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-7157
-6.28742
-5.077212
5.193414
other
Tb1Al2Ge2
5
164
103.35
mp-1206599
-6.353187
-5.109491
5.220584
other
Sm1Al2Ge2
5
164
106.28
mp-1215641
-7.676425
-5.258965
4.052162
other
Yb2Cu2Ge2
6
164
121.99
mp-10401
8.59692
1.361067
0.875842
other
Tl2Sn1F6
9
164
150.21
mp-1246326
1.272995
1.744864
2.604442
other
Ti2Se1N2
5
164
65.35
mp-1232293
-5.979229
-6.265669
2.963537
other
Mg1Al2Sn2
5
164
124.95
mp-24105
10.744632
4.607039
-4.179143
other
Co1H2O2
5
164
42.64
mp-1215737
-2.161262
0.164001
2.464361
other
Zr4Al6C8
18
164
220.14
mp-9567
-5.306969
-6.087444
0.518525
other
Ba1Mg2Sb2
5
164
163.63
mp-30174
-6.515805
-2.708476
6.451342
other
Ca4Al51Cr7
62
164
1,019.26
mp-1104723
1.599078
2.245717
-3.53308
other
Bi2Br9N3
14
164
512.74
mp-19279
11.078958
12.431145
0.264919
other
Li2Mn1O2
5
164
45.65
mp-1096982
4.598946
1.342851
-2.257159
other
H2C2S1
5
164
39.38
mp-1207106
-4.500367
-4.665454
6.101202
other
Ce1Al2Si2
5
164
104.75
mp-10435
-4.326255
-4.738081
6.193831
other
Y1Al2Si2
5
164
99.98
mp-12908
-4.144826
-3.920742
-3.752456
other
Sc1Ag1Se2
4
164
87.32
mp-11620
-6.543914
-2.631405
1.004438
other
Zn1Ni3Sb2
6
164
94.74
mp-19341
11.466174
10.981296
-2.259092
other
Tl4W2O8
14
164
279.87
mp-554396
12.982802
6.997552
-0.433282
other
Mg4Si2O8
14
164
155.92
mp-1223867
-1.114772
2.595115
-2.769764
other
K3I2Br1
6
164
250.29
mp-755666
7.61817
8.499479
-1.048896
other
Yb2Te1O2
5
164
102.88
mp-831158
10.197212
0.993573
1.549972
other
Li12Mn3F18
33
164
334.61
mp-1206235
-0.241983
0.852863
-1.076465
other
Pr2Si2I2
6
164
184.31
mp-1245728
1.509923
1.723534
1.270561
other
Ba2Ca1N2
5
164
131.53
mp-1206551
-5.877881
-3.5882
-1.949449
other
Ge2Bi2Te5
9
164
286.53
mp-1247195
1.943639
2.06202
1.431186
other
Ba1Mg2N2
5
164
81.28
mp-1225540
-8.119357
-6.370561
4.973598
other
Er2Cd2In2
6
164
147.52
mp-1018693
3.022243
-0.306413
-2.364723
other
Eu2H3Cl1
6
164
95.09
mp-1176342
11.686875
12.324901
-2.713311
other
Na6V6O16
28
164
377.79
mp-10550
2.116108
2.033798
1.515918
other
Sr1Mg2N2
5
164
73.58
mp-769284
10.814983
7.93364
2.935265
other
Dy2Se1O2
5
164
85.95
mp-1206648
-5.951873
-3.551734
-1.749926
other
Tb1Cu1Te2
4
164
105.06
mp-1222177
-7.449947
-1.129148
4.708941
other
Nd18Mn49Ni20
87
164
1,443.2
mp-17754
10.034048
0.323331
-0.178968
other
Li6Mn3F18
27
164
293.3
mp-1185383
10.426928
10.593128
3.405442
other
Eu5Nb4O15
24
164
320.12
mp-1219324
-8.700612
-0.169995
4.527158
other
Sm4Zr2Co32
38
164
499.18
mp-11174
8.459647
1.218981
0.197159
other
K2Ir1F6
9
164
130.61
mp-1222980
-8.800835
-1.895936
3.464723
other
Lu6Ga6Ni12
24
164
361.45
mp-1215605
-7.573089
-6.391704
2.965289
other
Yb2Ag2Sn2
6
164
159.85
mp-1232396
-5.244319
-5.877246
0.479672
other
Mg1Al2Sb2
5
164
130.07
mp-1219082
-7.780548
-6.553002
3.831772
other
Sm2Ag2Sn2
6
164
156.64
mp-1217865
-6.040713
-1.784646
3.594609
other
Ta19Ni18Mo2
39
164
566.8
mp-1222781
-6.136313
-4.869411
1.014279
other
La2Sb2Pd2
6
164
157.17
mp-1218997
-6.217479
-4.689555
1.043654
other
Sm2Sb2Pd2
6
164
147.72
mp-1246232
1.140732
2.274955
1.446687
other
Ca1Pd2N2
5
164
67.13
mp-777529
9.981781
1.769218
0.707556
other
Li6V3F18
27
164
300.02
mp-1217215
-4.087673
-0.204586
-4.419369
other
Ti4Mn1S8
13
164
243.1
mp-22557
6.136201
11.385448
0.337549
other
Ba5Co5O14
24
164
331.11
mp-1224822
-4.888625
-2.486144
-4.545591
other
Ga4Se2S2
8
164
195.78
mp-1221867
10.227623
12.816588
-0.258384
other
Mn2Ni1O3
6
164
64.6
mp-1096822
-4.199776
-1.343727
-6.061982
other
Al4Zn2S8
14
164
306.43
mp-1215290
-7.182976
0.06005
4.797579
original
Zr2Nb2Fe8
12
164
168.99
mp-1221496
-6.278208
-0.340883
3.436674
other
Mo3Os3C2
8
164
102.08
mp-9384
-4.26627
-1.778399
-5.068448
other
Cs1Au3S2
6
164
180.33
mp-1206478
-3.333831
-4.278776
0.745173
other
Eu1Mg2P2
5
164
111.9
mp-15986
-3.869732
-3.724155
0.97789
other
Hf1Cu2P2
5
164
75.66
mp-505824
-0.482615
0.551404
-0.033897
other
Cs2Pd1C2
5
164
151.57
mp-22609
-3.50291
-4.372568
0.882864
other
Eu1Cd2P2
5
164
116.33
mp-7158
-6.237945
-5.161937
5.115153
other
Lu1Al2Ge2
5
164
99.54
mp-978854
3.155236
-0.600249
-2.264916
other
Sr1Ga2H2
5
164
78.34
mp-672350
1.813751
2.316271
1.905562
other
Zr2N2Cl2
6
164
120.31
mp-753946
-5.650695
-0.634599
-4.324179
other
Li2Co2S4
8
164
112.83
mp-7771
-4.917063
-5.233541
0.45811
other
Sr1Cd2As2
5
164
129.77
mp-541014
-1.336782
2.971083
-2.926837
other
Cs3Sb2I9
14
164
661.55
mp-634977
1.488657
2.660805
-5.799404
other
Cs3Fe2Cl9
14
164
420.77
mp-625548
11.123927
4.150494
-3.94991
other
Cd1H2O2
5
164
49.69
mp-1218970
-8.238372
-5.470968
2.42486
other
Sn2Pd1Au1
4
164
85.52
mp-3006
-2.763421
-0.615106
-5.123961
other
P2Pd3S8
13
164
315.6
mp-29885
-6.341908
-1.154162
1.202137
other
Ni30Sn3P9
42
164
489.83
mp-1068052
-5.563861
-5.711559
0.62734
other
Sm1Mg2Sb2
5
164
140.17
mp-30241
17.453951
9.544689
7.016
other
Mg5H2O6
13
164
113.82
mp-1216955
-8.104558
-2.302464
3.589415
other
U4Si1Ni7
12
164
175.18
mp-6959
-4.508262
-1.006643
-5.69792
other
Ga2Ni1S4
7
164
144.44
mp-7430
-5.57166
-5.928709
0.655604
other
Ca1Cd2Sb2
5
164
145.4
mp-10580
-6.302168
-5.024036
5.392787
other
La1Al2Ge2
5
164
112.19
mp-1220200
-5.589436
-4.251478
0.751208
other
Nd2As2Pd2
6
164
137.52
mp-1027269
-5.898588
2.029261
-4.904171
other
Mo2W2S8
12
164
305.22
mp-1172905
-4.011017
-1.844844
-5.282069
other
Ag3Bi3S6
12
164
271.25
mp-1045119
6.295842
12.63414
-1.482589
other
Al4Ni12O24
40
164
410.92
mp-1217934
-7.039194
-0.012544
4.402591
other
Ta2Ti2Fe8
12
164
150.85
mp-756381
10.299633
12.912675
-0.356093
other
Li1Fe2O3
6
164
59.1
mp-9592
-5.767676
-3.660153
0.725845
other
Yb1Mn2As2
5
164
95.29
mp-1221333
-6.552781
-2.942672
0.750425
other
Mn1Ni1Sb2
4
164
75.5
mp-1246458
1.782479
1.87335
2.431633
other
Zr1Ga2N2
5
164
77.77
mp-15800
12.617428
9.655798
2.140714
other
Ti3P1O2
6
164
69.93
mp-1206394
-4.92772
-5.229689
0.359786
other
Eu1Mg2As2
5
164
121.5
mp-1068021
-6.150011
-6.101017
1.10251
other
Sm1Mg2Bi2
5
164
152.09
mp-1223033
-7.764954
-6.517891
3.725418
other
La2Ag2Sn2
6
164
169.67
mp-2225368
-3.962387
-0.307153
-4.567884
other
Mg1Ti2S4
7
164
130.34
mp-12669
10.759933
7.975514
2.913324
other
Dy2S1O2
5
164
81.67
mp-1245923
0.607428
2.199946
2.234755
other
Sr1Cr2N2
5
164
62.48
mp-1173923
4.719741
21.150736
-0.944785
other
Li4Mn2O6
12
164
113.29
mp-754834
11.288717
8.235104
2.926396
other
Er2Te1O2
5
164
93.76
mp-1068042
-6.049192
-6.149734
0.842002
other
Yb1Mg2Bi2
5
164
152.98
mp-2647038
1.631684
1.780312
2.48078
other
Zr2Zn2N3
7
164
92.32
mp-1220976
12.941566
10.312809
2.16823
other
Na1Nb2O4
7
164
90.99
mp-1225797
-7.483575
-1.122228
5.535539
other
Dy2Er2Mn8
12
164
190.16
mp-9582
-3.471561
-4.027641
0.725654
other
Yb1Zn2P2
5
164
95.3
mp-1217196
-4.055402
-0.175299
-4.414042
other
Ti5Mn1S10
16
164
306.05
mp-569044
-5.954068
-3.639462
-2.054276
other
Bi2Te5Pb2
9
164
325.58