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-1102379
[ "Se", "Re" ]
[ 75, 75, 75, 75, 34, 34, 34, 34, 34, 34, 34, 34 ]
12
2
[ [ 0.6666666865348816, 0.3333333432674408, 0 ], [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0.7490990161895752 ], [ 0.6666666865348816, 0.3333333432674408, 0.2509010136127472 ], [ 0.3333333432674408, 0.6666666865348816, 0.9404379725456238 ], [ 0.3333333432674408, 0.6666666865348816, 0.05956200137734413 ], [ 0, 0, 0.6893740296363831 ], [ 0, 0, 0.31062600016593933 ], [ 0, 0, 0.8085640072822571 ], [ 0, 0, 0.19143599271774292 ], [ 0.6666666865348816, 0.3333333432674408, 0.5598009824752808 ], [ 0.6666666865348816, 0.3333333432674408, 0.44019898772239685 ] ]
{ "a": 3.472088575363159, "b": 3.472088575363159, "c": 25.92391586303711, "alpha": 90, "beta": 90, "gamma": 120 }
187
ReSe2
hard_negative
false
null
0
0.300661
-0.162505
true
[ "metallic" ]
null
mp-1104403
[ "C", "N" ]
[ 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7 ]
14
2
[ [ 0.7861746549606323, 0.21382533013820648, 0 ], [ 0.42765066027641296, 0.21382533013820648, 0 ], [ 0.7861746549606323, 0.5723493099212646, 0 ], [ 0.7740506529808044, 0.8870253562927246, 0 ], [ 0.11297466605901718, 0.22594933211803436, 0 ], [ 0.11297466605901718, 0.8870253562927246, 0 ], [ 0.6666666865348816, 0.3333333432674408, 0 ], [ 0.670142650604248, 0.9980643391609192, 0 ], [ 0.32792165875434875, 0.32985731959342957, 0 ], [ 0.001935666659846902, 0.6720783114433289, 0 ], [ 0.670142650604248, 0.6720783114433289, 0 ], [ 0.001935666659846902, 0.32985731959342957, 0 ], [ 0.32792165875434875, 0.9980643391609192, 0 ], [ 0, 0, 0 ] ]
{ "a": 7.1416497230529785, "b": 7.1416497230529785, "c": 3.6194169521331787, "alpha": 90, "beta": 90, "gamma": 120 }
187
C3N4
general_inorganic
false
null
0.8366
0.111792
0.111792
false
null
null
mp-11807
[ "Li", "Pt" ]
[ 3, 78 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 2.746276617050171, "b": 2.746276617050171, "c": 4.170464992523193, "alpha": 90, "beta": 90, "gamma": 120 }
187
LiPt
hard_negative
true
1
0
0
-0.654899
true
[ "li", "metallic" ]
null
mp-1183040
[ "Se", "Zr" ]
[ 40, 34 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0 ], [ 0.6666666865348816, 0.3333333432674408, 0.5 ] ]
{ "a": 3.577589750289917, "b": 3.577589750289917, "c": 3.6287713050842285, "alpha": 90, "beta": 90, "gamma": 120 }
187
ZrSe
hard_negative
false
null
0
0
-1.557152
true
[ "metallic" ]
null
mp-1183049
[ "La", "Ac" ]
[ 89, 57 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.990618944168091, "b": 3.990618944168091, "c": 6.1414008140563965, "alpha": 90, "beta": 90, "gamma": 120 }
187
AcLa
hard_negative
false
null
0
0.032033
0.032033
true
[ "metallic" ]
null
mp-1183157
[ "Ac", "Th" ]
[ 89, 90 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.742238998413086, "b": 3.742238998413086, "c": 6.189602851867676, "alpha": 90, "beta": 90, "gamma": 120 }
187
AcTh
hard_negative
false
null
0
0.167876
0.167876
true
[ "metallic" ]
null
mp-1183209
[ "Ag", "Pt" ]
[ 47, 78 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 2.7830467224121094, "b": 2.7830467224121094, "c": 4.795106887817383, "alpha": 90, "beta": 90, "gamma": 120 }
187
AgPt
hard_negative
false
null
0
0
-0.082393
true
[ "metallic" ]
null
mp-1183222
[ "Pd", "Ag" ]
[ 47, 46 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 2.8140809535980225, "b": 2.8140809535980225, "c": 4.678990840911865, "alpha": 90, "beta": 90, "gamma": 120 }
187
AgPd
hard_negative
false
null
0
0.006956
-0.065638
true
[ "metallic" ]
null
mp-1183227
[ "Ag", "Au" ]
[ 47, 79 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 2.935166597366333, "b": 2.935166597366333, "c": 4.696905136108398, "alpha": 90, "beta": 90, "gamma": 120 }
187
AgAu
hard_negative
false
null
0
0.016449
-0.04685
true
[ "metallic" ]
null
mp-1183229
[ "Ag", "Ir" ]
[ 47, 77 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 2.75734543800354, "b": 2.75734543800354, "c": 4.893009185791016, "alpha": 90, "beta": 90, "gamma": 120 }
187
AgIr
hard_negative
false
null
0
0.356744
0.356744
true
[ "metallic" ]
null
mp-1183233
[ "Rh", "Ag" ]
[ 47, 45 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 2.777588129043579, "b": 2.777588129043579, "c": 4.8086018562316895, "alpha": 90, "beta": 90, "gamma": 120 }
187
AgRh
hard_negative
false
null
0
0.263305
0.263305
true
[ "metallic" ]
null
mp-1183252
[ "B", "Ir" ]
[ 5, 77 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.0421080589294434, "b": 3.0421080589294434, "c": 2.702972412109375, "alpha": 90, "beta": 90, "gamma": 120 }
187
BIr
hard_negative
false
null
0
0
-0.215047
true
[ "metallic" ]
null
mp-1183293
[ "Ba", "Pm" ]
[ 56, 61 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.967510938644409, "b": 3.967510938644409, "c": 6.5226240158081055, "alpha": 90, "beta": 90, "gamma": 120 }
187
BaPm
hard_negative
false
null
0
0.248259
0.248259
true
[ "metallic" ]
null
mp-1183294
[ "Ba", "Dy" ]
[ 56, 66 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 3.880547523498535, "b": 3.880547523498535, "c": 6.480506896972656, "alpha": 90, "beta": 90, "gamma": 120 }
187
BaDy
hard_negative
false
null
0
0.319307
0.319307
true
[ "metallic" ]
null
mp-1183297
[ "Ba", "Pr" ]
[ 56, 59 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 4.0037617683410645, "b": 4.0037617683410645, "c": 6.579148292541504, "alpha": 90, "beta": 90, "gamma": 120 }
187
BaPr
hard_negative
false
null
0
0.221195
0.221195
true
[ "metallic" ]
null
mp-1183384
[ "Ba", "Tb" ]
[ 56, 65 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.89192271232605, "b": 3.89192271232605, "c": 6.479211807250977, "alpha": 90, "beta": 90, "gamma": 120 }
187
BaTb
hard_negative
false
null
0
0.303158
0.303158
true
[ "metallic" ]
null
mp-1183396
[ "Ba", "Th" ]
[ 56, 90 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.7757856845855713, "b": 3.7757856845855713, "c": 6.509805202484131, "alpha": 90, "beta": 90, "gamma": 120 }
187
BaTh
hard_negative
false
null
0
0.443822
0.443822
true
[ "metallic" ]
null
mp-1183444
[ "Ca", "Br" ]
[ 20, 35 ]
2
2
[ [ 0, 0, 0 ], [ 0.3333333432674408, 0.6666666865348816, 0.5 ] ]
{ "a": 3.917022466659546, "b": 3.917022466659546, "c": 4.341033935546875, "alpha": 90, "beta": 90, "gamma": 120 }
187
CaBr
hard_negative
false
null
0
0.249596
-1.552206
true
[ "halide", "metallic" ]
null
mp-1183572
[ "Ca", "I" ]
[ 20, 53 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 4.146820545196533, "b": 4.146820545196533, "c": 4.576229095458984, "alpha": 90, "beta": 90, "gamma": 120 }
187
CaI
hard_negative
false
null
0
0.230406
-1.190402
true
[ "halide", "metallic" ]
null
mp-1183602
[ "Ca", "La" ]
[ 20, 57 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.7769596576690674, "b": 3.7769596576690674, "c": 6.29996395111084, "alpha": 90, "beta": 90, "gamma": 120 }
187
CaLa
hard_negative
false
null
0
0.075664
0.075664
true
[ "metallic" ]
null
mp-1183669
[ "Cd", "In" ]
[ 48, 49 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.1401147842407227, "b": 3.1401147842407227, "c": 5.771848201751709, "alpha": 90, "beta": 90, "gamma": 120 }
187
CdIn
hard_negative
false
null
0
0.059353
0.059353
true
[ "metallic" ]
null
mp-1183691
[ "N", "Cr" ]
[ 24, 7 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 2.671785593032837, "b": 2.671785593032837, "c": 2.5789430141448975, "alpha": 90, "beta": 90, "gamma": 120 }
187
CrN
hard_negative
false
null
0
0.244394
-0.504793
true
[ "metallic" ]
null
mp-1183726
[ "Cd", "Sn" ]
[ 48, 50 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.2682509422302246, "b": 3.2682509422302246, "c": 5.43798828125, "alpha": 90, "beta": 90, "gamma": 120 }
187
CdSn
hard_negative
false
null
0
0.168229
0.168229
true
[ "metallic" ]
null
mp-1183835
[ "Dy", "Pa" ]
[ 66, 91 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.3034825325012207, "b": 3.3034825325012207, "c": 5.781411170959473, "alpha": 90, "beta": 90, "gamma": 120 }
187
DyPa
hard_negative
false
null
0
0.194081
0.194081
true
[ "metallic" ]
null
mp-1183921
[ "Eu", "Er" ]
[ 63, 68 ]
2
2
[ [ 0, 0, 0 ], [ 0.3333333432674408, 0.6666666865348816, 0.5 ] ]
{ "a": 3.660099506378174, "b": 3.660099506378174, "c": 6.054025173187256, "alpha": 90, "beta": 90, "gamma": 120 }
187
EuEr
hard_negative
false
null
0
0.101074
0.101074
true
[ "metallic" ]
null
mp-1183937
[ "Cs", "Ho" ]
[ 55, 67 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 3.7722556591033936, "b": 3.7722556591033936, "c": 7.5566229820251465, "alpha": 90, "beta": 90, "gamma": 120 }
187
CsHo
hard_negative
false
null
0
0.756247
0.756247
true
[ "metallic" ]
null
mp-1183965
[ "Cs", "Eu" ]
[ 55, 63 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 4.464419841766357, "b": 4.464419841766357, "c": 8.008630752563477, "alpha": 90, "beta": 90, "gamma": 120 }
187
CsEu
hard_negative
false
null
0
0.299267
0.299267
true
[ "metallic" ]
null
mp-1184069
[ "Ni", "Cu" ]
[ 29, 28 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 2.471564292907715, "b": 2.471564292907715, "c": 4.099973678588867, "alpha": 90, "beta": 90, "gamma": 120 }
187
CuNi
hard_negative
false
null
0
0.059684
0.059684
true
[ "metallic" ]
null
mp-1184123
[ "Zr", "Dy" ]
[ 66, 40 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.398087501525879, "b": 3.398087501525879, "c": 5.418688774108887, "alpha": 90, "beta": 90, "gamma": 120 }
187
DyZr
hard_negative
false
null
0
0.104326
0.104326
true
[ "metallic" ]
null
mp-1184231
[ "Mg", "Ac" ]
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150
2
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{ "a": 16.046611785888672, "b": 16.046611785888672, "c": 15.668224334716797, "alpha": 90, "beta": 90, "gamma": 120 }
187
AcMg149
general_inorganic
false
null
0.2168
0.011412
0.009979
false
null
null
mp-1184297
[ "Mg", "Er" ]
[ 68, 12, 12, 12, 12, 12 ]
6
2
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{ "a": 3.2572035789489746, "b": 3.2572035789489746, "c": 15.993471145629883, "alpha": 90, "beta": 90, "gamma": 120 }
187
ErMg5
hard_negative
false
null
0
0.080079
0.058032
true
[ "metallic" ]
null
mp-1184337
[ "Mg", "Ba" ]
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150
2
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{ "a": 16.056612014770508, "b": 16.056612014770508, "c": 15.684439659118652, "alpha": 90, "beta": 90, "gamma": 120 }
187
BaMg149
general_inorganic
false
null
0.3622
0.01313
0.011256
false
null
null
mp-1184350
[ "Er", "U" ]
[ 68, 92 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.2036447525024414, "b": 3.2036447525024414, "c": 5.7249979972839355, "alpha": 90, "beta": 90, "gamma": 120 }
187
ErU
hard_negative
false
null
0
0.42901
0.42901
true
[ "metallic" ]
null
mp-1184449
[ "Mg", "Ca" ]
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150
2
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{ "a": 15.890371322631836, "b": 15.890371322631836, "c": 15.470494270324707, "alpha": 90, "beta": 90, "gamma": 120 }
187
CaMg149
hard_negative
false
null
0
0.010838
0.008488
true
[ "metallic" ]
null
mp-1184509
[ "Te", "Gd" ]
[ 64, 52 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 4.141548156738281, "b": 4.141548156738281, "c": 4.105243682861328, "alpha": 90, "beta": 90, "gamma": 120 }
187
GdTe
hard_negative
false
null
0
0
-1.601623
true
[ "metallic" ]
null
mp-1184537
[ "Mg", "Dy" ]
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150
2
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{ "a": 16.01173973083496, "b": 16.01173973083496, "c": 15.641413688659668, "alpha": 90, "beta": 90, "gamma": 120 }
187
DyMg149
general_inorganic
false
null
0.2636
0.005731
0.004425
false
null
null
mp-1184549
[ "Hf", "Tl" ]
[ 72, 81 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.231572389602661, "b": 3.231572389602661, "c": 5.193432807922363, "alpha": 90, "beta": 90, "gamma": 120 }
187
HfTl
hard_negative
false
null
0
0.134907
0.111812
true
[ "metallic" ]
null
mp-1184763
[ "Zr", "Gd" ]
[ 64, 40 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 3.3939075469970703, "b": 3.3939075469970703, "c": 5.446174144744873, "alpha": 90, "beta": 90, "gamma": 120 }
187
GdZr
hard_negative
false
null
0
0.117716
0.117716
true
[ "metallic" ]
null
mp-1184885
[ "Zr", "Ho" ]
[ 67, 40 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.4055120944976807, "b": 3.4055120944976807, "c": 5.360745906829834, "alpha": 90, "beta": 90, "gamma": 120 }
187
HoZr
hard_negative
false
null
0
0.08993
0.08993
true
[ "metallic" ]
null
mp-1184927
[ "Ho", "Np" ]
[ 67, 93 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 3.2948358058929443, "b": 3.2948358058929443, "c": 5.81447696685791, "alpha": 90, "beta": 90, "gamma": 120 }
187
HoNp
hard_negative
false
null
0
0.887393
0.887393
true
[ "metallic" ]
null
mp-1185036
[ "K", "Nd" ]
[ 19, 60 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.723005533218384, "b": 3.723005533218384, "c": 7.246039867401123, "alpha": 90, "beta": 90, "gamma": 120 }
187
KNd
hard_negative
false
null
0
0.438823
0.438823
true
[ "metallic" ]
null
mp-1185049
[ "K", "Pm" ]
[ 19, 61 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 3.7100536823272705, "b": 3.7100536823272705, "c": 7.238882064819336, "alpha": 90, "beta": 90, "gamma": 120 }
187
KPm
hard_negative
false
null
0
0.456299
0.456299
true
[ "metallic" ]
null
mp-1185056
[ "K", "Sm" ]
[ 19, 62 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 3.6844120025634766, "b": 3.6844120025634766, "c": 7.173445224761963, "alpha": 90, "beta": 90, "gamma": 120 }
187
KSm
hard_negative
false
null
0
0.469137
0.469137
true
[ "metallic" ]
null
mp-1185083
[ "K", "Y" ]
[ 19, 39 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.669884204864502, "b": 3.669884204864502, "c": 7.167265892028809, "alpha": 90, "beta": 90, "gamma": 120 }
187
KY
hard_negative
false
null
0
0.499549
0.499549
true
[ "metallic" ]
null
mp-1185153
[ "K", "Pt" ]
[ 19, 78 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.000847339630127, "b": 3.000847339630127, "c": 5.345578193664551, "alpha": 90, "beta": 90, "gamma": 120 }
187
KPt
hard_negative
false
null
0
0.273504
0.250319
true
[ "metallic" ]
null
mp-1185249
[ "Li", "U" ]
[ 3, 92 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 2.84556245803833, "b": 2.84556245803833, "c": 5.626598834991455, "alpha": 90, "beta": 90, "gamma": 120 }
187
LiU
hard_negative
true
1
0
0.34036
0.34036
true
[ "li", "metallic" ]
null
mp-1185250
[ "Mg", "Er" ]
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150
2
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{ "a": 15.96391773223877, "b": 15.96391773223877, "c": 15.603361129760742, "alpha": 90, "beta": 90, "gamma": 120 }
187
ErMg149
general_inorganic
false
null
0.2856
0.005109
0.004227
false
null
null
mp-1185271
[ "Li", "Pa" ]
[ 3, 91 ]
2
2
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{ "a": 3.0379669666290283, "b": 3.0379669666290283, "c": 5.675084590911865, "alpha": 90, "beta": 90, "gamma": 120 }
187
LiPa
hard_negative
true
1
0
0.279126
0.279126
true
[ "li", "metallic" ]
null
mp-1185299
[ "Mg", "Eu" ]
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150
2
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{ "a": 15.992431640625, "b": 15.992431640625, "c": 15.667740821838379, "alpha": 90, "beta": 90, "gamma": 120 }
187
EuMg149
hard_negative
false
null
0.023
0.007279
0.005561
false
null
null
mp-1185402
[ "Li", "Mn" ]
[ 3, 25 ]
2
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0 ] ]
{ "a": 2.547811985015869, "b": 2.547811985015869, "c": 4.65582275390625, "alpha": 90, "beta": 90, "gamma": 120 }
187
LiMn
hard_negative
true
1
0
0.376647
0.376647
true
[ "li", "metallic" ]
null
mp-1185504
[ "Te", "Lu" ]
[ 71, 52 ]
2
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 4.00517463684082, "b": 4.00517463684082, "c": 3.9682958126068115, "alpha": 90, "beta": 90, "gamma": 120 }
187
LuTe
hard_negative
false
null
0
0
-1.340312
true
[ "metallic" ]
null
mp-1185513
[ "Mg", "Hf" ]
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150
2
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{ "a": 15.946768760681152, "b": 15.946768760681152, "c": 15.598716735839844, "alpha": 90, "beta": 90, "gamma": 120 }
187
HfMg149
general_inorganic
false
null
0.1369
0.010514
0.010514
false
null
null
mp-1185534
[ "Mg", "Ho" ]
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150
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{ "a": 16.02507209777832, "b": 16.02507209777832, "c": 15.656132698059082, "alpha": 90, "beta": 90, "gamma": 120 }
187
HoMg149
general_inorganic
false
null
0.2799
0.005417
0.004386
false
null
null
mp-1185549
[ "Mg", "Br" ]
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{ "a": 15.907907485961914, "b": 15.907907485961914, "c": 15.604007720947266, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Br
hard_negative
false
null
0.0021
0.018897
0.00036
false
[ "halide" ]
null
mp-1185555
[ "Mg", "Ru" ]
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150
2
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{ "a": 15.92221450805664, "b": 15.92221450805664, "c": 15.635546684265137, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Ru
hard_negative
false
null
0.0654
0.00822
0.006134
false
null
null
mp-1185556
[ "H", "Mg" ]
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150
2
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{ "a": 15.947131156921387, "b": 15.947131156921387, "c": 15.645155906677246, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149H
hard_negative
false
null
0
0.017919
0.015092
true
[ "metallic" ]
null
mp-1185557
[ "Mg", "Bi" ]
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150
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{ "a": 16.00087547302246, "b": 16.00087547302246, "c": 15.621933937072754, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Bi
general_inorganic
false
null
0.2936
0.005513
0.002535
false
null
null
mp-1185562
[ "Cs", "Gd" ]
[ 55, 64 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0 ] ]
{ "a": 3.9493863582611084, "b": 3.9493863582611084, "c": 7.499619007110596, "alpha": 90, "beta": 90, "gamma": 120 }
187
CsGd
hard_negative
false
null
0
0.631922
0.631922
true
[ "metallic" ]
null
mp-1185565
[ "Mg", "Mo" ]
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150
2
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{ "a": 15.893502235412598, "b": 15.893502235412598, "c": 15.62147045135498, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Mo
general_inorganic
false
null
0.1504
0.015991
0.015991
false
null
null
mp-1185567
[ "Cs", "Ce" ]
[ 55, 58 ]
2
2
[ [ 0, 0, 0 ], [ 0.3333333432674408, 0.6666666865348816, 0.5 ] ]
{ "a": 3.7419018745422363, "b": 3.7419018745422363, "c": 7.543458461761475, "alpha": 90, "beta": 90, "gamma": 120 }
187
CsCe
hard_negative
false
null
0
0.836977
0.836977
true
[ "metallic" ]
null
mp-1185568
[ "Mg", "Pt" ]
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150
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{ "a": 15.933708190917969, "b": 15.933708190917969, "c": 15.644064903259277, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Pt
hard_negative
false
null
0.018
0.00812
-0.00686
false
null
null
mp-1185570
[ "Mg", "Pb" ]
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150
2
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187
Mg149Pb
general_inorganic
false
null
0.383
0.001795
0.001068
false
null
null
mp-1185573
[ "Mg", "Au" ]
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150
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{ "a": 15.872466087341309, "b": 15.872466087341309, "c": 15.575822830200195, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Au
general_inorganic
false
null
0.5613
0.006376
-0.004093
false
null
null
mp-1185578
[ "Mg", "S" ]
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150
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{ "a": 15.839529991149902, "b": 15.839529991149902, "c": 15.44289493560791, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149S
hard_negative
false
null
0
0.020655
-0.001504
true
[ "sulfide", "metallic" ]
null
mp-1185579
[ "Mg", "Hg" ]
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150
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{ "a": 15.917248725891113, "b": 15.917248725891113, "c": 15.598557472229004, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Hg
general_inorganic
false
null
0.5682
0.002841
-0.00068
false
null
null
mp-1185580
[ "Mg", "Pd" ]
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150
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{ "a": 15.882328987121582, "b": 15.882328987121582, "c": 15.61148452758789, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Pd
hard_negative
false
null
0.0141
0.006379
-0.004254
false
null
null
mp-1185581
[ "Mg", "Cd" ]
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150
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{ "a": 15.860424041748047, "b": 15.860424041748047, "c": 15.429569244384766, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Cd
hard_negative
false
null
0
0.002508
0.001151
true
[ "metallic" ]
null
mp-1185582
[ "Mg", "Rh" ]
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150
2
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{ "a": 15.899989128112793, "b": 15.899989128112793, "c": 15.660700798034668, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Rh
hard_negative
false
null
0.0442
0.008089
-0.001472
false
null
null
mp-1185583
[ "Mg", "Re" ]
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150
2
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{ "a": 15.946184158325195, "b": 15.946184158325195, "c": 15.652750015258789, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Re
general_inorganic
false
null
0.1108
0.015689
0.015689
false
null
null
mp-1185584
[ "Mg", "Cl" ]
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150
2
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{ "a": 15.858648300170898, "b": 15.858648300170898, "c": 15.477484703063965, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Cl
hard_negative
false
null
0
0.019864
-0.002691
true
[ "halide", "metallic" ]
null
mp-1185585
[ "Mg", "Cr" ]
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150
2
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{ "a": 15.930519104003906, "b": 15.930519104003906, "c": 15.621058464050293, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Cr
hard_negative
false
null
0.0245
0.010655
0.010655
false
null
null
mp-1185586
[ "Be", "Mg" ]
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150
2
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{ "a": 15.889296531677246, "b": 15.889296531677246, "c": 15.571816444396973, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Be
general_inorganic
false
null
0.5261
0.011579
0.011579
false
null
null
mp-1185589
[ "Mg", "Nb" ]
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150
2
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{ "a": 15.937373161315918, "b": 15.937373161315918, "c": 15.603437423706055, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Nb
general_inorganic
false
null
0.1185
0.013537
0.013537
false
null
null
mp-1185590
[ "Mg", "I" ]
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{ "a": 15.918898582458496, "b": 15.918898582458496, "c": 15.601034164428711, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149I
hard_negative
false
null
0.0025
0.018919
0.005881
false
[ "halide" ]
null
mp-1185591
[ "Mg", "Ag" ]
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150
2
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{ "a": 15.888665199279785, "b": 15.888665199279785, "c": 15.596628189086914, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Ag
general_inorganic
false
null
0.5665
0.004165
0.001092
false
null
null
mp-1185592
[ "Mg", "Fe" ]
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150
2
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{ "a": 15.938570022583008, "b": 15.938570022583008, "c": 15.675762176513672, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Fe
hard_negative
false
null
0.0779
0.015587
0.015587
false
null
null
mp-1185593
[ "Mg", "P" ]
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150
2
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{ "a": 15.950648307800293, "b": 15.950648307800293, "c": 15.589478492736816, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149P
hard_negative
false
null
0.0003
0.016018
0.005223
false
null
null
mp-1185594
[ "Mg", "In" ]
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150
2
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{ "a": 15.965272903442383, "b": 15.965272903442383, "c": 15.608602523803711, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149In
general_inorganic
false
null
0.5296
0.002013
0.000033
false
null
null
mp-1185595
[ "Mg", "Lu" ]
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150
2
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{ "a": 16.009462356567383, "b": 16.009462356567383, "c": 15.644166946411133, "alpha": 90, "beta": 90, "gamma": 120 }
187
LuMg149
general_inorganic
false
null
0.3255
0.004377
0.003969
false
null
null
mp-1185596
[ "Mg", "Al" ]
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150
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{ "a": 15.919445991516113, "b": 15.919445991516113, "c": 15.573014259338379, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Al
general_inorganic
false
null
0.5011
0.002905
0.002754
false
null
null
mp-1185597
[ "Mg", "Ga" ]
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150
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{ "a": 15.898945808410645, "b": 15.898945808410645, "c": 15.541425704956055, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Ga
general_inorganic
false
null
0.4779
0.003427
0.000926
false
null
null
mp-1185599
[ "Mg", "Ni" ]
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150
2
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{ "a": 15.905475616455078, "b": 15.905475616455078, "c": 15.63717269897461, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Ni
hard_negative
false
null
0.0151
0.008655
0.005594
false
null
null
mp-1185627
[ "Mg", "Mn" ]
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150
2
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{ "a": 15.886515617370605, "b": 15.886515617370605, "c": 15.621068954467773, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Mn
general_inorganic
false
null
0.1095
0.018153
0.018153
false
null
null
mp-1185628
[ "Mg", "Sb" ]
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150
2
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{ "a": 15.986664772033691, "b": 15.986664772033691, "c": 15.623936653137207, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Sb
general_inorganic
false
null
0.2668
0.00721
0.000074
false
null
null
mp-1185631
[ "Mg", "Sc" ]
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150
2
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{ "a": 15.94400405883789, "b": 15.94400405883789, "c": 15.587414741516113, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Sc
general_inorganic
false
null
0.2496
0.00423
0.00379
false
null
null
mp-1185632
[ "Mg", "Se" ]
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{ "a": 15.909944534301758, "b": 15.909944534301758, "c": 15.585241317749023, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Se
general_inorganic
false
null
0.1711
0.016726
-0.002932
false
null
null
mp-1185634
[ "Mg", "Si" ]
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150
2
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{ "a": 15.938611030578613, "b": 15.938611030578613, "c": 15.53911304473877, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Si
general_inorganic
false
null
0.3404
0.008034
0.005862
false
null
null
mp-1185635
[ "Mg", "Tl" ]
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150
2
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{ "a": 15.914532661437988, "b": 15.914532661437988, "c": 15.56078052520752, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Tl
general_inorganic
false
null
0.4888
0.001808
0.001435
false
null
null
mp-1185636
[ "Mg", "Tc" ]
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{ "a": 15.920588493347168, "b": 15.920588493347168, "c": 15.633214950561523, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Tc
hard_negative
false
null
0.0973
0.011314
0.011314
false
null
null
mp-1185637
[ "Mg", "Sn" ]
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150
2
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{ "a": 15.933357238769531, "b": 15.933357238769531, "c": 15.547933578491211, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Sn
general_inorganic
false
null
0.4181
0.002876
-0.000466
false
null
null
mp-1185638
[ "Mg", "Te" ]
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150
2
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{ "a": 15.904766082763672, "b": 15.904766082763672, "c": 15.573246955871582, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Te
general_inorganic
false
null
0.1529
0.013478
-0.00081
false
null
null
mp-1185639
[ "Mg", "Ti" ]
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150
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{ "a": 15.904491424560547, "b": 15.904491424560547, "c": 15.583817481994629, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Ti
general_inorganic
false
null
0.2003
0.00961
0.00961
false
null
null
mp-1185640
[ "Mg", "Ta" ]
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150
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{ "a": 15.940871238708496, "b": 15.940871238708496, "c": 15.623785018920898, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Ta
general_inorganic
false
null
0.1461
0.016626
0.016626
false
null
null
mp-1185641
[ "Mg", "V" ]
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150
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{ "a": 15.911035537719727, "b": 15.911035537719727, "c": 15.591567993164062, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149V
hard_negative
false
null
0.0807
0.011511
0.011511
false
null
null
mp-1185642
[ "Mg", "Zn" ]
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150
2
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{ "a": 15.961509704589844, "b": 15.961509704589844, "c": 15.631200790405273, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Zn
general_inorganic
false
null
0.578
0.003682
0.002266
false
null
null
mp-1185655
[ "Mg", "Zr" ]
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150
2
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{ "a": 15.919815063476562, "b": 15.919815063476562, "c": 15.598440170288086, "alpha": 90, "beta": 90, "gamma": 120 }
187
Mg149Zr
hard_negative
false
null
0.0334
0.008664
0.008664
false
null
null
mp-1185885
[ "Mg", "Hg" ]
[ 12, 80, 80, 80, 80, 80 ]
6
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.5 ], [ 0.6666666865348816, 0.3333333432674408, 0.8263329863548279 ], [ 0, 0, 0 ], [ 0.6666666865348816, 0.3333333432674408, 0.17366699874401093 ], [ 0, 0, 0.3485189974308014 ], [ 0, 0, 0.6514809727668762 ] ]
{ "a": 3.7080600261688232, "b": 3.7080600261688232, "c": 13.158085823059082, "alpha": 90, "beta": 90, "gamma": 120 }
187
MgHg5
hard_negative
false
null
0
0.060144
-0.005599
true
[ "metallic" ]
null
mp-1185913
[ "Mg", "In" ]
[ 12, 12, 49, 49, 49, 49 ]
6
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.34202054142951965 ], [ 0.6666666865348816, 0.3333333432674408, 0.6579794883728027 ], [ 0, 0, 0.8212035894393921 ], [ 0.6666666865348816, 0.3333333432674408, 0 ], [ 0, 0, 0.1787964403629303 ], [ 0, 0, 0.5 ] ]
{ "a": 3.365807294845581, "b": 3.365807294845581, "c": 15.019987106323242, "alpha": 90, "beta": 90, "gamma": 120 }
187
MgIn2
hard_negative
false
null
0
0.033977
-0.016698
true
[ "metallic" ]
null
mp-1185966
[ "Mg", "Sc" ]
[ 12, 21, 21, 21 ]
4
2
[ [ 0, 0, 0.5 ], [ 0.3333333432674408, 0.6666666865348816, 0.753680408000946 ], [ 0, 0, 0 ], [ 0.3333333432674408, 0.6666666865348816, 0.24631957709789276 ] ]
{ "a": 3.2807328701019287, "b": 3.2807328701019287, "c": 10.645121574401855, "alpha": 90, "beta": 90, "gamma": 120 }
187
MgSc3
hard_negative
false
null
0
0.053782
0.032254
true
[ "metallic" ]
null
mp-1185999
[ "Mg", "Pb" ]
[ 12, 12, 82, 82, 82, 82 ]
6
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.34141331911087036 ], [ 0.6666666865348816, 0.3333333432674408, 0.6585866808891296 ], [ 0, 0, 0.8145848512649536 ], [ 0.6666666865348816, 0.3333333432674408, 0 ], [ 0, 0, 0.18541516363620758 ], [ 0, 0, 0.5 ] ]
{ "a": 3.498784065246582, "b": 3.498784065246582, "c": 15.77626895904541, "alpha": 90, "beta": 90, "gamma": 120 }
187
MgPb2
hard_negative
false
null
0
0.036564
0.018377
true
[ "metallic" ]
null