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-1026470
-7.78889
-10.458807
6.368612
other
Hf1Mg14Cr1
16
187
354.1
mp-1028054
-7.81709
-10.484945
6.329493
other
Mg14Mn1Nb1
16
187
344.49
mp-1227470
-4.040855
-5.04272
5.568574
other
Ca2Si3Ni1
6
187
121.38
mp-1227964
-6.259082
-6.212948
3.674012
other
Ba1Cu1Ge1
3
187
78.34
mp-1027804
-7.469223
-11.001781
5.359503
other
Mg14Cu1Ni1
16
187
326.86
mp-1219442
-6.636133
-3.173881
-0.200518
other
Sb1Te1Pd2
4
187
85.22
mp-1210823
-2.25649
-1.671136
-4.192828
other
Lu1S1I1
3
187
87.19
mp-1028325
-7.32419
-11.091041
4.863513
other
Mg14Ni1Bi1
16
187
352.18
mp-1026584
-7.174666
-10.88882
5.036929
other
Mg14Cd1Sn1
16
187
366.39
mp-1226464
-5.025363
-4.443286
5.554934
other
Ce1Zn1Si1
3
187
64.13
mp-1228879
-5.206824
-6.55304
3.320134
other
Ba10Ge7O3
20
187
637.06
mp-1028297
-7.85527
-10.925887
5.973544
other
Mg14V1Cr1
16
187
343.3
mp-1028137
-7.731332
-10.426228
6.277989
other
Mg14Zr1Mn1
16
187
355.47
mp-1028111
-7.824672
-11.169422
6.190218
other
Ca1Mg14W1
16
187
362.02
mp-1217967
-4.985821
-3.565993
1.03936
other
Sr1P1Pt1
3
187
66.01
mp-1026622
-6.834834
-11.109492
5.805554
other
Rb1Mg14Ga1
16
187
393.04
mp-1222797
-7.021594
-4.495097
6.389513
other
La1Nd1Al6
8
187
174.06
mp-1026555
-6.903162
-10.926232
5.780484
other
Sr1Mg14Cd1
16
187
393.26
mp-29719
1.139978
2.326949
1.168325
other
Li1Ni1N1
3
187
38.91
mp-1026585
-7.978132
-11.161612
5.7633
other
Mg14Sn1W1
16
187
346.87
mp-1026476
-8.068226
-11.10316
5.910822
other
Mg14Cd1W1
16
187
341.79
mp-1026866
-6.671082
-11.26924
5.822025
other
Cs1Mg14Cu1
16
187
392.68
mp-1223814
-5.276065
-4.10296
5.678428
other
Ho1Cu1Si1
3
187
56.56
mp-1217763
-5.871522
-6.135414
3.819072
other
Sr1Zn1Ge1
3
187
74
mp-1025986
-6.869607
2.758632
-4.978522
original
Te2Mo3S4
9
187
288.23
mp-1026452
-8.217434
-10.732919
6.356684
other
Hf1Mg14W1
16
187
344.76
mp-1208590
-4.606517
-0.979281
-3.05747
other
Ta1In1Se2
4
187
91.06
mp-1026816
-7.406156
-10.943459
5.72936
other
Li1Mg14Cr1
16
187
352.11
mp-1026435
-8.016325
-10.763771
6.348453
other
Mg14Ti1Mo1
16
187
342.13
mp-1206697
-3.922018
-3.708013
0.967363
other
Eu1Ni1P1
3
187
55.88
mp-1206718
-6.139755
-2.737999
0.723995
other
Y1Ni1As1
3
187
54.78
mp-1028389
-7.973199
-11.064328
5.83144
other
Mg14Co1Mo1
16
187
324.84
mp-1225280
-5.22501
-4.09233
5.709378
other
Dy1Cu1Si1
3
187
56.64
mp-1026652
-7.086998
-10.94701
5.579809
other
Na1Mg14Ga1
16
187
364.58
mp-1026872
-7.872275
-11.159414
5.816947
other
Mg14Cu1Mo1
16
187
331.41
mp-1026567
-6.749237
-11.143911
5.430527
other
Cs1Mg14Bi1
16
187
415.82
mp-1026823
-6.639733
-11.143698
5.918929
other
Cs1Li1Mg14
16
187
405.69
mp-1028082
-6.933592
-11.109369
5.959163
other
Ba1Mg14Mn1
16
187
395.02
mp-1206746
-4.932611
-4.49158
5.596524
other
Pr1Si1Ag1
3
187
69.48
mp-1028349
-7.753176
-10.453288
6.300698
other
Mg14Nb1Ni1
16
187
333.56
mp-1245596
1.725317
2.305437
0.543292
other
Cs1Zn1N1
3
187
100.45
mp-1225311
-9.676663
-4.962559
4.198195
other
Dy1Be1Cu4
6
187
85.69
mp-1026351
-9.525095
2.057586
-3.988721
other
Te6Mo1W2
9
187
357.4
mp-1028092
-7.425972
-10.936142
5.498246
other
Li1Mg14Mn1
16
187
349.83
mp-1217567
-7.944226
-4.419759
4.673417
other
Tb1Cu1Ge1
3
187
58.37
mp-1026512
-7.66067
-10.453772
6.211955
other
Mg14Nb1Cd1
16
187
351.57
mp-1219722
-6.128037
-4.176835
0.885907
other
Pr1Ni1Sb1
3
187
69.66
mp-1028208
-7.157468
-10.93146
5.506837
other
Li1Mg14Al1
16
187
356.16
mp-1028155
-7.190073
-10.914191
5.865306
other
Ca1Mg14Mn1
16
187
369.48
mp-1026693
-6.887845
-11.075175
5.994512
other
Sr1Mg14Si1
16
187
374.81
mp-1027975
-7.603126
-10.995244
5.739052
other
Mg14V1Zn1
16
187
346.3
mp-1027981
-7.589603
-10.911548
5.515155
other
Mg14Zn1Fe1
16
187
331.01
mp-1028236
-7.215106
-11.005424
4.944812
other
Mg14Al1Bi1
16
187
371.14
mp-1217979
-4.1261
-5.42223
5.353562
other
Sr1Si1Ge1
3
187
73.72
mp-675700
-6.153055
-2.632189
-0.835755
other
Cr2Sb1Te1
4
187
75.49
mp-1218026
-8.20446
-3.637607
2.702258
other
Ta4Pd9Rh3
16
187
247.52
mp-1028286
-7.585828
-10.957855
5.680153
other
Mg14V1Cd1
16
187
352.33
mp-1026349
-9.100784
2.650988
-5.043035
other
Te2W3Se4
9
187
315.15
mp-9950
-3.949856
-5.749122
5.204748
other
Ba1Li1Si1
3
187
83.7
mp-1028222
-7.261224
-10.879593
5.411214
other
Mg14Al1Ga1
16
187
351.02
mp-1225881
-8.060428
-0.482637
4.792039
other
Gd1Co4Si1
6
187
82.83
mp-1026524
-7.764242
-10.097251
6.526982
other
Hf1Mg14Nb1
16
187
353.66
mp-1223811
-4.463696
-1.172843
-3.025639
other
K4Ta6Se12
22
187
536.6
mp-1210497
-5.745143
-1.549667
0.706902
other
Sm16Ni36P22
74
187
1,107.8
mp-1025575
-7.343308
1.641033
-4.627749
other
Mo1W2Se6
9
187
293.92
mp-1245648
1.710003
2.300637
1.169075
other
Zn1Ag1N1
3
187
45.54
mp-1027903
-7.148835
-11.292078
5.736213
other
Mg14Zn1C1
16
187
328.76
mp-1227046
-4.884304
-4.857448
5.070566
other
Ca1Si1Au1
3
187
63.93
mp-1245984
1.955038
2.517398
1.078472
other
Li1Sn1N1
3
187
48.54
mp-1026722
-7.246531
-10.653602
5.83031
other
La1Mg14Sb1
16
187
391.77
mp-1026588
-7.046489
-11.353326
5.484994
other
Mg14Sn1B1
16
187
343.25
mp-1227003
-4.200147
-5.239908
5.269454
other
Ca1Zn1Si1
3
187
65.02
mp-1225041
-4.879655
-4.463168
5.790934
other
Dy1Zn1Si1
3
187
58.24
mp-1028241
-7.839019
-11.061867
5.875685
other
Mg14Al1Mo1
16
187
338.27
mp-38021
-5.990372
-2.331237
0.933338
other
Cr2As1Se1
4
187
76.58
mp-680451
-5.715062
-1.599087
0.737465
other
Sm25Ni49P33
107
187
1,640.42
mp-1025584
-6.205332
2.232464
-5.572895
other
W3Se2S4
9
187
262.92
mp-1028377
-7.329951
-11.019417
5.012506
other
Mg14Co1Sb1
16
187
345.6
mp-1225316
-9.476013
-4.652495
4.288513
other
Dy1Al1Cu4
6
187
93.26
mp-1028077
-7.769411
-10.456942
6.349476
other
Hf1Mg14Mn1
16
187
352.01
mp-1027998
-7.347843
-11.027296
5.315276
other
Mg14Zn1Cu1
16
187
337.39
mp-1217294
-5.046082
-4.162592
5.813667
other
Th2Cu1Si3
6
187
121.08
mp-1080544
-2.45514
-1.303455
-4.111584
other
Gd3S3I3
9
187
341.63
mp-1206698
-8.251798
-5.848709
4.271676
other
Ce1Cd1Cu1
3
187
65.26
mp-1216535
-7.98015
-4.430786
4.737111
other
Tm1Cu1Ge1
3
187
55.34
mp-1028198
-7.421427
-10.494022
6.254126
other
Y1Mg14Al1
16
187
370.5
mp-1212765
-5.719032
-1.679398
0.686004
other
Pr25Ni49P33
107
187
1,681.51
mp-1225185
-7.971673
-6.920685
2.799609
other
Eu1Al1Ag4
6
187
125.55
mp-1028344
-6.846184
-11.149268
5.79353
other
Rb1Mg14Ni1
16
187
379.68
mp-1219065
-9.167644
-0.899803
3.205503
other
Sm1Fe1Ni4
6
187
84.5
mp-1026511
-6.685993
-11.263523
6.114397
other
Ba1Mg14C1
16
187
377.19
mp-1224846
-7.48413
-1.671652
2.50255
other
Fe1Ni1Sn1
3
187
44.84
mp-10615
-3.399745
-4.717676
1.051278
other
Ba1Li1P1
3
187
76.38
mp-1226922
-7.207487
-4.342985
5.172519
other
Ce2Ni1Ge3
6
187
123.42
mp-1026509
-6.649378
-11.391333
6.113396
other
Ba1Mg14B1
16
187
380.35
mp-1218354
-3.928807
-5.512822
5.359468
other
Sr1Be1Si1
3
187
64.68
mp-1219086
-8.704769
-0.611789
4.543776
other
Sm1Co4Ag1
6
187
93.4
mp-1098122
-7.198703
-10.580595
6.78334
other
K1Mg6Nb1
8
187
188.01
mp-1028229
-7.123528
-11.284314
5.778155
other
Mg14Al1C1
16
187
333.08
mp-1025649
-9.24697
1.879891
-3.664947
other
Te6Mo2W1
9
187
355.96