mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
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23.9
z
float64
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7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-676011
-3.753773
-5.00793
5.988401
other
Si8
8
1
159.13
mp-1244924
-5.38539
-3.01505
3.84526
other
Ti100
100
1
1,762.71
mp-1244964
5.683902
2.482762
-3.093549
other
C100
100
1
1,126.92
mp-1245266
-9.227078
-5.726796
3.247178
other
Zn100
100
1
1,623.35
mp-1244971
-3.908872
-4.909875
5.917186
other
Si100
100
1
1,921.07
mp-1245170
-5.387945
-3.018517
3.843492
other
Ti100
100
1
1,758.64
mp-988210
-3.344967
-5.388734
6.184996
other
Si8
8
1
174.11
mp-1244987
-9.226946
-5.72699
3.256314
other
Zn100
100
1
1,613.04
mp-1245152
-5.887335
-4.376251
5.774209
other
Al100
100
1
1,756.58
mp-1245307
-5.894046
-4.386994
5.773671
other
Al100
100
1
1,766.76
mp-1245129
-5.888007
-4.37042
5.773867
other
Al100
100
1
1,756.61
mp-1245164
-5.399335
-3.036566
3.847036
other
Ti100
100
1
1,751.28
mp-1245190
5.69635
2.483246
-3.052227
other
C100
100
1
1,118.18
mp-1245184
-9.227926
-5.717794
3.226805
other
Zn100
100
1
1,602.15
mp-656615
-4.076876
-7.024841
1.59955
other
Rb8
8
1
719.91
mp-1245320
-5.395043
-3.028127
3.84543
other
Ti100
100
1
1,754
mp-1244933
-3.845842
-4.89965
5.910958
other
Si100
100
1
1,793.76
mp-1245041
-3.907216
-4.914943
5.916269
other
Si100
100
1
1,918.19
mp-1245067
-5.941368
-4.436672
5.764022
other
Al100
100
1
1,792
mp-1180008
6.631448
5.802835
-3.875507
other
O12
12
1
199.45
mp-1403870
-3.388442
-5.314059
6.212712
other
Si8
8
1
174.11
mp-1197903
5.207476
2.607605
-3.232055
other
C80
80
1
1,547.57
mp-1245108
-7.500321
0.619505
4.212301
other
Fe100
100
1
1,164.17
mp-1244913
5.637559
2.513056
-3.172568
other
C100
100
1
1,190.35
mp-1180064
6.722251
5.838466
-3.739612
other
O10
10
1
159.27
mp-1244953
-5.906042
-4.384569
5.768748
other
Al100
100
1
1,768.83
mp-640416
-4.074524
-7.018477
1.599923
other
Rb8
8
1
756.93
mp-1245093
-9.22872
-5.725765
3.247705
other
Zn100
100
1
1,614.92
mp-1245242
-3.897347
-4.914813
5.907288
other
Si100
100
1
1,915.22
mp-644693
-3.851998
-4.979893
6.015456
other
Si8
8
1
174.11
mp-632401
-3.312811
1.685406
2.850348
other
B12
12
1
94.79
mp-1120447
-3.91297
-4.933682
5.853625
other
Si8
8
1
163.07
mp-1245006
-5.399287
-3.035233
3.849385
other
Ti100
100
1
1,744.32
mp-1179802
-4.072786
-7.020932
1.602262
other
Rb8
8
1
744.49
mp-1094120
-5.58673
-2.680017
3.553126
other
Nb12
12
1
226.84
mp-1244990
-3.824438
-4.903889
5.900984
other
Si100
100
1
1,750.97
mp-1182070
-6.351926
-5.596401
0.418533
other
Bi4
4
11
141.83
mp-1067758
-6.358073
-5.589118
0.408565
other
Bi4
4
11
140.27
mp-567379
-6.36536
-5.593896
0.434416
other
Bi4
4
11
140.05
mp-613989
-5.81412
-4.703191
4.090385
other
Pu16
16
11
267.02
mp-632286
-5.763904
-5.016408
0.461356
other
Sb2
2
11
60.57
mp-2647017
5.686759
2.09532
-2.781786
other
C20
20
11
238.52
mp-1179605
-5.786907
-4.993064
0.477812
other
Sb2
2
11
59.81
mp-567409
-5.662532
-5.109152
0.435094
other
Sb4
4
11
127.4
mp-42
-5.541758
-2.787883
3.569311
other
Ta30
30
113
554.65
mp-1056831
6.989387
5.671154
-3.752638
other
O1
1
10
21.65
mp-1191581
-6.061368
-0.919671
3.915391
other
W25
25
10
452.15
mp-1182029
4.653963
2.584161
-3.24947
other
C8
8
10
115.84
mp-1056079
-2.648675
-8.535572
1.725829
other
Cu1
1
10
563.08
mp-1178801
-6.114585
-0.804235
3.872062
other
W20
20
10
350.47
mp-43
-5.182888
-3.643725
3.648878
other
U30
30
102
576.77
mp-1096992
-7.100762
-7.741042
1.633925
other
Hg4
4
122
139.33
mp-1076923
-2.070648
-7.85364
2.487469
other
Ta4
4
127
1,225.97
mp-1065697
6.326035
5.586957
-3.145157
other
O1
1
123
8.55
mp-1056059
6.440848
5.071737
-2.755811
other
O1
1
123
9.63
mp-1096977
5.036186
-0.389015
-2.892934
other
H1
1
123
6.88
mp-1182332
-4.792811
-4.676893
0.070175
other
As2
2
123
258.65
mp-1977763
-4.748649
-7.32132
3.552741
other
Ba1
1
123
57.68
mp-1179325
-4.886043
-7.605586
3.624226
other
Sr1
1
123
55.25
mp-1180991
-4.028724
-7.096614
1.810509
other
K5
5
123
429.61
mp-1056027
-3.961824
-7.13096
1.731106
other
K1
1
123
439.37
mp-1227541
-4.885211
-7.409512
3.460608
other
Ca1
1
123
292.37
mp-611836
6.393361
5.91316
-3.81887
other
O2
2
12
34.58
mp-1096915
-4.1151
-6.666453
1.443376
other
Cs1
1
12
115.62
mp-632329
5.591806
1.99769
-2.770905
other
C2
2
12
19.67
mp-570459
-5.837592
-3.133403
-1.712506
other
Te3
3
12
98.09
mp-1079297
-4.02194
-4.902289
5.721566
other
Si8
8
12
167.23
mp-12957
6.681518
5.664824
-3.600189
other
O8
8
12
107.64
mp-561367
8.243396
2.764242
-0.931252
other
F4
4
12
54.1
mp-1180307
-5.956044
-0.71558
3.421125
other
Mo16
16
12
264.97
mp-567332
-6.037381
-6.041205
5.676898
other
Ce2
2
12
50.8
mp-1238808
-8.597934
-5.907948
2.046453
other
Au2
2
12
39.1
mp-1059528
-7.053044
-6.936242
7.436242
other
Pr2
2
12
72.07
mp-1009490
6.40218
5.912556
-3.851716
other
O2
2
12
37.02
mp-23157
-6.371964
-5.580318
0.424414
other
Bi2
2
12
68.05
mp-12883
-3.462708
-3.794775
0.490717
other
P8
8
12
231.3
mp-569360
-7.268376
-7.615637
1.630103
other
Hg3
3
12
82.95
mp-1182248
-6.051615
-5.885787
0.622986
other
Bi2
2
12
753.54
mp-1182425
-3.301513
1.675984
2.949691
other
B12
12
12
121.22
mp-1080826
5.8041
2.110557
-2.36673
other
C8
8
12
46.96
mp-542606
-5.677159
-4.571049
3.510853
other
Pu17
17
12
378.74
mp-1104341
-5.637526
-2.528295
3.564655
other
Nb7
7
12
126.49
mp-1179990
-2.936642
-5.614079
1.129913
other
P2
2
12
350.92
mp-1064244
-7.316194
-5.583403
5.316954
other
Sc4
4
129
101.01
mp-723897
-3.30123
-5.528253
1.165271
other
P4
4
129
626.34
mp-7098
-4.592584
-4.777005
3.990032
other
Np4
4
129
72.45
mp-1190217
-5.926877
-0.719818
3.436149
other
Mo16
16
13
277.87
mp-729184
-3.134385
1.651023
2.789826
other
B40
40
13
688.85
mp-568348
-3.446531
-3.784598
0.493782
other
P84
84
13
1,935.12
mp-1180036
6.584067
5.556837
-3.460913
other
O4
4
13
43.56
mp-96
-2.412952
-0.224502
-4.62794
other
S32
32
13
899.2
mp-22046
-3.417889
1.817739
2.84252
other
B50
50
134
385.32
mp-570602
-3.29361
1.686619
2.828679
other
B50
50
134
374.02
mp-570316
-3.352531
1.762736
2.822428
other
B48
48
134
369.8
mp-672241
-4.121747
-6.663057
1.442384
other
Cs8
8
135
990.3
mp-93
-5.144844
-3.661445
3.662796
other
U30
30
136
608.67
mp-570747
3.83057
3.250267
-3.628538
other
N4
4
136
89.17
mp-1193227
-8.303451
-0.153784
3.793406
other
Co28
28
136
312.44
mp-1064933
-3.298397
-0.594933
-4.369799
other
S4
4
136
95.1
mp-1008501
-5.152274
-1.358969
4.660323
other
Be4
4
136
32.03