu"
] | [
38,
63,
63,
63
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.744175910949707,
"b": 5.744175910949707,
"c": 5.744175910949707,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrEu3 | hard_negative | false | null | 0 | 0.072592 | 0.072592 | true | [
"metallic"
] | null |
mp-1187173 | [
"Sr",
"Pa"
] | [
38,
38,
38,
91
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.641537189483643,
"b": 5.641537189483643,
"c": 5.641537189483643,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Pa | hard_negative | false | null | 0 | 0.720594 | 0.720594 | true | [
"metallic"
] | null |
mp-1187180 | [
"H",
"Pa"
] | [
91,
91,
91,
1
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.285466194152832,
"b": 4.285466194152832,
"c": 4.285466194152832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Pa3H | hard_negative | false | null | 0 | 0.644601 | 0.503651 | true | [
"metallic"
] | null |
mp-1187199 | [
"Ta",
"Bi"
] | [
73,
73,
73,
83
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.278221130371094,
"b": 4.278221130371094,
"c": 4.278221130371094,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ta3Bi | hard_negative | false | null | 0 | 0.344155 | 0.344155 | true | [
"metallic"
] | null |
mp-1187207 | [
"Sr",
"Pr"
] | [
38,
59,
59,
59
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.362739086151123,
"b": 5.362739086151123,
"c": 5.362739086151123,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrPr3 | hard_negative | false | null | 0 | 0.128855 | 0.128855 | true | [
"metallic"
] | null |
mp-1187214 | [
"Ta",
"Pb"
] | [
73,
73,
73,
82
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.265860080718994,
"b": 4.265860080718994,
"c": 4.265860080718994,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ta3Pb | hard_negative | false | null | 0 | 0.338601 | 0.338601 | true | [
"metallic"
] | null |
mp-1187219 | [
"Ta",
"Pt"
] | [
73,
73,
73,
78
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.102720260620117,
"b": 4.102720260620117,
"c": 4.102720260620117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ta3Pt | hard_negative | false | null | 0 | 0.05296 | -0.225954 | true | [
"metallic"
] | null |
mp-1187222 | [
"Sr",
"Eu"
] | [
38,
38,
38,
63
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 6.064401626586914,
"b": 6.064401626586914,
"c": 6.064401626586914,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3Eu | hard_negative | false | null | 0 | 0.067752 | 0.067752 | true | [
"metallic"
] | null |
mp-1187224 | [
"Sr",
"Ce"
] | [
38,
58,
58,
58
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.067022800445557,
"b": 5.067022800445557,
"c": 5.067022800445557,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrCe3 | hard_negative | false | null | 0 | 0.369108 | 0.369108 | true | [
"metallic"
] | null |
mp-1187232 | [
"Sr",
"U"
] | [
38,
38,
38,
92
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.61906623840332,
"b": 5.61906623840332,
"c": 5.61906623840332,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sr3U | hard_negative | false | null | 0 | 0.772511 | 0.772511 | true | [
"metallic"
] | null |
mp-1187243 | [
"Ta",
"Os"
] | [
73,
76,
76,
76
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.9149725437164307,
"b": 3.9149725437164307,
"c": 3.9149725437164307,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaOs3 | hard_negative | false | null | 0 | 0 | -0.163021 | true | [
"metallic"
] | null |
mp-1187250 | [
"Ti",
"Ta"
] | [
73,
22,
22,
22
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.133053779602051,
"b": 4.133053779602051,
"c": 4.133053779602051,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaTi3 | hard_negative | false | null | 0 | 0.094967 | 0.094967 | true | [
"metallic"
] | null |
mp-1187257 | [
"Zn",
"Ta"
] | [
73,
30,
30,
30
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.890793800354004,
"b": 3.890793800354004,
"c": 3.890793800354004,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaZn3 | hard_negative | false | null | 0 | 0.016572 | -0.090833 | true | [
"metallic"
] | null |
mp-1187266 | [
"Tb",
"Au"
] | [
65,
65,
65,
79
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.742562770843506,
"b": 4.742562770843506,
"c": 4.742562770843506,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Au | hard_negative | false | null | 0 | 0.221168 | -0.2437 | true | [
"metallic"
] | null |
mp-1187267 | [
"Ag",
"Tb"
] | [
65,
65,
65,
47
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.800264835357666,
"b": 4.800264835357666,
"c": 4.800264835357666,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Ag | hard_negative | false | null | 0 | 0.16756 | 0.015671 | true | [
"metallic"
] | null |
mp-1187279 | [
"Tb",
"Hg"
] | [
65,
65,
65,
80
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.8224968910217285,
"b": 4.8224968910217285,
"c": 4.8224968910217285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Hg | hard_negative | false | null | 0 | 0.087682 | -0.202958 | true | [
"metallic"
] | null |
mp-1187281 | [
"Tb",
"Er"
] | [
65,
65,
65,
68
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 5.022995948791504,
"b": 5.022995948791504,
"c": 5.022995948791504,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Er | hard_negative | false | null | 0 | 0.042977 | 0.042977 | true | [
"metallic"
] | null |
mp-1187285 | [
"Tb",
"Ho"
] | [
65,
65,
65,
67
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.031191825866699,
"b": 5.031191825866699,
"c": 5.031191825866699,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Ho | hard_negative | false | null | 0 | 0.045894 | 0.039947 | true | [
"metallic"
] | null |
mp-1187291 | [
"Tb",
"Lu"
] | [
65,
65,
65,
71
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.008180618286133,
"b": 5.008180618286133,
"c": 5.008180618286133,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Lu | hard_negative | false | null | 0 | 0.040537 | 0.040537 | true | [
"metallic"
] | null |
mp-1187302 | [
"S",
"Tb"
] | [
65,
65,
65,
16
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.608295917510986,
"b": 4.608295917510986,
"c": 4.608295917510986,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3S | hard_negative | false | null | 0 | 0.730322 | -0.405404 | true | [
"sulfide",
"metallic"
] | null |
mp-1187303 | [
"Se",
"Tb"
] | [
65,
65,
65,
34
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.692315101623535,
"b": 4.692315101623535,
"c": 4.692315101623535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Se | hard_negative | false | null | 0 | 0.507661 | -0.490997 | true | [
"metallic"
] | null |
mp-1187304 | [
"Eu",
"Tb"
] | [
65,
65,
65,
63
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.071620941162109,
"b": 5.071620941162109,
"c": 5.071620941162109,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Eu | hard_negative | false | null | 0 | 0.085864 | 0.085864 | true | [
"metallic"
] | null |
mp-1187305 | [
"Sc",
"Tb"
] | [
65,
65,
65,
21
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.9402008056640625,
"b": 4.9402008056640625,
"c": 4.9402008056640625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Sc | hard_negative | false | null | 0 | 0.061188 | 0.061188 | true | [
"metallic"
] | null |
mp-1187306 | [
"Tb",
"Tm"
] | [
65,
65,
65,
69
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.016910076141357,
"b": 5.016910076141357,
"c": 5.016910076141357,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Tm | hard_negative | false | null | 0 | 0.040556 | 0.040556 | true | [
"metallic"
] | null |
mp-1187312 | [
"As",
"Tb"
] | [
65,
33,
33,
33
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.377367973327637,
"b": 4.377367973327637,
"c": 4.377367973327637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbAs3 | hard_negative | false | null | 0 | 0.26198 | -0.647836 | true | [
"metallic"
] | null |
mp-1187314 | [
"Y",
"Tb"
] | [
65,
65,
65,
39
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.059234619140625,
"b": 5.059234619140625,
"c": 5.059234619140625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Y | hard_negative | false | null | 0 | 0.052219 | 0.052219 | true | [
"metallic"
] | null |
mp-1187315 | [
"Zn",
"Tb"
] | [
65,
65,
65,
30
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.754154205322266,
"b": 4.754154205322266,
"c": 4.754154205322266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Zn | hard_negative | false | null | 0 | 0.131967 | -0.060635 | true | [
"metallic"
] | null |
mp-1187330 | [
"Tb",
"Np"
] | [
65,
65,
65,
93
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.942461013793945,
"b": 4.942461013793945,
"c": 4.942461013793945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3Np | hard_negative | false | null | 0 | 0.401103 | 0.401103 | true | [
"metallic"
] | null |
mp-1187338 | [
"Tb",
"Ho"
] | [
65,
67,
67,
67
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.004765033721924,
"b": 5.004765033721924,
"c": 5.004765033721924,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbHo3 | hard_negative | false | null | 0 | 0.051742 | 0.045796 | true | [
"metallic"
] | null |
mp-1187366 | [
"Ru",
"Tb"
] | [
65,
44,
44,
44
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.05755615234375,
"b": 4.05755615234375,
"c": 4.05755615234375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbRu3 | hard_negative | false | null | 0 | 0.427227 | 0.198224 | true | [
"metallic"
] | null |
mp-1187390 | [
"Tb",
"Th"
] | [
65,
90,
90,
90
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.051925182342529,
"b": 5.051925182342529,
"c": 5.051925182342529,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbTh3 | hard_negative | false | null | 0 | 0.047041 | 0.047041 | true | [
"metallic"
] | null |
mp-1187395 | [
"Mo",
"Tc"
] | [
43,
43,
43,
42
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.9143190383911133,
"b": 3.9143190383911133,
"c": 3.9143190383911133,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tc3Mo | hard_negative | false | null | 0 | 0.116942 | 0.116942 | true | [
"metallic"
] | null |
mp-1187447 | [
"Th",
"Pa"
] | [
90,
91,
91,
91
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.736581802368164,
"b": 4.736581802368164,
"c": 4.736581802368164,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ThPa3 | hard_negative | false | null | 0 | 0.076775 | 0.076775 | true | [
"metallic"
] | null |
mp-1187452 | [
"Pt",
"Th"
] | [
90,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.217057704925537,
"b": 4.217057704925537,
"c": 4.217057704925537,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ThPt3 | hard_negative | false | null | 0 | 0.015857 | -1.139888 | true | [
"metallic"
] | null |
mp-1187454 | [
"C",
"Ti"
] | [
22,
22,
22,
6
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.707031011581421,
"b": 3.707031011581421,
"c": 3.707031011581421,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ti3C | hard_negative | false | null | 0 | 0.856012 | 0.311293 | true | [
"metallic"
] | null |
mp-1187466 | [
"Ti",
"Cd"
] | [
22,
22,
22,
48
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.1510090827941895,
"b": 4.1510090827941895,
"c": 4.1510090827941895,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ti3Cd | hard_negative | false | null | 0 | 0.100837 | 0.042241 | true | [
"metallic"
] | null |
mp-1187471 | [
"Bi",
"Th"
] | [
90,
83,
83,
83
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.956837177276611,
"b": 4.956837177276611,
"c": 4.956837177276611,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ThBi3 | hard_negative | false | null | 0 | 0.0559 | -0.335531 | true | [
"metallic"
] | null |
mp-1187482 | [
"V",
"Tl"
] | [
81,
81,
81,
23
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.655126094818115,
"b": 4.655126094818115,
"c": 4.655126094818115,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3V | hard_negative | false | null | 0 | 0.528467 | 0.528467 | true | [
"metallic"
] | null |
mp-1187484 | [
"Tl",
"Bi"
] | [
81,
83,
83,
83
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.035144805908203,
"b": 5.035144805908203,
"c": 5.035144805908203,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TlBi3 | hard_negative | false | null | 0 | 0.093622 | 0.0828 | true | [
"metallic"
] | null |
mp-1187486 | [
"Sb",
"Tl"
] | [
81,
81,
81,
51
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.943548202514648,
"b": 4.943548202514648,
"c": 4.943548202514648,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Sb | hard_negative | false | null | 0 | 0.01786 | -0.004054 | true | [
"metallic"
] | null |
mp-1187490 | [
"Ag",
"Tl"
] | [
81,
81,
81,
47
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.810102939605713,
"b": 4.810102939605713,
"c": 4.810102939605713,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Ag | hard_negative | false | null | 0 | 0.107439 | 0.107439 | true | [
"metallic"
] | null |
mp-1187495 | [
"Ge",
"Tl"
] | [
81,
81,
81,
32
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.818522930145264,
"b": 4.818522930145264,
"c": 4.818522930145264,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Ge | hard_negative | false | null | 0 | 0.176459 | 0.176459 | true | [
"metallic"
] | null |
mp-1187496 | [
"Si",
"Tl"
] | [
81,
81,
81,
14
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.7837347984313965,
"b": 4.7837347984313965,
"c": 4.7837347984313965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Si | hard_negative | false | null | 0 | 0.380809 | 0.380809 | true | [
"metallic"
] | null |
mp-1187498 | [
"Zn",
"Tl"
] | [
81,
81,
81,
30
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.800989151000977,
"b": 4.800989151000977,
"c": 4.800989151000977,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Zn | hard_negative | false | null | 0 | 0.135954 | 0.135954 | true | [
"metallic"
] | null |
mp-1187500 | [
"Cl",
"Tl"
] | [
81,
81,
81,
17
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.0136799812316895,
"b": 5.0136799812316895,
"c": 5.0136799812316895,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Cl | hard_negative | false | null | 0 | 0.200044 | -0.462865 | true | [
"halide",
"metallic"
] | null |
mp-1187502 | [
"Tl",
"Bi"
] | [
81,
81,
81,
83
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.9857683181762695,
"b": 4.9857683181762695,
"c": 4.9857683181762695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Bi | hard_negative | false | null | 0 | 0.01197 | -0.020494 | true | [
"metallic"
] | null |
mp-1187508 | [
"Au",
"Tl"
] | [
81,
79,
79,
79
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.326075077056885,
"b": 4.326075077056885,
"c": 4.326075077056885,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TlAu3 | hard_negative | false | null | 0 | 0.123028 | 0.105861 | true | [
"metallic"
] | null |
mp-1187519 | [
"Cu",
"Tl"
] | [
81,
81,
81,
29
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.716998100280762,
"b": 4.716998100280762,
"c": 4.716998100280762,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Cu | hard_negative | false | null | 0 | 0.286394 | 0.286394 | true | [
"metallic"
] | null |
mp-1187526 | [
"B",
"Tl"
] | [
81,
81,
81,
5
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.641984939575195,
"b": 4.641984939575195,
"c": 4.641984939575195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3B | hard_negative | false | null | 0 | 1.000776 | 1.000776 | true | [
"metallic"
] | null |
mp-1187532 | [
"Au",
"Tl"
] | [
81,
81,
81,
79
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.735325336456299,
"b": 4.735325336456299,
"c": 4.735325336456299,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3Au | hard_negative | false | null | 0 | 0.074875 | 0.040542 | true | [
"metallic"
] | null |
mp-1187566 | [
"Zn",
"Tl"
] | [
81,
30,
30,
30
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
]
] | {
"a": 4.311398983001709,
"b": 4.311398983001709,
"c": 4.311398983001709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TlZn3 | hard_negative | false | null | 0 | 0.185411 | 0.185411 | true | [
"metallic"
] | null |
mp-1187567 | [
"Rh",
"Tm"
] | [
69,
45,
45,
45
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.982475519180298,
"b": 3.982475519180298,
"c": 3.982475519180298,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmRh3 | hard_negative | false | null | 0 | 0.010744 | -0.561252 | true | [
"metallic"
] | null |
mp-1187579 | [
"Mg",
"Tm"
] | [
69,
12,
12,
12
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 4.608128070831299,
"b": 4.608128070831299,
"c": 4.608128070831299,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmMg3 | hard_negative | false | null | 0 | 0.0155 | -0.032218 | true | [
"metallic"
] | null |
mp-1187581 | [
"Ru",
"Tm"
] | [
69,
44,
44,
44
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.016502857208252,
"b": 4.016502857208252,
"c": 4.016502857208252,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmRu3 | hard_negative | false | null | 0 | 0.37712 | 0.093614 | true | [
"metallic"
] | null |
mp-1187582 | [
"Mn",
"Yb"
] | [
70,
25,
25,
25
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.079887866973877,
"b": 4.079887866973877,
"c": 4.079887866973877,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbMn3 | hard_negative | false | null | 0 | 0.099415 | -0.019573 | true | [
"metallic"
] | null |
mp-1187600 | [
"Yb",
"Pa"
] | [
70,
91,
91,
91
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.663464546203613,
"b": 4.663464546203613,
"c": 4.663464546203613,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbPa3 | hard_negative | false | null | 0 | 0.130793 | 0.130793 | true | [
"metallic"
] | null |
mp-1187624 | [
"Cl",
"U"
] | [
92,
92,
92,
17
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.245441913604736,
"b": 4.245441913604736,
"c": 4.245441913604736,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | U3Cl | hard_negative | false | null | 0 | 0.815236 | 0.078391 | true | [
"halide",
"metallic"
] | null |
mp-1187636 | [
"Tm",
"Hg"
] | [
69,
69,
69,
80
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.743083953857422,
"b": 4.743083953857422,
"c": 4.743083953857422,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tm3Hg | hard_negative | false | null | 0 | 0.092455 | -0.190092 | true | [
"metallic"
] | null |
mp-1187638 | [
"In",
"Tl"
] | [
81,
81,
81,
49
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.912872791290283,
"b": 4.912872791290283,
"c": 4.912872791290283,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3In | hard_negative | false | null | 0 | 0.053276 | 0.053276 | true | [
"metallic"
] | null |
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