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-2223640
-4.651904
-1.117839
-5.691671
other
Mg1V1Cu3S4
9
160
169.08
mp-1235896
11.379651
11.534105
0.383284
other
Li1Y2Fe4O8
15
160
194.31
mp-1228975
-5.436929
-0.468351
-5.97683
other
Al2Cr3Cu1S8
14
160
248.06
mp-1219890
9.517235
7.576859
-3.057034
other
Rb3Ge7H1O20
31
160
486.33
mp-1221908
-7.521616
-1.45668
2.827308
other
Mn3Cr3Si7Ni16
29
160
341.27
mp-1224252
-6.183739
-6.348464
3.626764
other
Na34Cd6Ga92Cu7
139
160
2,902.16
mp-23837
8.71143
3.294429
-5.5914
other
Nd1H3C3O6
13
160
136.25
mp-545479
4.231324
2.934633
-4.141983
other
B4C1Cl6O1
12
160
301.56
mp-753329
10.047369
0.576469
0.207611
other
Li6Ni6O2F14
28
160
305.29
mp-1226186
-5.662635
-0.448513
-5.376947
other
Cr8Fe3Cu1S16
28
160
462.29
mp-1246602
-5.462755
0.631279
-5.444003
other
Mg2Co1W3S8
14
160
257.05
mp-1212694
3.361195
3.346452
-3.970038
other
H3Pt3N15Cl12
33
160
795.14
mp-1217174
-5.898355
-2.164112
4.190283
other
Ti8Ga1Co4Si3
16
160
220.26
mp-1222727
2.041257
1.776891
1.705051
other
La1Th1C1N1
4
160
76.35
mp-2224233
-5.235651
-0.781126
-4.631798
other
Mg1Fe1Cu1S2
5
160
77.41
mp-2239899
12.486308
9.980742
1.938601
other
Yb1Mg1Ti1O3
6
160
75.32
mp-772992
11.737182
11.523751
-1.619463
other
Li9Fe3W7O28
47
160
624.76
mp-1220407
0.433165
2.094131
2.465099
other
Nb1V1C1N1
4
160
40.78
mp-759572
7.159581
13.79955
-1.936496
other
Li2Co10O14F2
28
160
259.12
mp-1236123
10.300281
8.79747
2.604273
other
Li1Er1Tl1O2
5
160
85.39
mp-1233919
13.165207
8.261943
-0.416821
other
Ca1Sc4Si4O14
23
160
262.39
mp-1215225
0.911321
1.626922
2.719558
other
Zr1Ta1C1N1
4
160
47.42
mp-756492
6.572095
12.784614
-1.371076
other
Li2Fe3Sn1O8
14
160
155.37
mp-1226640
-8.057648
-3.31049
2.600518
other
Ce1U1Pt8Au2
12
160
216.74
mp-1218922
-3.357026
-2.123639
-5.458829
other
Sn1Te1Pb4S4
10
160
280.77
mp-1215232
0.939141
1.530029
2.758325
other
Zr1Nb1C1N1
4
160
47.85
mp-1018678
9.605804
4.76674
-6.162058
other
Cs1H1S1O3
6
160
104.66
mp-2217552
11.725996
9.867398
2.225017
other
Ba2Mg1Ti2O6
11
160
176.54
mp-2227498
8.642888
11.927635
-0.70198
other
Mg1Ni1Ag1O2
5
160
67.18
mp-1215237
-3.517274
-0.204722
2.868649
other
Zr1Nb2V1C4
8
160
89.87
mp-1222229
-3.340957
1.720563
2.743985
other
Mg3Si9B36C1
49
160
484.34
mp-2225340
12.31465
10.641335
0.195813
other
Na1Mg1Mo1O3
6
160
81.39
mp-758755
10.197167
0.523955
0.460385
other
Li6Co6O2F14
28
160
317.66
mp-1224254
-6.029111
-3.672655
2.072374
other
Hf1Zr1Co2Sb2
6
160
135.48
mp-546500
5.107761
2.749318
-3.642765
other
Na1C1N1O1
4
160
59.16
mp-1217920
0.852138
1.835275
2.714661
other
Ta1Ti1C1N1
4
160
42.13
mp-1247252
-5.057693
0.561076
-5.469037
other
Mg2V1W3S8
14
160
262.79
mp-1215443
-3.758862
-3.012025
-1.454129
other
Zn1Ga1P1S1
4
160
82.53
mp-2227822
8.426064
13.703072
-1.57672
other
Mg1Mn3Bi1O8
13
160
240.51
mp-2232699
7.387222
12.564073
-1.132087
other
Mg1Zn2Ni4O8
15
160
155.15
mp-1223746
9.839073
9.584375
-0.273366
other
In1Sb3Pb4O13
21
160
311.07
mp-1224600
-3.816156
-1.483702
-5.513433
other
K10Mn4Sn4S17
35
160
1,053.44
mp-1233247
7.905357
11.116951
-0.236901
other
Mg1Ag4Ru4O12
21
160
275.73
mp-1210859
-3.717352
-0.278482
-5.008141
other
Li1Ti1S2O1
5
160
74.41
mp-1221880
-6.492242
-3.399913
0.783445
other
Mn2Cu1Sb2Pd1
6
160
118.14
mp-1220100
-8.533142
0.227042
4.576201
other
Nd1Sm1Fe4Co13
19
160
251.05
mp-1224397
9.430673
7.57426
-3.225073
other
K3Ge7H1O20
31
160
476.48
mp-1219278
9.890663
9.686229
0.057437
other
Sc1Sb3Pb4O13
21
160
307.8
mp-2217673
11.080303
10.288643
1.110209
other
Ba3Mg1W1O6
11
160
215.57
mp-2217662
-4.845376
-1.469736
-5.89934
other
Mg1Fe1Cu5S4
11
160
173.16
mp-1228978
-4.02504
-1.44635
-5.905864
other
Al1Cd1In1S4
7
160
166.96
mp-1189091
13.742145
4.085838
-2.29448
other
K3B6Cl1O10
20
160
271.72
mp-2226544
11.840915
9.897845
1.021397
other
La1Mg1Fe1O3
6
160
88.44
mp-642991
8.796152
3.29473
-5.679498
other
Tb1H3C3O6
13
160
126.37
mp-1216272
-7.614076
-6.540785
6.594443
other
Y16Mg3Al1Ni4
24
160
636.02
mp-849420
8.276589
14.607882
-1.089645
other
Li2Mn3Cu1O8
14
160
143.81
mp-1216415
-5.281686
-1.692837
-3.725602
other
V1Cr3Ga1Se8
13
160
283.4
mp-1222216
11.51219
13.064527
-0.002278
other
Mg3Cr8Fe1O16
28
160
307.11
mp-2222796
-4.673686
-1.345853
-5.648353
other
Mg1Cu3As1S4
9
160
170.54
mp-885625
7.601197
13.982304
-1.070302
other
Li4V1Ni3O8
16
160
143.7
mp-1235400
7.797788
11.123713
-0.207826
other
Li1Ag4Ru4O12
21
160
271.43
mp-1177884
11.077792
13.064474
1.309288
other
Li8Ti12Mn4O32
56
160
618.72
mp-775015
9.10722
13.669113
-1.279551
other
Li2Cr3Ni1O8
14
160
143.92
mp-2226784
-5.118741
-0.698379
-4.781692
other
Mg1Fe1Ag1S2
5
160
84.41
mp-1222267
8.233051
11.39852
1.327954
other
Lu1Zn1Fe1O4
7
160
87.63
mp-1226278
9.828097
9.935616
-0.114362
other
Cr2Sb6Pb8O26
42
160
600.02
mp-1215184
0.821229
1.59203
2.659244
other
Zr1Ti1C1N1
4
160
45.42
mp-1235719
12.327155
10.569155
0.283005
other
K1Li1W1O3
6
160
75.32
mp-1221873
-6.871058
-0.942714
3.691456
other
Mn3V2Ga2Co1
8
160
96.61
mp-1174409
3.577659
23.0411
-1.401506
other
Li6Mn2Co2O10
20
160
185.36
mp-2240949
11.90773
10.121306
1.100239
other
Ba1Mg1V1O3
6
160
93.19
mp-1221700
-5.604774
-1.056686
-4.02578
other
Mn1Fe1Se1S1
4
160
56.17
mp-1226806
-4.771498
-4.778146
-0.080185
other
Cd1Ga4As4Se1
10
160
248.76
mp-2228513
-5.183948
-0.767666
-5.187181
other
Mg1Mn4Zn1S8
14
160
255.47
mp-1224215
-6.39595
-3.621865
1.799678
other
Hf1Zr1Sb2Rh2
6
160
137.92
mp-1221791
-6.695364
-3.582593
0.768064
other
Mn2Sb2Pt1Au1
6
160
127.98
mp-1219067
-5.807489
-3.515468
-2.080061
other
Sn5Ge2Sb2Te10
19
160
630.41
mp-756921
8.844297
13.369462
-1.067218
other
Li1Zn1Fe10O16
28
160
315.13
mp-1226233
-5.318927
-2.08892
-3.761513
other
Cr1Ga1Fe1Se4
7
160
163.25
mp-773699
8.884583
13.38894
-1.086678
other
Li1Mg1Fe10O16
28
160
296.59
mp-560831
-2.359061
-0.58888
-5.473954
other
Na6P4Pb3S16
29
160
695.93
mp-1177682
11.273231
0.953821
0.761997
other
Li3Fe2O3F3
11
160
122.88
mp-2218611
6.469907
12.167718
-1.765586
other
Mg1Co3Bi1O8
13
160
163
mp-2222826
-4.505781
-1.229953
-5.695564
other
Mg1Nb1Cu3S4
9
160
183.66
mp-1202866
9.005607
6.315191
-4.293951
other
Na4Ti4Si3O22
33
160
473.28
mp-1226789
8.840014
13.096529
-1.041609
other
Cd1Fe4Ni1O8
14
160
163.7
mp-2226997
12.04378
10.085576
0.751137
other
Ba1Mg1Mo1O3
6
160
93.78
mp-2228448
11.18641
13.08307
-0.236108
other
Mg1Cr3Fe2O8
14
160
156
mp-1236152
8.177054
11.567372
-0.587729
other
Li1Cu1Au1O2
5
160
59.6
mp-2242317
8.970793
12.975218
-0.814896
other
Mg1Co1Cu1O2
5
160
62.49
mp-1221717
-5.500186
-0.965008
-4.934795
other
Mn1Cr1Se1S1
4
160
70.16
mp-2226405
-5.081431
-0.678364
-4.756758
other
Mg1Fe1Ag1S2
5
160
89.88
mp-1218989
2.126654
1.582824
1.902419
other
Sm1Th1C1N1
4
160
71.95
mp-1236510
10.089527
10.738767
0.411272
other
Li1Ru1Pb1O3
6
160
75.07
mp-1220505
9.813078
10.320979
1.493625
other
Nb1Zn1Pb2O6
10
160
139.28
mp-2228542
6.639305
12.419262
-1.146984
other
Ba1Mg1Ni4O8
14
160
171.67
mp-559593
5.7475
2.967239
-3.691046
other
P3S9N15F6
33
160
612.95
mp-1221947
-6.710614
-3.00411
0.836122
other
Mn4Co1Sb4Ir3
12
160
220.42
mp-1222593
8.513852
11.560646
1.2534
other
Lu3Mn1Fe3O10
17
160
215.47
mp-1221561
-5.4826
-1.907221
-3.856999
other
Mn1Zn3Cr8Se16
28
160
600.39