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-1223052
-6.266581
-5.410482
1.266748
other
La2Zn1Bi4
7
115
217.31
mp-1223952
-6.199662
-4.159892
1.151875
other
Ho2Ni1Sb4
7
115
171.99
mp-767737
7.040502
13.436479
-2.042991
other
Co9Cu3O16
28
115
276.92
mp-675012
10.537242
9.658436
3.93828
other
Ho2Zr8O19
29
115
340.11
mp-1220675
-6.395766
-2.906812
5.100262
other
Nb2Al3Ga3
8
115
124.89
mp-1504124
0.990609
2.525511
1.799513
other
Mg1Cr2N2
5
115
74.89
mp-1008556
2.384962
2.111798
1.846821
other
Al1Ga1N2
4
115
43.64
mp-1226943
-5.856476
-4.585994
1.082167
other
Ce4Zn3Sb8
15
115
397.49
mp-1217712
-6.114131
-4.237214
1.071022
other
Tb2Ni1Sb4
7
115
174.81
mp-677392
9.059703
8.841965
2.204721
other
Yb2Ce8O19
29
115
403.53
mp-1222455
-3.741438
-3.960042
0.915234
other
Li3Mn1P2
6
115
88.14
mp-1428795
1.007491
2.254637
1.276629
other
Ca1Ni2N2
5
115
72.45
mp-1226796
-5.805392
-4.568826
1.021737
other
Ce2Zn1Sb4
7
115
194.82
mp-1071230
-6.032505
-3.697176
1.68997
other
Zr2Sb3Pd1
6
115
137.13
mp-1227076
-4.667425
-4.385517
5.9656
other
Ca1La3Si8
12
115
257.58
mp-1221870
-6.679286
-2.061365
1.377718
other
Mn8Fe4Sb6
18
115
296.58
mp-1018076
-5.340714
-5.342836
0.146176
other
Ga2Bi1As1
4
115
113.64
mp-759386
10.767946
8.61315
2.740101
other
Ce2Th2O7
11
115
174.75
mp-1220350
-7.877426
-4.999947
4.847244
other
Nd2Ga7Pd1
10
115
193.05
mp-776661
10.258733
12.060403
-4.239864
other
Nb1V3O10
14
115
203.51
mp-1246872
-6.031004
-3.537307
-2.254786
other
Cd1Hg2Te4
7
115
220.46
mp-1224961
-6.277918
-2.711212
-1.595161
other
Fe1Cu1Te2
4
115
94.47
mp-1224317
-5.437142
-2.784777
2.612106
other
Hf2Si1As3
6
115
108.26
mp-1227351
-6.564527
-5.989736
4.170555
other
Ca2Ga7Ag1
10
115
197.77
mp-1070907
-6.109039
-3.674534
1.668914
other
Hf2Sb3Pd1
6
115
134.25
mp-1387707
1.232729
2.053161
2.255352
other
Ca1Ti2N2
5
115
86.47
mp-1219846
-5.340052
-1.999402
0.76591
other
Pr2Ni3P4
9
115
146.1
mp-676552
10.046553
8.652704
3.182036
other
Nd2Th8O19
29
115
445.14
mp-1226907
-4.521363
-1.244976
-5.629908
other
Cd3Fe1S4
8
115
195.38
mp-1225392
-6.452016
-5.268496
1.125092
other
Dy4Ni3Bi8
15
115
386.61
mp-1395833
2.282575
2.316342
1.301556
other
Zn1Sn2N2
5
115
90.63
mp-1435683
0.805156
2.544714
1.719248
other
Mn2Zn1N2
5
115
66.06
mp-1173100
10.527231
9.70403
3.915485
other
Sm2Zr8O19
29
115
348.12
mp-1078212
-2.980139
1.262644
2.715755
other
Li4B4C2
10
115
92.54
mp-1215440
-4.694287
-4.711315
0.055368
other
Zn1Ge1As2
4
115
94.13
mp-1219837
-5.226549
-4.373262
0.405944
other
Pr2Zn1As4
7
115
165.07
mp-1223793
-5.398879
-3.731168
-2.247535
other
In2As1Se1
4
115
131.01
mp-1221936
-5.979559
-3.332567
-2.180993
other
Mg1Mn1Te2
4
115
131.66
mp-28153
8.419632
1.90171
-0.700718
other
Ca1Au2F12
15
115
241.41
mp-1215378
-5.88688
-2.604829
1.512197
other
Zr4Ni3As8
15
115
255.7
mp-1233794
15.6663
5.643579
0.289714
other
Mg1Si5O10
16
115
313.47
mp-1418945
1.426919
1.885036
2.43516
other
Ti2Zn1N2
5
115
75.19
mp-1221723
-6.454247
-1.482971
1.53582
other
Mn3Co1As2
6
115
83.53
mp-1219199
-8.482891
-5.877508
3.69493
other
Sm2Ga5Au3
10
115
208.52
mp-1224086
7.804755
11.556407
-0.877853
other
K3Fe4O8
15
115
308.24
mp-1228565
-4.477886
-7.189854
3.826156
other
Ba3Sr3Np2
8
115
384.04
mp-1222305
-5.39688
-3.845834
1.487054
other
Li1Nb1As2
4
115
102.55
mp-1221837
-6.707279
-2.424899
1.096706
other
Mn7Co1Sb4
12
115
200.34
mp-1219743
-5.521645
-3.437649
0.34998
other
Pu2Sb1Te2
5
115
160.16
mp-1220245
-6.018951
-4.755338
1.234256
other
Nd2Zn1Sb4
7
115
194.23
mp-1099073
10.76344
12.411169
2.080168
other
Ti15Nb1O32
48
115
566.76
mp-1008528
-3.181349
1.481662
2.577275
other
B2As1P1
4
115
51.28
mp-1008557
2.811122
2.520802
1.401424
other
Al1B1N2
4
115
32.82
mp-1222432
-5.100434
-4.756265
0.566632
other
Li3Mn1As2
6
115
107.47
mp-1173030
10.096667
8.680123
3.204438
other
Y2Th8O19
29
115
437.44
mp-1018083
-6.188428
-3.037356
-2.179488
other
Cr1Cd1Te2
4
115
133.13
mp-1017534
-5.11057
-2.848763
-4.153298
other
Zn1Cd1Se2
4
115
102.7
mp-1224949
-4.727155
-1.047022
-5.12662
other
Fe1Cu1S2
4
115
70.4
mp-1421629
0.708735
2.531703
1.843381
other
Mg1W2N2
5
115
77.58
mp-1223048
-5.975207
-4.842065
1.175277
other
La2Zn1Sb4
7
115
202.21
mp-1217660
-6.440997
-5.271607
1.057302
other
Tb4Ni3Bi8
15
115
385.83
mp-1226596
-4.866696
-4.266934
6.07751
other
Ce1Nd3Si8
12
115
245.11
mp-677234
9.60512
8.743384
3.107134
other
Ce8Gd2O19
29
115
407.65
mp-676820
10.556231
9.677466
3.950225
other
Tm2Zr8O19
29
115
338.48
mp-676629
10.109285
8.666657
3.150045
other
Sm2Th8O19
29
115
425.12
mp-1217876
-8.414318
-5.056681
4.564892
other
Tb20In40Rh19
79
115
1,748.22
mp-1233072
1.545877
2.191569
0.838756
other
Mg1Cu2N2
5
115
68.37
mp-677238
7.930361
2.33108
2.343565
other
Th10N9F13
32
115
486.03
mp-2228225
8.421814
10.731956
-0.129173
other
Mg1Cu2O2
5
115
64.7
mp-1223437
-7.811784
-4.793667
5.065239
other
La2Ga7Co1
10
115
196.4
mp-1223907
-4.104178
-1.73247
-5.384663
other
Hg2Se1S1
4
115
111.52
mp-1226987
-8.34993
-5.655491
3.759835
other
Ce2Ga5Au3
10
115
208.06
mp-1223339
-8.135108
-4.876523
4.814855
other
La2Ga5Cu3
10
115
187.82
mp-1224437
-5.999863
-2.605174
1.552642
other
Hf4Ni3As8
15
115
256.21
mp-1225511
-6.136908
-3.902502
0.891949
original
Eu2Ni3Sb4
9
115
201.25
mp-1417640
1.449122
1.927215
2.425495
other
Mg1Ti2N2
5
115
76.51
mp-1228605
-5.302831
1.000145
-4.629435
other
Al3Mo8S16
27
115
493.41
mp-1219222
-8.230932
-4.931853
4.803519
other
Sm2Ga5Cu3
10
115
176.54
mp-1224792
-4.832658
-2.631785
-4.114193
other
Ga1Ag1Se2
4
115
103.31
mp-1223638
-5.378851
-5.71525
0.391631
other
In1Ga1Sb2
4
115
128.02
mp-1103016
8.641356
11.49006
0.216217
other
Ti3Cu1O8
12
115
139
mp-1221877
8.957365
14.863135
-0.515085
other
Mn9Zn3O16
28
115
306.24
mp-1178478
9.735919
8.754363
3.203549
other
Ce2Y2O7
11
115
161.6
mp-1227078
-5.829953
-4.518856
0.957995
other
Ce4Mn3Sb8
15
115
388.89
mp-1223110
-5.809761
-3.76703
-1.343676
other
La4Sb1Te7
12
115
385.29
mp-1219281
-3.526435
-4.166165
0.759946
other
Sc1In3P4
8
115
211.74
mp-1223277
-6.037184
-4.724651
1.120025
other
La4Mn3Sb8
15
115
414.98
mp-1218558
-8.054491
-6.074645
2.676615
other
Sr4Sn9Au7
20
115
533.65
mp-1425224
0.860697
2.494327
1.412001
other
Zn1Ni2N2
5
115
62.38
mp-1223453
-8.456825
-5.842679
3.69803
other
La2Ga5Au3
10
115
220.04
mp-1222348
-6.59112
-6.064235
4.266947
other
Li1Eu2Ga7
10
115
199.33
mp-1216580
-5.87172
-3.984284
1.096286
other
U2Sb4Pd1
7
115
182.93
mp-1227663
-4.09191
-5.027283
5.673479
other
Ca3La1Si8
12
115
251.33
mp-1402859
1.543492
2.207746
0.708824
other
Ca1Cu2N2
5
115
80.02
mp-1226949
-8.137425
-4.883934
4.480462
other
Ce2Ga5Cu3
10
115
182.4
mp-757458
7.885021
10.969838
0.012063
other
Tl8Os8O27
43
115
567.87
mp-1428720
0.804861
2.315197
1.879102
other
V2Zn1N2
5
115
68.34
mp-1226952
-5.871129
-3.107391
-2.76339
other
Cd2Te1Se1
4
115
128.1
mp-1225364
-6.857011
-5.803923
4.22347
other
Eu2Ga7Ag1
10
115
202.02
mp-1225313
-6.053749
-4.194499
1.062369
other
Dy2Ni1Sb4
7
115
173.34