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-1224376
-4.401939
-2.658645
-3.984825
other
Ge4Se2S2
8
26
186.59
mp-1221555
-5.817793
-0.995531
1.851304
other
Mn2V2P4
8
26
97.8
mp-1217060
-7.799748
-5.273945
6.356472
other
Y20Ga6Co14
40
26
869.57
mp-1219266
-6.353444
-2.552455
4.188452
other
Si4Ni2Pd2
8
26
106.68
mp-23904
10.667867
3.860059
-3.843611
other
Ba2H8O6
16
26
170.24
mp-625220
10.491684
6.278199
-4.018824
other
Fe4H4O8
16
26
140.86
mp-1226310
-5.743905
0.606258
3.290667
other
Cr2Fe2B4
8
26
66.35
mp-1217701
-8.620673
-5.587588
5.637905
other
Tb4Cu2Pt2
8
26
174.63
mp-1228661
-5.491364
0.447128
3.249422
other
B4Mo2Ru2
8
26
81.71
mp-1200326
-8.327849
-5.377632
3.505427
other
Pr10In40Pd20
70
26
1,564.47
mp-1202976
-8.35785
-5.413859
3.513603
other
Nd10In40Pd20
70
26
1,551.71
mp-978568
-6.080616
-3.356761
4.56792
other
Si6Mo2Pt4
12
26
176.7
mp-626276
9.410995
12.856256
-1.653803
other
Mn4H4O8
16
26
144.34
mp-1224799
-6.497498
-0.607873
2.211323
other
Fe6Ni2P4
12
26
130.99
mp-754518
5.377671
12.064101
-2.415924
other
Fe4O6F2
12
26
141.62
mp-1224900
-7.727173
-2.260193
2.951607
other
Ga2As2Rh8
12
26
174.24
mp-4681
10.534158
11.841614
3.202731
other
Na4Nb4O12
20
26
241.5
mp-1228657
-5.367294
0.290214
3.281399
other
B4Ru2W2
8
26
82.27
mp-779664
10.118649
8.311808
-2.86423
other
Ag2Ge2O6
10
26
152.23
mp-1216734
-5.522133
-1.765406
2.209735
other
Ti2Mo2As4
8
26
134.75
mp-1194755
8.466679
1.240081
1.684034
other
Th6Tl2F26
34
26
526.79
mp-1374666
8.273724
13.455244
-0.893792
other
Mg4Fe8O16
28
26
276.33
mp-1220131
-6.673198
-4.874281
0.293898
other
Ni2Bi12Rh2
16
26
439.25
mp-1446711
6.813127
12.165345
-1.006132
other
Ca2Mn4O10
16
26
211.3
mp-1003766
8.29756
14.668989
-0.953526
other
Na2Mn4O8
14
26
162.26
mp-1221342
-5.882958
-1.145195
1.594493
other
Mn2Ni2P4
8
26
94.58
mp-1219516
-3.893817
-2.026337
-4.564804
other
Sb8Se6S6
20
26
545.66
mp-676581
8.42163
4.013925
-6.573247
other
Ag12C6O18
36
26
505.77
mp-675690
-5.312612
-6.227483
2.231741
other
Ba12Pt6Au6
24
26
788.78
mp-1226607
-5.03405
-4.465098
6.120527
other
Ce2Nd2Si4
8
26
194.3
mp-1224886
-5.754032
-0.832651
2.252245
other
Fe2P4W2
8
26
105.66
mp-1367520
12.663139
11.645345
-0.467564
other
Mg4V4O10
18
26
221.4
mp-774146
2.387992
2.074067
-3.87861
other
W2Br4O4
10
26
263.18
mp-571156
5.41292
-0.475205
-2.998597
other
Mg2B4H16
22
26
220.58
mp-644419
-3.103152
-1.171066
-5.481157
other
Li4H4S4
12
26
187.5
mp-1216759
8.394543
1.524437
1.017827
other
Tl2Bi2F8
12
26
210.91
mp-1247816
12.848399
6.914683
-0.082622
other
Al16Si2O28
46
26
1,290.66
mp-1225477
-7.136564
-5.753368
4.637085
other
Er20Ni2Sb10
32
26
845.29
mp-1225141
-6.391665
-0.501741
2.898035
other
Fe4Si2P2
8
26
91.64
mp-1218960
-4.251686
-2.606821
-4.609062
other
Sn4Se2S2
8
26
215.85
mp-686084
-1.350386
1.711755
-2.380538
other
Nb24I42Br2
68
27
2,520.34
mp-667363
13.913177
5.47616
-6.697675
other
Al24P24O96
144
27
2,950.63
mp-1190290
7.836194
0.504307
-4.045723
other
B2H16N2
20
28
146.39
mp-690581
12.141459
12.389132
-0.340366
other
Li12Mo4O14
30
28
314
mp-608522
11.159349
10.82036
-3.496811
other
Sb4Mo20O62
86
28
1,240.23
mp-1014204
-3.515879
-1.573109
-5.734059
other
Sn10S8Cl4
22
28
634.72
mp-29510
10.019336
8.682389
-2.510066
other
Hg4Te2O6
12
28
269.93
mp-1185439
-6.595937
-7.304849
3.61226
other
Li1Yb1Tl2
4
225
99.89
mp-866037
-8.18294
-2.129508
3.235586
other
Ga1Ni1Rh2
4
225
52.11
mp-1183500
-6.664585
-7.685972
4.301582
other
Ca1Ac1Tl2
4
225
129.56
mp-861619
-8.164754
-3.645404
3.032869
other
Ti1Zn1Pt2
4
225
59.97
mp-976341
-8.131956
-6.929926
5.459566
other
Nd2Zn1Ag1
4
225
102.12
mp-984048
-7.798995
-6.292731
5.279588
other
Ce1Y1In2
4
225
111.39
mp-1184510
-8.84366
-5.429113
6.495635
other
Gd1Lu1Ru2
4
225
75.46
mp-866225
-7.746334
-7.880406
3.202673
other
Ac1Mg1Hg2
4
225
109.39
mp-972935
-8.915356
-1.778564
3.075564
other
Sc1Zn1Ni2
4
225
53.62
mp-971982
-8.727852
-6.514451
5.525274
other
Tm2Zn1Cu1
4
225
81.29
mp-1183883
-5.959393
-6.262427
1.29757
other
Eu2Ag1Bi1
4
225
122.67
mp-865325
-8.968415
-5.655246
6.538127
other
Lu2Co1Ru1
4
225
69.85
mp-27830
1.595562
2.861025
-5.473555
other
Cs2Se1Cl6
9
225
281.27
mp-867140
-8.981148
-6.712011
4.519384
other
Sm1Zn2Ag1
4
225
76.06
mp-867418
-8.981571
-6.595006
2.57916
other
Th1Pb1Au2
4
225
95.42
mp-867313
-8.195137
-4.044515
3.406191
other
Li1Tm1Pt2
4
225
69.88
mp-631480
-7.243665
-1.726449
4.084044
other
Ir1Os2Br1
4
225
62.61
mp-1183268
-6.741022
-9.261337
5.916455
other
Ac1Eu1Mg2
4
225
136.87
mp-1110798
-0.407796
1.190988
-4.307248
other
Na3Ga1Br6
10
225
315.91
mp-1196262
-5.497369
-4.20907
0.502701
other
Eu7Cu44As23
74
225
1,173.3
mp-1187828
-7.748258
-6.972327
4.514156
other
Yb1Gd1Cd2
4
225
106.99
mp-1185972
-6.783752
-1.255086
4.180198
other
Mn2Nb1Ga1
4
225
54.32
mp-1192673
-7.793259
-3.410912
5.254832
other
Zr6Al16Rh7
29
225
473.96
mp-865235
-7.324434
-3.025099
5.349095
other
Ti6Al16Ni7
29
225
403.17
mp-866033
-8.075629
-2.241912
3.564107
other
Al1Zn1Rh2
4
225
52.96
mp-862371
-8.301465
-4.345563
4.845998
other
Sc2Ru1Pt1
4
225
67.56
mp-861991
-7.044744
-1.633372
5.367451
other
Pa1Mn2Al1
4
225
67.69
mp-1185052
-8.433017
-4.492013
4.922854
other
La1Yb1Rh2
4
225
84.5
mp-1110732
1.192202
2.378947
-5.922718
other
Rb3Dy1Cl6
10
225
380.87
mp-865807
-6.189281
-1.609521
3.880594
other
Ti2Mo1Ir1
4
225
60.34
mp-1110576
8.922137
0.967948
0.621912
other
Li3Tl1F6
10
225
142.04
mp-984355
-7.584265
-8.667386
6.47582
other
Ce1Er1Mg2
4
225
108.59
mp-1078506
2.60329
2.977542
-4.160908
other
Pd1N2Cl6
9
225
245.34
mp-1207426
-8.226907
-5.144972
4.062991
other
Zr6Zn23Si1
30
225
463.46
mp-866147
-9.114688
-6.195961
6.753294
other
Lu2Ag1Os1
4
225
78.67
mp-1186005
-8.223739
-1.46785
2.604967
other
Mn1Zn1Ni2
4
225
47.63
mp-864715
-7.761858
-1.840052
3.990895
other
Hf1In1Co2
4
225
59.73
mp-16271
-5.702375
-5.961775
0.55399
other
Li2Cd1Sb1
4
225
79.23
mp-1187042
-8.89447
-5.623912
6.289477
other
Sm1Y1Rh2
4
225
82.22
mp-11512
-7.819251
-3.064891
4.971881
other
Li1Al2Ir1
4
225
53.85
mp-867842
-8.380083
-2.91231
3.773537
other
Sc1In1Rh2
4
225
65.66
mp-1147677
7.434124
10.766052
-0.835736
other
Ca1Cu6O8
15
225
199.65
mp-27636
-1.354518
3.117039
-2.931474
other
Cs2Sn1I6
9
225
408.62
mp-1183794
-9.004122
-5.39712
6.079885
other
Dy1Er1Rh2
4
225
77.72
mp-1120741
1.295505
2.410501
-5.56307
other
Cs2Hf1Cl6
9
225
288.03
mp-1187765
-8.339589
-6.091949
6.759251
other
Y2Al1Ru1
4
225
86.74
mp-1186689
-7.28111
-6.372386
6.553562
other
Pr2Mg1Al1
4
225
112.04
mp-1183077
-6.471857
-7.809062
5.50713
other
Ac2Yb1Mg1
4
225
150.16
mp-1207229
-0.828859
1.338875
-4.527004
other
Cs2Mo1Br6
9
225
316.27
mp-1184757
-4.462132
-6.924739
1.662462
other
K2Cd1Au1
4
225
143.47
mp-862945
-5.929372
-3.822347
-1.736362
other
Na1Pm1Te2
4
225
116.81
mp-979057
-8.218314
-6.924499
5.342525
other
Sm2Zn1Ag1
4
225
98.19
mp-861664
-8.977883
-6.378133
3.093307
other
Li1Tm1Au2
4
225
76.53