mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
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-763353
7.626357
6.743623
-1.569293
other
Fe4O5F3
12
44
136.42
mp-1215692
-7.726416
-4.198465
3.525737
other
Yb4Ge8Pt4
16
44
316.93
mp-1219048
-8.058261
-2.310389
4.732412
other
Sm1Ga7Co5
13
44
189.13
mp-13089
-6.076205
-3.119019
-2.243763
original
Cu2Sn1Te3
6
44
176.51
mp-675692
12.390729
12.081713
1.844673
other
Li1Ti2O4
7
44
71.16
mp-773982
12.21084
11.468637
0.29264
other
Mg3Fe4O7
14
44
142.48
mp-1217545
-7.612682
0.924972
4.70765
other
Tb1Fe11Mo1
13
44
170.45
mp-757165
-4.320676
-1.1677
-5.512426
other
Li5Fe1S4
10
44
167.77
mp-1217548
-7.599535
0.742705
4.657848
other
Tb1Fe11Re1
13
44
170.05
mp-1219150
-8.73865
-5.502703
3.601453
other
Sm1In7Cu5
13
44
251.07
mp-1216319
-8.269513
-4.126769
5.074159
other
U1Al7Cu5
13
44
191.03
mp-2219285
-5.329523
-0.068412
-5.683869
other
Mg1Cr4S8
13
44
301.16
mp-1219185
-4.732931
-4.237334
6.113015
other
Sm2Si3Ge1
6
44
125.13
mp-1222165
-6.481973
-0.15274
3.580752
other
Mn23B2C4
29
44
283.71
mp-1216978
-8.684798
-5.459576
3.634903
other
Tm1In7Cu5
13
44
250.6
mp-2646946
3.753945
0.272577
-2.016912
other
Er3B3H12
18
44
133.56
mp-1225090
-5.408183
-0.725803
-4.466242
other
Fe4Ni4S8
16
44
368.01
mp-1215844
-7.630908
0.941739
4.808204
other
Y1V1Fe11
13
44
167.79
mp-1217433
-5.578448
-3.663955
-0.943626
other
Tb1U1Te4
6
44
187.41
mp-570947
-8.396183
-6.149003
2.860943
other
Yb6Sn6Au6
18
44
431.27
mp-10443
-5.267715
-4.422656
4.759677
other
Yb2Si2Au2
6
44
119.9
mp-9293
-8.010994
-6.301156
3.060543
other
Eu2Ge2Au2
6
44
134.1
mp-915280
-7.737859
-3.476606
4.801235
other
Sc9Ni5Ge8
22
44
373.5
mp-1224104
-7.608334
0.888559
4.926864
other
Ho1Ti1Fe11
13
44
169.65
mp-690535
11.828519
11.284734
-2.005297
other
Na1W2O6
9
44
119.49
mp-1217136
-7.670475
-3.209904
5.132961
other
Ti8Al15Rh7
30
44
448.62
mp-2647094
3.657088
0.262955
-1.951986
other
Lu3B3H12
18
44
128.14
mp-33797
7.579594
11.120378
-0.340772
other
Sr1Ru2O6
9
44
115.62
mp-1224680
11.090327
8.411462
2.589078
other
Gd2Sb1O2
5
44
102.16
mp-1225096
-5.283647
1.108608
-4.430468
other
Ga4Mo12S24
40
44
732.69
mp-980202
-8.334636
-4.809458
3.333587
other
Tm6Ge6Pd6
18
44
337.11
mp-1220507
-7.631981
-0.122123
4.761626
other
Nd1Ga7Fe5
13
44
193.87
mp-1191628
1.30037
3.254414
-5.01014
other
P1W6Cl17
24
44
587.47
mp-1216854
-6.955383
-1.557219
5.543453
other
U1Mn5Al7
13
44
189.36
mp-1217523
-8.686855
-5.452874
3.60423
other
Tb1In7Cu5
13
44
252.92
mp-1223926
11.288146
8.139853
2.79191
other
Ho2Sb1O2
5
44
98.09
mp-1225444
-5.563627
-3.634111
-0.91383
other
Er1U1Te4
6
44
185.03
mp-1215612
-7.128635
-0.234115
5.423054
other
Yb1Al7Fe5
13
44
186
mp-1220236
-5.026444
-4.299666
6.1094
other
Nd3Si3Ni1
7
44
157.07
mp-1219042
-7.952703
-0.343698
4.347215
other
Sm1Mn5Co7
13
44
160.84
mp-1226876
-7.439503
-4.107098
4.89386
other
Ce2Ge3Rh1
6
44
130.43
mp-1103526
10.191271
7.226346
-2.067251
other
Zn4Si2O9
15
44
238.06
mp-1217222
-7.010935
-1.744572
4.011711
other
Ti12Co6Ni6
24
44
325.16
mp-1223779
-7.006959
-0.271244
5.372523
other
Ho1Al7Fe5
13
44
187.03
mp-1223188
-5.059237
-4.280872
5.992913
other
La3Si3Ni1
7
44
163.61
mp-755470
-3.790443
-1.663032
-5.385759
other
Li2Bi1S2
5
44
109.64
mp-674310
-5.645901
-1.963491
-4.014403
other
Cr4Cu3Se8
15
44
297
mp-1220632
-7.850326
-5.005486
4.968435
other
Nd4Ga17Ni2
23
44
446.67
mp-675475
-0.579175
1.223923
-4.550945
other
Li2Mn1Br4
7
44
167.8
mp-1219183
-4.941275
-4.142562
5.904707
other
Sm2Si3Pt1
6
44
121.43
mp-1212830
-7.761758
-6.455943
6.220718
other
Dy7Te2Pd2
11
44
299.43
mp-12806
-6.151746
-2.924384
-2.224313
other
Cu2Ge1Te3
6
44
160.75
mp-1097778
11.976478
10.037502
2.400679
other
Sr4Ti4O10
18
44
248.6
mp-1222151
3.223688
-0.801053
-2.121733
other
Mg2Ni1H4
7
44
65.64
mp-1225573
-5.547044
-3.647253
-0.981677
other
Dy1U1Te4
6
44
186.71
mp-1225727
-7.618042
0.895053
4.936277
other
Dy1Ti1Fe11
13
44
169.43
mp-753081
8.207987
11.2017
-0.329178
other
Li3Cu4O4
11
44
136.98
mp-11753
-7.966549
-6.31101
6.20653
original
Lu7Te2Pd2
11
44
279.16
mp-1225641
-7.020685
-0.24004
5.34835
other
Er1Al7Fe5
13
44
187.45
mp-768276
9.902246
13.009951
-0.74849
other
In1Fe17O24
42
44
468.15
mp-1219022
-7.601781
0.907591
4.968404
other
Sm1Ti1Fe11
13
44
172.05
mp-1178359
10.966868
9.575651
3.709452
other
Dy1Zr4O9
14
44
173.93
mp-2218937
12.767968
13.32376
-1.042423
other
Mg1V4O8
13
44
153.66
mp-2233563
8.29814
8.784741
-0.794948
other
Mg1Bi4O8
13
44
234.91
mp-1226606
-7.926408
-0.359123
4.345716
other
Ce1Mn5Co7
13
44
160.42
mp-1101470
12.48963
11.322507
1.955849
other
Na1Ti2O4
7
44
86.64
mp-2224259
12.847051
10.812277
1.868358
other
Mg1Ti2O4
7
44
75.79
mp-1222470
-6.987174
-0.232662
5.318266
original
Lu1Al7Fe5
13
44
185.04
mp-1216176
-7.545332
0.635164
4.708027
other
Y1Cr3Fe9
13
44
164.7
mp-1385807
0.991749
2.219463
1.454237
other
Ca3Fe2N4
9
44
147.03
mp-1227242
-8.664098
-5.460134
3.736224
other
Ce1In7Cu5
13
44
253.04
mp-752974
13.867789
11.80456
-2.241296
other
V4O4F8
16
44
222.71
mp-1176591
6.41659
4.883993
-4.583952
other
Li1N1O2
4
44
42.5
mp-2355707
-1.485481
1.406899
-2.721946
other
Nb4Se4I4
12
44
329.57
mp-1245640
-0.127147
1.438085
-4.294031
original
Pb4S1Br6
11
44
360.82
mp-1210473
9.918706
0.882705
1.37324
other
Na4Fe4F14
22
44
303.55
mp-1106394
-8.355125
-4.920619
3.356684
other
Er6Ge6Pd6
18
44
348.06
mp-34381
8.712863
1.047943
-4.176178
other
H4I1N1
6
44
96.48
mp-1226542
-9.260367
-5.07907
4.462409
other
Ce1Y1Cu4
6
44
108.95
mp-1217593
-7.012169
-0.243669
5.3663
other
Tb1Al7Fe5
13
44
188.14
mp-1219833
-5.048012
-4.257316
6.114988
other
Pr3Si3Ni1
7
44
157.67
mp-30200
8.723539
4.09759
-6.601309
other
Bi2C1O5
8
44
113.78
mp-1217321
-5.385748
-3.896597
5.807197
other
Th2Fe1Si3
6
44
120.76
mp-2647009
3.956411
0.317531
-2.068256
other
Tb3B3H12
18
44
139.98
mp-37950
12.735846
10.075534
0.216694
other
Na3W4O6
13
44
225.44
mp-1219767
-7.579628
0.878832
4.991918
other
Pr1Ti1Fe11
13
44
173.53
mp-755810
10.595695
9.804413
3.954522
other
Eu1Zr4O9
14
44
179.43
mp-1216729
-8.817719
-4.386384
3.688387
other
U1Cu3Pd2
6
44
95.62
mp-1216725
-8.19398
-4.366371
2.590459
other
U1Pt2Au3
6
44
115.07
mp-1176979
-4.246233
-1.316347
-5.507608
other
Li6Fe1S4
11
44
160.34
mp-1225070
-4.896738
-4.136461
6.019006
other
Er2Cu1Si3
6
44
108.48
mp-35035
4.184875
2.36102
-2.972732
other
K1C1N1
3
44
67.09
mp-753479
9.356251
13.723028
-0.854486
other
Mn3Fe3O8
14
44
155.31
mp-1226262
-5.143517
0.478922
3.365188
other
Cr1Re3B4
8
44
78.68
mp-760533
10.972755
9.595039
3.685919
other
Sm1Zr4O9
14
44
176.19
mp-1226837
-6.098202
-3.492914
-2.352004
other
Cd4Te5Pb1
10
44
375.93
mp-752492
12.613024
-1.129402
0.99739
other
Mn4O3F5
12
44
145.51
mp-754306
10.03758
8.637029
3.112635
other
Ce4Sm1O9
14
44
209.84
mp-1217295
-5.390316
-3.87283
5.823854
other
Th2Si3Ru1
6
44
123.45
mp-568724
-8.034356
-4.898701
3.044406
other
Yb6Ge6Pd6
18
44
355.02