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-677371
1.028934
1.538868
-5.114185
other
Sr8La2Cl22
32
1
899.25
mp-1379330
7.672713
4.760375
-1.632899
other
Ti16N16O8
40
1
428.1
mp-1182604
13.273495
11.889787
-0.282523
other
Ba1V13O18
32
1
371.44
mp-1220126
8.294739
2.452963
-0.754509
other
Os1Cl1F8
10
1
197.06
mp-1181939
7.461805
12.684371
-1.625229
other
Co8Br8O8
24
1
471.04
mp-1245072
10.299776
12.60833
-1.372559
other
Cr16Fe16O48
80
1
1,037.62
mp-754036
12.389546
12.71912
-0.59359
other
V4Cr4O12
20
1
198.73
mp-1279759
5.983197
11.119022
-1.857934
other
Ti4Fe4O16
24
1
280.52
mp-759721
15.089202
12.493665
-0.805185
other
V6O7F5
18
1
203.98
mp-1101239
15.075449
12.464352
-0.796873
other
V6O7F5
18
1
205.94
mp-936504
-3.866562
-4.145347
-3.576365
other
Ca2La16Se24
42
1
1,128.74
mp-1287673
6.497794
13.82431
-1.906471
other
Na6Co10O20
36
1
403.32
mp-774379
10.110025
1.145211
0.297541
other
Cr8O2F22
32
1
398.28
mp-850932
12.45369
-1.051028
0.977434
other
Mn6O4F8
18
1
218.89
mp-753251
6.557709
13.227647
-1.355188
other
Li5Co2O6
13
1
145.77
mp-1349963
7.210602
11.910141
1.886496
other
La9Mn9O30
48
1
589.79
mp-625113
10.20239
3.82373
-4.082057
other
H16Pt2O12
30
1
225.99
mp-1181404
11.538285
4.451622
-4.098287
other
Ge7H18O23
48
1
476.37
mp-1219145
-8.405284
1.709398
-3.036742
other
Re2Te8Mo4
14
1
362.94
mp-1178298
13.151242
0.608975
1.665776
other
Fe8O6F10
24
1
284.22
mp-626556
10.442998
6.698645
-4.487031
other
Mo2H4O8
14
1
162.55
mp-1044751
12.532813
10.754025
-0.229573
other
Pr2W4O12
18
1
252.85
mp-1643980
7.010614
19.59963
-0.198348
other
Li14Mn10O24
48
1
440.73
mp-1100887
-5.948291
-3.680196
-1.685987
other
Y7Cu3Te12
22
1
693.68
mp-34375
9.160615
12.396394
-0.214447
other
Li7Os1O6
14
1
128.12
mp-775803
1.309155
1.872191
2.743671
other
Ti16N16O8
40
1
427.87
mp-2229008
-4.058952
0.04819
-4.109425
other
Mg1Nb4S12
17
1
323.7
mp-703866
-2.754924
-0.210913
-3.140687
other
Bi4Te14Cl16
34
1
1,127.66
mp-781235
9.888141
10.923096
3.352521
other
La4Ti6O18
28
1
357.95
mp-1259569
-5.913826
-3.762669
-1.690622
other
Ba14Al12Te32
58
1
2,242.15
mp-1192045
-4.015298
-5.384136
5.298944
other
Ba8Cu1Si16
25
1
743.03
mp-1178496
7.932167
2.377927
1.003127
other
Bi6O5F8
19
1
299.61
mp-765715
6.214146
12.669636
-1.405726
other
Na3Ni7O12
22
1
227.25
mp-752959
8.929661
10.832097
1.889448
other
Sc5Cu5O13
23
1
274.81
mp-775188
12.806904
-1.156448
0.734959
other
Mn12O10F14
36
1
424.08
mp-1373346
7.787586
5.31092
-1.694533
other
La8Ni4O17
29
1
384.04
mp-677152
-2.574987
-2.664847
-5.58051
other
Ho10Te7S10
27
1
755.57
mp-1356710
7.53601
4.75138
-1.721684
other
Zr16N16O8
40
1
538.31
mp-888867
8.027812
5.390665
-1.581905
other
Li16Ti16O32
64
1
632.32
mp-754022
7.170953
12.584816
-1.83211
other
Al2Co2O6
10
1
93.4
mp-1220121
9.569243
10.474002
-3.970867
other
Ni4Mo4O19
27
1
420.05
mp-1102176
2.752581
2.976461
-4.623869
other
Re2Cl5O4
11
1
257
mp-710245
8.412689
1.181195
1.680483
other
K1Th6F25
32
1
516.64
mp-704734
11.47197
13.338904
-3.111305
other
Li2V18O39
59
1
704.93
mp-754747
10.091075
1.608713
1.990248
other
Li4Fe2F8
14
1
176.16
mp-775262
12.807087
0.870371
2.163639
other
Fe10O6F14
30
1
359.14
mp-685663
8.063022
13.495364
-0.954283
other
Mg14Fe28O56
98
1
1,082.69
mp-1178250
11.026447
0.92946
1.208318
other
Fe5O1F11
17
1
240.44
mp-1229286
-5.179653
-6.905535
3.110684
other
Ba51Pd24O10
85
1
3,024.69
mp-2227311
-5.330914
-0.068898
-5.684062
other
Mg1Cr4S8
13
1
301.13
mp-760037
10.51651
2.264663
-0.199443
other
V6O5F19
30
1
428.02
mp-761216
12.817677
-1.146134
0.717849
other
Mn12O10F14
36
1
423.43
mp-761043
12.225057
-0.927064
0.883503
other
Mn12O7F17
36
1
441.46
mp-1179416
10.473187
3.742787
-4.127018
other
Sr2H32O20
54
1
453.97
mp-1256766
12.594201
7.549361
0.663196
other
Pr1Al22O34
57
1
628.35
mp-1282197
5.957437
10.995333
0.263775
other
Sr8Co4O16
28
1
379.63
mp-683041
-4.742469
-2.37457
-3.176645
other
K4Pd6Se8
18
1
486.09
mp-698703
8.462593
14.894363
-0.842518
other
Li15Mn21O43
79
1
896.42
mp-1182561
9.551883
6.757866
-3.126575
other
Ca3Si6O22
31
1
492.47
mp-686354
-5.485981
-1.668021
-3.757592
other
Cr16Co8Se32
56
1
1,112.93
mp-1393933
12.953544
10.94357
-0.616622
other
Zn1Mo4O8
13
1
185.09
mp-1326188
9.056922
12.878767
-1.162423
other
Fe20Ni10O40
70
1
758.43
mp-686038
13.153234
6.57889
-6.565239
other
Y2P6O18
26
1
387.57
mp-1223620
-2.776765
-2.414422
-5.657898
other
La12Ge5S28
45
1
1,094.22
mp-758732
6.333956
14.129742
-1.938489
other
Li9Co13O28
50
1
460.49
mp-754178
11.021647
-0.004624
0.716956
other
Mn5O1F11
17
1
255.64
mp-626308
10.365245
3.752592
-4.132135
other
Ca2H32O20
54
1
460.14
mp-760914
10.920774
2.817203
1.489064
other
V8O2F22
32
1
395.25
mp-759306
12.793641
-1.125387
0.735874
other
Mn12O10F14
36
1
427.06
mp-531066
10.466993
12.85372
-0.696178
other
Ti3Fe33O48
84
1
931.24
mp-1177797
9.829918
1.787033
0.69663
other
Li16V8F48
72
1
874.7
mp-864832
7.633972
5.049749
-1.65637
other
Sc7V9O24
40
1
461.4
mp-729727
-4.033953
-4.112646
-3.734753
other
Tb24Pb4Se40
68
1
1,712.61
mp-759524
10.714696
2.394563
-0.21511
other
V6O5F19
30
1
379.35
mp-774527
10.566503
12.360446
2.203357
other
Na4Ti24O50
78
1
994.69
mp-675087
10.895253
13.031078
-0.269786
other
Ti3Fe5O12
20
1
216.19
mp-675780
9.036187
2.476861
1.751805
other
K2Nb6F18
26
1
462.53
mp-1647928
7.011896
19.610052
-0.195692
other
Li14Mn10O24
48
1
442.69
mp-1046780
9.959664
8.871393
-0.410872
other
Zn4Bi4O10
18
1
310.44
mp-1046283
8.274674
11.17345
-0.13966
other
Mg4Cu4O8
16
1
190.38
mp-759792
13.660101
4.414356
-2.427545
other
Ag8B32O52
92
1
999.27
mp-757504
10.597202
12.148354
2.463677
other
Zr4Ti8O24
36
1
408.71
mp-2217542
8.043106
9.177898
-3.369548
other
Mg1Ru2O8
11
1
225.45
mp-760919
14.176067
11.962081
-2.170247
other
V6O6F12
24
1
295.58
mp-1227537
-4.59671
-5.20256
0.39292
other
Ca11Si9As16
36
1
858.42
mp-754833
1.667276
1.793805
2.947384
other
Hf8N8O4
20
1
237.39
mp-685430
12.816964
10.899167
-0.920947
other
Nd4Mo31O56
91
1
1,060.27
mp-752870
11.59444
8.581401
2.040048
other
Zr2U8O20
30
1
386.53
mp-779363
10.113516
1.143823
0.296821
other
Cr8O2F22
32
1
397.78
mp-33319
8.436546
1.844467
2.04622
other
Pr3N1F6
10
1
151.3
mp-1411380
6.660046
9.08342
-1.103355
other
Mg2Bi4O10
16
1
244.43
mp-807827
8.780773
4.148252
-0.179829
other
Fe7O3F9
19
1
242.91
mp-722541
-3.288022
-1.429071
-5.497915
other
Sr8Ga16S31
55
1
1,347.47
mp-850897
8.618601
15.172966
-1.654877
other
Mn8O13F3
24
1
250.08
mp-760815
12.224533
13.708559
-0.98044
other
Li12V10O24
46
1
446.13
mp-777794
12.086234
1.168817
2.59095
other
Fe10O4F16
30
1
370.84
mp-776538
10.700068
12.645082
-4.62135
other
V8O14F10
32
1
419.28
mp-759744
8.534513
14.322147
-1.056892
other
Mn8Fe8O24
40
1
438.42
mp-37843
8.227894
10.314459
2.16287
other
La12Ni6O25
43
1
584.24
mp-686183
9.582029
8.560124
-0.538672
other
Zn1Bi50O76
127
1
2,256.02