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-754906 | 5.277273 | 12.039067 | -2.441808 | other | Fe10O15F5 | 30 | 1 | 328.42 |
mp-756805 | 10.727525 | 12.356305 | -3.873639 | other | V3Ni1O8 | 12 | 1 | 216.28 |
mp-779359 | 5.094669 | 10.983054 | -2.368643 | other | Fe10O19F1 | 30 | 1 | 317.88 |
mp-676923 | 9.557148 | 8.60499 | -0.467819 | other | Cd4Bi12O22 | 38 | 1 | 667.27 |
mp-673825 | -1.784432 | 0.739662 | -5.142639 | other | Ag6S2I2 | 10 | 1 | 244.03 |
mp-1191643 | -4.012275 | -5.384687 | 5.309001 | other | Ba8Cu1Si16 | 25 | 1 | 735.79 |
mp-1173572 | 7.972172 | 11.299625 | 1.990041 | other | Sr16Mn8O29 | 53 | 1 | 840.79 |
mp-780862 | 12.113173 | -0.81327 | 0.986654 | other | Mn10O5F15 | 30 | 1 | 373.48 |
mp-780400 | 12.818727 | -1.144794 | 0.708563 | other | Mn12O10F14 | 36 | 1 | 419.8 |
mp-760098 | 11.235595 | 8.62423 | 2.393226 | other | Y15U6O36 | 57 | 1 | 811.08 |
mp-2219380 | 12.968219 | 10.942932 | -0.548034 | other | Mg1Mo4O8 | 13 | 1 | 209.99 |
mp-531130 | 9.553165 | 8.579309 | -0.552302 | other | Tl1Bi25O39 | 65 | 1 | 1,124.6 |
mp-1385392 | 7.792425 | 4.367335 | -1.294537 | other | V2O3F3 | 8 | 1 | 105.26 |
mp-758440 | 12.735233 | 13.299744 | -0.921023 | other | Li11V16O32 | 59 | 1 | 614.05 |
mp-673347 | 7.383888 | 4.756197 | -1.638181 | other | Nb4H4O12 | 20 | 1 | 239.48 |
mp-1354180 | 7.851587 | 5.087616 | -1.586091 | other | Sc7V9O24 | 40 | 1 | 461.4 |
mp-626085 | 14.050468 | 5.316968 | -1.08252 | other | Si4H4O10 | 18 | 1 | 235.96 |
mp-705665 | 13.001874 | 10.632687 | -0.311501 | other | Nd4Mo31O56 | 91 | 1 | 1,273.76 |
mp-762692 | 10.491389 | 12.932134 | -0.339445 | other | Li5Fe11O16 | 32 | 1 | 312.56 |
mp-788130 | 7.559354 | 5.127453 | -1.83613 | other | Sn16N16O8 | 40 | 1 | 534.97 |
mp-532178 | 7.650095 | 8.587323 | -1.400401 | other | Yb16Zr12O48 | 76 | 1 | 1,019.47 |
mp-753883 | 9.479004 | 8.516907 | 1.927664 | other | La4Bi2O9 | 15 | 1 | 300.06 |
mp-674421 | 8.525984 | 1.342124 | 0.731133 | other | Tl16Cu8F22 | 46 | 1 | 950.82 |
mp-685259 | 12.555747 | 9.752341 | 1.874437 | other | Y16Ti16O35 | 67 | 1 | 993.2 |
mp-1406304 | 7.645223 | 5.172805 | -1.826999 | other | V4O7F5 | 16 | 1 | 206.52 |
mp-1399651 | 7.030833 | 5.683475 | -2.708542 | other | Na2I2O8 | 12 | 1 | 190.91 |
mp-766056 | 11.894324 | -0.489343 | 1.129818 | other | Mn12O5F19 | 36 | 1 | 439.32 |
mp-2233763 | 6.474451 | 13.364062 | -2.179457 | other | Mg1Co4O8 | 13 | 1 | 168.4 |
mp-774383 | 12.141616 | 3.130276 | 0.991736 | other | V8O6F18 | 32 | 1 | 396.92 |
mp-694948 | 11.950582 | 12.605333 | 0.666525 | other | Ti16Fe16O48 | 80 | 1 | 868.1 |
mp-850942 | 12.258477 | -0.837122 | 0.936335 | other | Mn12O7F17 | 36 | 1 | 444.12 |
mp-729505 | 7.914732 | 3.406912 | -5.549609 | other | Na4C12O12 | 28 | 1 | 342.31 |
mp-1376731 | 6.769154 | 9.236373 | -1.247668 | other | Zn2Bi4O10 | 16 | 1 | 255.85 |
mp-753233 | 10.907824 | 8.665118 | -1.43072 | other | Sb6O5F8 | 19 | 1 | 372.8 |
mp-802236 | 8.231147 | 3.752742 | -1.238612 | other | Mn5O1F11 | 17 | 1 | 255.64 |
mp-1305634 | 7.396581 | 12.546098 | -2.308461 | other | Co6Te2O16 | 24 | 1 | 309.63 |
mp-759822 | 10.229385 | 2.444329 | 0.082566 | other | V6O2F22 | 30 | 1 | 419.19 |
mp-754095 | 9.746894 | 0.508664 | 0.65861 | other | Li3Cu4F9 | 16 | 1 | 184.44 |
mp-1178261 | 11.727166 | 7.948875 | 0.023935 | other | Ga12N4O12 | 28 | 1 | 375.9 |
mp-1346713 | 7.494757 | 4.946302 | -1.512842 | other | La9Er1O15 | 25 | 1 | 410.05 |
mp-1041206 | 12.949613 | 10.700666 | 0.008601 | other | Mg6Mo12O24 | 42 | 1 | 542.82 |
mp-676724 | -6.019116 | -3.508363 | -2.043941 | other | Ca2Al12Te20 | 34 | 1 | 1,236.68 |
mp-755992 | 5.885886 | 12.331095 | -2.435069 | other | Fe6O8F4 | 18 | 1 | 205.03 |
mp-752933 | 9.411487 | 0.784959 | -0.582008 | other | Cu6O1F11 | 18 | 1 | 213.09 |
mp-2229132 | 11.085443 | 10.882328 | -3.346321 | other | Mg1Mo4O12 | 17 | 1 | 217.78 |
mp-1388887 | 10.740664 | 12.539712 | -0.521672 | other | Zn4Fe4O8 | 16 | 1 | 182.7 |
mp-626819 | 9.974459 | 5.212026 | -4.090231 | other | Re2H6O10 | 18 | 1 | 216.57 |
mp-758718 | 11.803903 | -0.517497 | 1.186303 | other | Mn12O5F19 | 36 | 1 | 452.33 |
mp-1217440 | -8.575031 | 1.382562 | -3.133298 | other | Te16Mo9Ru3 | 28 | 1 | 727.11 |
mp-1195858 | -3.970064 | -4.919119 | 5.752106 | other | Na8Ga8Si38 | 54 | 1 | 1,122.57 |
mp-755469 | 13.313321 | 0.498205 | 1.443517 | other | Fe6O5F7 | 18 | 1 | 214.32 |
mp-777824 | 13.333838 | 0.462076 | 1.455642 | other | Fe6O5F7 | 18 | 1 | 213.98 |
mp-764744 | 11.381953 | 2.94344 | 1.335006 | other | V2O1F5 | 8 | 1 | 99.83 |
mp-674976 | 10.541515 | 9.804952 | 3.969929 | other | Zr9Sc1O20 | 30 | 1 | 347.39 |
mp-625774 | 11.667993 | 4.175901 | -3.874733 | other | Al8H24O24 | 56 | 1 | 431.78 |
mp-1217487 | 11.50947 | 8.300892 | -2.918109 | other | Te1As2O4 | 7 | 1 | 123.01 |
mp-756004 | 11.938493 | 0.724166 | -0.104141 | other | Fe6O7F5 | 18 | 1 | 204.01 |
mp-1101576 | 13.002442 | 7.061136 | -6.310125 | other | Sb5P6O24 | 35 | 1 | 532.69 |
mp-2224247 | 12.640823 | 13.06683 | -1.320759 | other | Mg1V5O10 | 16 | 1 | 183.64 |
mp-1227682 | 8.616988 | 7.666879 | -2.463786 | other | Ca6Si3O15 | 24 | 1 | 338.44 |
mp-1023371 | 7.768531 | 3.788409 | -1.178609 | other | Sn4S1F6 | 11 | 1 | 231.46 |
mp-775849 | 1.887036 | 1.765049 | 2.790721 | other | Zr16N16O8 | 40 | 1 | 518.48 |
mp-764736 | 13.744552 | 12.240922 | -3.383087 | other | V4O5F7 | 16 | 1 | 196.87 |
mp-1101027 | -4.853943 | 0.343123 | -4.750759 | other | Tl3V24S32 | 59 | 1 | 1,077.42 |
mp-1219203 | -2.977577 | -3.658599 | 0.982178 | other | Si3P3Rh1 | 7 | 1 | 116.32 |
mp-753316 | 8.94238 | 0.901024 | -0.367122 | other | Li2Ag1F5 | 8 | 1 | 106.89 |
mp-1101556 | 8.872262 | 7.965603 | -5.147845 | other | Fe9P12O48 | 69 | 1 | 938.76 |
mp-779163 | 5.478963 | 12.283775 | -2.457406 | other | Fe10O14F6 | 30 | 1 | 331.8 |
mp-675943 | 8.588839 | 2.172881 | 1.661305 | other | K3U1F3 | 7 | 1 | 234.44 |
mp-1198945 | 5.381303 | -0.4032 | -3.001979 | other | Mg4B8H24 | 36 | 1 | 544.68 |
mp-530728 | 10.721468 | 9.350165 | 3.316957 | other | Sc22Nb6O48 | 76 | 1 | 887.41 |
mp-1097834 | 12.518627 | 10.538658 | -0.027281 | other | K4W4O10 | 18 | 1 | 271.44 |
mp-861249 | 10.773778 | 10.105511 | 3.824814 | other | Zr11V1O24 | 36 | 1 | 434.99 |
mp-1638858 | 9.772243 | 12.734601 | -0.26465 | other | Li16Fe10O20 | 46 | 1 | 524.82 |
mp-778182 | 12.808434 | 0.870345 | 2.164341 | other | Fe10O6F14 | 30 | 1 | 355.91 |
mp-759277 | 12.733734 | -1.119129 | 0.689434 | other | Mn12O10F14 | 36 | 1 | 428.92 |
mp-675307 | -5.511035 | -0.753088 | -4.139916 | other | Fe10Ni14S32 | 56 | 1 | 842.34 |
mp-764375 | 9.816147 | 1.802019 | 0.703994 | other | Li12V6F36 | 54 | 1 | 668.64 |
mp-757336 | 1.679429 | 1.806185 | 2.956727 | other | Hf16N16O8 | 40 | 1 | 502.01 |
mp-1215806 | -7.266331 | -1.658002 | 2.848977 | other | Zn4Si8Ni12 | 24 | 1 | 281.2 |
mp-1220999 | 8.57051 | 1.290743 | 1.864365 | other | Na3Nd3F12 | 18 | 1 | 234.98 |
mp-765702 | 12.79048 | -0.119113 | -0.004377 | other | Mn6O7F5 | 18 | 1 | 200.74 |
mp-2241458 | 11.066144 | 12.516638 | -3.635628 | other | Mg1V4O10 | 15 | 1 | 261.48 |
mp-1638660 | 8.107704 | 13.015363 | -0.728797 | other | Li8Co5O10 | 23 | 1 | 254.55 |
mp-1181677 | 8.187226 | 4.196408 | -4.559472 | other | H16N8O12 | 36 | 1 | 416.49 |
mp-1100996 | -3.966685 | -1.371441 | -5.736237 | other | Tl1In5S8 | 14 | 1 | 354.22 |
mp-776361 | 1.304369 | 1.870124 | 2.747993 | other | Ti16N16O8 | 40 | 1 | 428.02 |
mp-673837 | 6.229496 | 8.600206 | -0.098326 | other | Ba8Bi4O17 | 29 | 1 | 568 |
mp-676889 | -3.057196 | -1.508347 | -5.322715 | other | Ba11Ta6S26 | 43 | 1 | 1,167.69 |
mp-757016 | 11.264239 | 12.912062 | 0.08008 | other | Ti5Fe7O18 | 30 | 1 | 327.02 |
mp-775802 | 1.880996 | 1.764049 | 2.824463 | other | Zr16N16O8 | 40 | 1 | 522.89 |
mp-1173577 | 10.445938 | 12.327384 | -4.10893 | other | Na1V6O15 | 22 | 1 | 416.56 |
mp-2217203 | 12.820633 | 12.789326 | -0.936363 | other | Mg1V3O6 | 10 | 1 | 115.05 |
mp-754837 | 1.708635 | 1.79273 | 2.982471 | other | Hf8N8O4 | 20 | 1 | 252.65 |
mp-858629 | 7.615303 | 4.993341 | -1.736895 | other | Hf16N16O8 | 40 | 1 | 512.67 |
mp-1178306 | 5.196932 | 11.624271 | -2.34048 | other | Fe6O10F2 | 18 | 1 | 195.05 |
mp-756028 | 15.06366 | 12.46073 | -0.789704 | other | V6O7F5 | 18 | 1 | 204.74 |
mp-804341 | 10.043029 | 13.962771 | -0.906471 | other | Li4Cr8O16 | 28 | 1 | 294.21 |
mp-685674 | 12.978223 | 10.086983 | 2.280449 | other | Nb40N21O16 | 77 | 1 | 994.13 |
mp-780467 | 10.487967 | 2.243148 | -0.203446 | other | V6O5F19 | 30 | 1 | 431.16 |
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