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-567822
-6.579411
-6.76455
3.218916
other
Sr3In11
14
71
399.77
mp-1094288
-4.901003
-7.437881
3.556731
other
Sr2Mg1
3
71
127.53
mp-1222226
-7.823907
-7.150485
3.502684
other
Pr12Cd72
84
71
2,050.94
mp-1225485
-7.755847
-7.180644
3.409891
other
Ho12Cd72
84
71
1,950.01
mp-1397070
8.708862
1.930174
-0.726058
other
Cr1F5
6
71
95.2
mp-27710
-4.001415
1.509338
2.831867
other
Cr1B4
5
71
36.82
mp-569529
-5.618911
-6.138344
0.933027
other
Ba2Bi3
5
71
198.62
mp-784631
-7.947253
-0.920196
2.998836
other
Cr1Ni2
3
71
31.8
mp-1104100
-6.711299
-4.686635
6.176454
other
Nd3Al11
14
71
281.95
mp-29266
-3.582817
-1.35198
-5.116884
original
Cs2S2
4
71
172.99
mp-1207654
-6.199786
-3.482741
4.151315
other
Zr54Os17
71
71
1,486.56
mp-1104161
-9.18255
-6.319501
4.794202
other
Dy3Zn11
14
71
242.52
mp-2479851
-7.724598
-10.862454
5.303128
other
Mg3Cu1
4
71
76.2
mp-1178808
-7.468969
-1.435993
3.729835
other
V16Ir16
32
71
447.05
mp-1104325
-9.18431
-6.259223
4.773648
other
Tb3Zn11
14
71
244.44
mp-10142
-4.767854
0.220893
3.14156
other
Ta3B4
7
71
72.39
mp-12611
-6.31354
-6.18234
4.254008
other
Ca3Ga8
11
71
233.95
mp-1209415
-4.032252
-6.982321
1.904769
other
Rb4C1
5
71
274.62
mp-1181754
-5.30089
-4.281994
0.4587
other
Cu6As8
14
71
256.17
mp-1101830
-7.139724
-5.532508
4.411717
other
Yb3Ga8
11
71
234.79
mp-29807
-5.222044
-2.669815
3.090431
other
Hf27P16
43
71
752.42
mp-568048
-6.401792
-3.278564
4.398346
other
Hf54Os17
71
71
1,434.8
mp-684664
-5.695772
-5.452895
0.70261
other
Ga1Sb1
2
71
48.17
mp-1103573
-9.041552
-6.539536
5.016606
other
Sm3Zn11
14
71
260.76
mp-784630
-7.108811
-0.674308
3.095289
other
Ni2Mo1
3
71
36.1
mp-1389909
8.412048
2.217344
-0.870081
other
Sb1F5
6
71
78.32
mp-1096922
0.685096
3.077852
1.552414
other
Cr18N36
54
71
1,281.18
mp-1019239
4.750207
3.489762
-3.666555
other
Pd1N2
3
71
55.8
mp-1390563
9.49174
2.765152
0.31905
other
W1F5
6
71
78.1
mp-1096962
0.691758
3.079053
1.546197
other
Cr32N64
96
71
2,443.39
mp-7895
7.492756
5.650966
-3.002062
other
Rb2O2
4
71
88.54
mp-1213691
5.682191
2.20383
-2.88669
other
Cs4C60
64
71
852.57
mp-1181334
6.789818
6.314805
-3.508356
other
Fe4O13
17
71
195.09
mp-1077779
-4.187685
-4.138176
-3.642477
other
Er2Se4
6
71
144.59
mp-1071473
-6.574886
-4.392213
4.891387
other
Tb1Ge5
6
71
121.44
mp-7896
7.302631
5.671822
-2.78487
other
Cs2O2
4
71
105.42
mp-1071531
0.584379
2.09316
2.08456
other
Re2N4
6
71
68.67
mp-574085
-7.093449
-5.689002
3.600427
other
Dy5Sn13
18
71
470.5
mp-25206
6.921239
10.656347
-1.854136
other
Ni1O2
3
71
43.56
mp-1080248
-4.306315
-4.753772
-3.382874
other
Ce2Se4
6
72
290.56
mp-990441
9.670016
4.392258
-4.084483
other
H16O8
24
72
198.85
mp-1179443
-4.447126
-2.958832
-3.838431
other
Si2Se4
6
72
187.37
mp-25208
7.644853
9.180267
-1.828517
other
Bi4O8
12
72
214.53
mp-30851
-7.919464
-3.138164
2.803504
other
Ti6Pt10
16
72
246.56
mp-1365
-5.942293
-2.705428
4.044789
other
Ti12Ge10
22
72
349.49
mp-1014478
0.976658
2.622471
1.620888
other
Cr2N4
6
72
105.64
mp-30139
-0.183995
1.286022
-4.379084
other
Be2Br4
6
72
168.55
mp-768203
3.846451
-0.614143
-2.362247
other
Be6H12
18
72
140.32
mp-1011377
-4.13996
-4.09516
-3.305955
other
Ce2Se4
6
72
159.76
mp-568264
-4.445771
-2.958762
-3.840604
other
Si2Se4
6
72
183.08
mp-504746
-5.72023
-4.1467
0.566259
other
Cu10As4
14
72
187.78
mp-23267
1.787669
2.368793
-4.924454
other
Be2Cl4
6
72
139.54
mp-1602
-3.310222
-1.781964
-5.660695
other
Si2S4
6
72
156.65
mp-1770
-7.187522
-10.759546
5.080068
other
Mg10Ga4
14
72
281.31
mp-672313
-7.376409
-6.072877
4.255883
other
Sc12Pb10
22
72
542.66
mp-600084
15.48191
5.701384
0.33
other
Si32O64
96
72
1,733.08
mp-1209024
-7.390224
-5.533676
3.966269
other
Sc12Sn10
22
72
516.74
mp-976
-6.02387
-1.106694
4.01105
other
V12Si10
22
72
283.13
mp-570886
-1.034106
2.515921
-3.118954
other
Be2I4
6
72
221.55
mp-22570
-7.042601
-9.851696
4.666071
other
Mg10In4
14
72
319.14
mp-568313
-4.043642
-2.68542
-3.198922
other
Si2Se4
6
72
239.97
mp-1210614
-7.463013
-6.62325
5.491547
other
Lu12Pb10
22
72
595.65
mp-696717
9.450315
4.852375
-4.130383
other
H14O8
22
72
171.36
mp-570849
-6.708748
-10.16676
4.41824
other
Mg10Tl4
14
72
319.78
mp-865014
-8.052564
-10.329751
5.291728
other
Mg4Cu2
6
72
110.4
mp-1071820
14.94022
5.678796
-0.074943
other
Si2O4
6
72
81.96
mp-1080275
-4.045574
-3.692657
-3.314544
other
Ce2Se4
6
72
724.66
mp-15659
-6.792243
-3.571299
0.977741
other
Sb4Pt6
10
72
192.85
mp-1180312
17.023109
9.503199
7.687425
other
Mg8O8
16
72
183.24
mp-1207512
-8.777765
-5.79492
2.269816
other
Zn24Au40
64
72
1,006.95
mp-7905
14.904233
5.73881
-0.122759
other
Si2O4
6
72
85.17
mp-754338
8.774681
8.952554
-1.148232
other
Ag8O4
12
72
197.8
mp-1192043
16.996445
9.513957
7.654669
other
Mg12O12
24
72
270.71
mp-632686
-7.091521
-0.986029
3.724444
other
Mn10Ge4
14
72
181.83
mp-1178476
7.227067
10.854277
-1.102334
other
Cu6O8
14
72
148.65
mp-2247
5.050166
3.359813
-3.56864
other
Ag2N6
8
72
115.16
mp-25333
7.430673
8.964129
-1.511418
other
Bi4O8
12
72
185.32
mp-1182888
-4.708411
-4.829173
0.205483
other
Al8As16
24
73
528.27
mp-1182873
-3.334258
-3.837746
0.746648
other
Al8P16
24
73
433.05
mp-1191099
-4.716169
-4.804252
0.202698
other
Al8As16
24
73
508.38
mp-1191644
4.814034
0.369424
-3.232536
other
H16S8
24
73
364.77
mp-1217494
-4.116957
-3.568989
-2.410265
other
U11Se20
31
75
769.58
mp-850083
-4.880721
-0.871241
-4.56631
other
Fe8S10
18
75
627.49
mp-1217564
-3.151404
-2.649777
-3.956555
other
U11S20
31
75
689.37
mp-29783
6.202019
0.214812
-3.315382
other
B40H72
112
76
1,153.59
mp-541113
-3.50664
-4.069946
0.603395
other
Cs12P28
40
76
1,414.18
mp-721582
4.783051
0.469854
-3.280118
other
H32S16
48
77
775.99
mp-1338697
6.202019
0.214812
-3.315382
other
B40H72
112
78
1,153.59
mp-557933
15.584636
5.68383
0.375676
other
Si24O48
72
74
1,242.05
mp-1071835
-9.451397
-4.924735
4.524267
other
Dy2Cu4
6
74
104.4
mp-1025122
-9.421247
-4.959782
4.452276
other
Lu2Cu4
6
74
99.1
mp-22140
-6.23032
-4.195449
2.89161
other
Pu2Pd2
4
74
70.14
mp-1080762
-7.313908
-4.455815
5.171242
other
Np2Ga8
10
74
184.19
mp-567258
-8.639476
-6.523911
4.955247
original
La2Zn4
6
74
132.72
mp-1227358
-3.492617
-3.763544
0.648497
other
Be2P4
6
74
97.01
mp-1025126
-2.669762
-5.294389
6.949905
other
Mg2Si4
6
74
102.03
mp-600000
15.757743
5.598204
0.415792
other
Si8O16
24
74
445.27
mp-1100459
-3.08401
-5.092638
6.747716
other
Mg2Si4
6
74
96.37
mp-1436
-7.943721
-6.961147
3.021456
other
Eu2Ag4
6
74
145.93
mp-1077442
-8.792408
-6.115639
2.988628
other
Ce2Au4
6
74
137.74