mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
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-1184012
-5.192391
-7.354762
3.782474
other
Cs1Yb3
4
225
202.58
mp-1186105
-6.378152
-8.083057
5.483505
other
Na1Ac3
4
225
176.09
mp-1185924
-6.718041
-0.552703
3.854159
other
Mn3Re1
4
225
49.33
mp-974739
-4.264362
-7.036222
1.514831
other
Rb3Tl1
4
225
237.08
mp-542758
-7.32973
0.850757
3.743712
other
Fe23B6
29
225
302.93
mp-1008833
1.62702
1.704348
2.160408
other
Np1N2
3
225
35.64
mp-973203
-5.91343
-4.890115
0.631649
other
Sb3Mo1
4
225
89.28
mp-974810
-4.263439
-6.927361
1.841334
other
Rb3Ru1
4
225
184.65
mp-36891
1.349415
2.277434
-3.426309
other
Br3N1
4
225
83.1
mp-1611
11.857503
8.880383
1.598859
other
Sm1O1
2
225
30.63
mp-1183494
-5.284023
-7.365224
4.263651
other
Ca3Sm1
4
225
154.11
mp-722819
-4.018086
-6.108308
2.66991
other
K1C1
2
225
59.15
mp-1187036
-7.281777
-5.258143
2.474146
other
Sn3Rh1
4
225
88.83
mp-1009694
0.822299
1.945839
2.411503
other
Re1N1
2
225
20.69
mp-979940
-5.751669
-7.273914
4.714388
other
Yb3Zr1
4
225
128.79
mp-567465
-4.417432
-5.593964
2.731962
other
Tl1C1
2
225
31.86
mp-286
-4.385067
-3.909982
-3.704857
other
Yb1Se1
2
225
51.76
mp-1187307
-7.460668
-6.635912
6.9499
other
Tb3V1
4
225
110.08
mp-973402
-7.339117
-4.097368
1.117053
other
Sb1Pd3
4
225
65.16
mp-10622
-5.559712
-4.158473
0.475854
other
Pr1As1
2
225
56.64
mp-1185977
-5.455907
-3.595227
3.591105
other
Mg1Ta3
4
225
74.15
mp-1009756
-5.832195
-7.276427
3.338236
other
Ca2Pb1
3
225
109.88
mp-2281
-6.211314
-5.0417
1.910083
other
Sm1Sb1
2
225
63.23
mp-2566
-5.883448
-4.449384
1.770661
other
Pu1Sb1
2
225
62.46
mp-1192854
-9.223424
-6.39294
4.638146
other
Y6Zn23
29
225
496.9
mp-1009539
-5.273296
-0.395738
3.202554
other
Os1C1
2
225
20.75
mp-1094270
-4.889507
-7.45795
3.597544
other
Sr3Mg1
4
225
175.76
mp-1784
8.293109
0.70689
1.224002
other
Cs1F1
2
225
54.33
mp-2489
-2.643947
-0.063624
2.600085
other
U1C1
2
225
30.07
mp-12874
-5.945205
-2.01408
5.183894
other
Si2Ru1
3
225
45.88
mp-865907
-9.13361
-5.961957
3.714579
other
Li1Zn3
4
225
54.6
mp-1186882
-3.935249
-7.088514
2.404133
other
Rb3Zr1
4
225
237.69
mp-1184598
-7.897089
-1.681485
4.5935
other
H1Os3
4
225
51.69
mp-2086
-4.241204
-2.385609
-2.49973
other
Pu1S1
2
225
44.71
mp-574283
-5.631367
-4.005786
-1.223706
other
Gd1Te1
2
225
60.33
mp-975013
-3.828645
-7.073342
2.109617
other
Rb3Dy1
4
225
264.04
mp-1186023
-4.038822
-3.59954
1.079893
other
Mo1P3
4
225
55.71
mp-10635
-5.853563
-5.761369
0.786311
other
Sn1Sb1
2
225
57.83
mp-999296
-8.026035
-4.245381
1.770751
other
Pd3N1
4
225
55.16
mp-1009079
-6.471652
-2.589556
-1.793775
other
Cr1Te1
2
225
46.81
mp-1001600
-3.631552
1.738959
2.823646
other
Hf1B12
13
225
100.09
mp-988940
-4.684381
-4.755462
0.388821
other
Al1As1
2
225
37.15
mp-345
-4.359046
0.367175
3.273494
other
Hf1B1
2
225
28.31
mp-1185072
-4.48927
-7.308867
3.225082
other
K1Ba3
4
225
270.04
mp-1580
0.50582
1.449505
2.88509
other
Nb1N1
2
225
22.07
mp-19962
-7.60199
-4.389459
2.472861
other
Sn2Pt1
3
225
68.22
mp-1103476
-3.578722
1.820509
2.883476
other
Dy1B12
13
225
104.93
mp-1186018
-5.568349
-7.243145
2.8856
other
Na3Au1
4
225
94.51
mp-1183881
-2.930066
-8.136809
2.486538
other
Eu1Cr3
4
225
85.08
mp-1185191
-5.735518
-6.865344
3.843052
other
Li3Pm1
4
225
96.7
mp-1184861
-3.864445
-7.112305
2.24568
other
K3Be1
4
225
180.26
mp-1185115
-5.145128
-7.44808
3.551697
other
K1Eu3
4
225
203.08
mp-2379
-6.288553
-1.502771
4.060929
other
Co1Si2
3
225
37.49
mp-1194143
-8.021479
-4.493378
5.0806
other
Sc22Ru8
30
225
595.94
mp-1038831
-6.979567
-9.610846
2.832346
other
Mg3Bi1
4
225
103.15
mp-8289
8.624463
1.720529
1.022438
other
Sn2F6
8
225
164.51
mp-2286
-4.835384
-2.750052
-3.901937
other
Li2Se1
3
225
52.72
mp-23903
3.167634
0.10518
-2.278422
other
H1Br1
2
225
29.26
mp-1187642
-5.225008
-3.768602
3.491251
other
U3Cd1
4
225
84.05
mp-2154
-4.062722
-3.98707
0.7554
other
Ce1P1
2
225
51.99
mp-21075
-3.127145
-0.08069
2.80615
other
Hf1C1
2
225
24.88
mp-1078988
-7.93021
-10.893345
5.959171
other
Mg7V1
8
225
165.96
mp-2774343
-4.823024
-7.265584
3.189818
other
Na3Be1
4
225
103.24
mp-1104066
-3.567374
1.830746
2.899221
other
Tb1B12
13
225
105.38
mp-568059
-6.88182
-5.816811
3.320151
other
Lu1Bi1
2
225
59.7
mp-1186399
-6.07607
-5.287123
5.278333
other
Pa3Re1
4
225
87.65
mp-1184218
-7.695206
-4.444229
3.92209
other
Ga3Pt1
4
225
67.87
mp-1008929
0.194225
2.758754
1.763337
other
Fe1N1
2
225
16.98
mp-1546
-7.995029
-9.407903
6.880108
other
Dy1Mg3
4
225
96.22
mp-919
-5.853824
-4.080187
-1.109091
original
Ho1Te1
2
225
57.07
mp-645
-4.070154
-3.883628
0.885715
other
Tb1P1
2
225
46.21
mp-1061865
2.416461
2.570278
0.741678
other
Te1N2
3
225
36.78
mp-10709
-4.090278
-0.186582
2.949683
other
Re1C1
2
225
20.76
mp-1065
-5.863794
-4.903902
1.230718
other
La1Sb1
2
225
70.65
mp-1186580
-7.922643
-8.164454
2.909549
other
Pm1Hg3
4
225
96.25
mp-24092
2.966666
-0.540074
-1.839909
other
Gd1H2
3
225
36.97
mp-6933
0.31983
2.501287
2.135435
other
Mn1N1
2
225
17.71
mp-1103809
-3.604637
1.819656
2.909735
other
Np1B12
13
225
104.93
mp-975219
-4.642552
-7.593476
3.222092
other
Rb1Sr3
4
225
245.16
mp-1192884
-7.256205
0.73156
3.535283
other
Fe23C6
29
225
284.93
mp-998987
-5.647447
-2.907377
3.718112
other
Ti3Ge1
4
225
64.11
mp-1009769
0.711384
2.265853
1.863698
other
Ru1N1
2
225
20.36
mp-642322
-5.661462
-7.234207
3.576526
other
Sr22In14
36
225
1,415.43
mp-957
-4.448944
-2.388175
-4.066822
other
Hg1Se1
2
225
49.01
mp-21152
-6.018457
-4.754852
2.996209
other
Pu2Mg1
3
225
97.58
mp-2735
11.585962
8.390172
1.420642
other
Pa1O1
2
225
30.1
mp-1102
2.026108
1.60583
2.009755
other
Lu1N1
2
225
26.35
mp-24289
2.593986
-0.465444
-1.887886
other
H1Pd1
2
225
17.33
mp-1187403
-9.101526
-6.289727
2.555236
other
Th1Au3
4
225
86.76
mp-10064
12.35296
8.427391
-0.530525
other
Si1O2
3
225
24.06
mp-10688
11.839165
8.856554
1.956263
other
Ce1O1
2
225
30.62
mp-973278
-4.737659
-7.636335
3.297178
other
K1Sr3
4
225
234.63
mp-1811
-5.781927
-3.445206
-2.671932
other
Hg1Te1
2
225
58.27
mp-1252369
-4.878786
-3.447943
6.056111
other
Si3Os1
4
225
54.68
mp-21394
9.89247
8.813054
2.102584
other
Eu1O1
2
225
32.83
mp-22903
-1.153302
2.894191
-2.777948
other
Rb1I1
2
225
100.58
mp-2520
-6.570224
-5.24206
2.73233
other
Tm1Sb1
2
225
57.29
mp-24151
2.922941
-0.45427
-1.810464
other
Dy1H2
3
225
34.73
mp-1186998
-8.015737
-5.855991
2.242805
other
Si1Au3
4
225
70.95
mp-571222
-0.269716
1.679338
-4.784099
other
Cs1Br1
2
225
98.14