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-18440 | -4.389689 | -5.660892 | 0.531316 | other | Rb14Nb2As8 | 24 | 31 | 883.39 |
mp-505164 | -5.772166 | -2.25176 | -1.337004 | other | Nb4Te16Ir4 | 24 | 31 | 671.9 |
mp-1247901 | -3.425269 | -2.409361 | -3.42249 | other | Al6Mo8Se16 | 30 | 31 | 7,969.51 |
mp-3345 | -4.506208 | -1.263309 | -5.516539 | other | Cu6As2S8 | 16 | 31 | 288.42 |
mp-1096832 | -4.022903 | -1.378141 | -6.082926 | other | Al8Zn2S14 | 24 | 31 | 615.17 |
mp-756807 | 13.204504 | 0.403778 | 0.869047 | other | Fe6O6F6 | 18 | 31 | 210.16 |
mp-19219 | 10.460714 | 12.76464 | -2.816581 | other | Li6V2O8 | 16 | 31 | 167.15 |
mp-553946 | -5.582595 | -1.535913 | -3.070793 | other | Co2As2S2 | 6 | 31 | 88.05 |
mp-675930 | -4.682329 | -2.721788 | -3.867824 | other | In6As2Se6 | 14 | 31 | 444.9 |
mp-1245510 | 1.105976 | 2.495029 | 1.8533 | other | Mg6Mo2N8 | 16 | 31 | 204.77 |
mp-1045742 | 12.263371 | 11.157937 | -1.420748 | other | Mg2W4O12 | 18 | 31 | 220.87 |
mp-1045724 | 7.833496 | 10.784094 | -3.237759 | other | Mg2Cr4O12 | 18 | 31 | 189.36 |
mp-640885 | -6.157074 | -3.082183 | -2.233411 | other | Er4Cu12Te12 | 28 | 31 | 677.62 |
mp-778167 | 15.159608 | 12.56329 | -0.819736 | other | V6O8F4 | 18 | 31 | 200.47 |
mp-772052 | 8.807916 | 6.770896 | -3.834596 | other | Cd2Se2O8 | 12 | 31 | 170.11 |
mp-1079462 | -7.948038 | -4.031542 | 3.2212 | other | Sm2Ge4Pt4 | 10 | 31 | 191.45 |
mp-680327 | 9.009536 | 2.170376 | 1.587877 | other | K12Ta16F60 | 88 | 31 | 1,536.13 |
mp-9538 | -3.559286 | -1.196417 | -5.69839 | other | Ag6As2S8 | 16 | 31 | 361.34 |
mp-618964 | -3.747852 | -1.485371 | -5.23037 | other | Ba10Fe8S22 | 40 | 31 | 1,025.95 |
mp-777891 | 10.201637 | 0.504796 | 0.337923 | other | Li8Fe8F32 | 48 | 31 | 591.11 |
mp-1238810 | 1.68178 | 2.295836 | 1.528652 | other | Zr2Zn6N8 | 16 | 31 | 210.04 |
mp-1210288 | 11.830803 | 10.961496 | -2.081064 | other | Na6Mo2O8 | 16 | 31 | 244.88 |
mp-676117 | -6.955255 | -6.173733 | 3.632548 | other | Li4Cu2Ge2 | 8 | 31 | 105.18 |
mp-1079166 | -7.989421 | -3.998449 | 3.284974 | other | Tb2Ge4Pt4 | 10 | 31 | 187.91 |
mp-850834 | 10.609865 | 10.398225 | 3.186361 | other | Tb10Ti10O34 | 54 | 31 | 668.65 |
mp-1213320 | -5.944664 | -1.285288 | 0.850416 | other | Eu4Ni14P8 | 26 | 31 | 363.13 |
mp-1192813 | 12.41258 | 12.063663 | 1.822219 | other | Li4Ti8O16 | 28 | 31 | 285.81 |
mp-1205207 | 8.944929 | 2.204243 | 1.676747 | other | K12Ta16F60 | 88 | 31 | 1,654.23 |
mp-1220016 | -4.550907 | -3.692668 | -3.730545 | other | Rb6Yb14Se24 | 44 | 31 | 1,401.27 |
mp-1193472 | 11.523787 | 9.736518 | 0.745897 | other | U4Co6O16 | 26 | 31 | 420.64 |
mp-9197 | 12.379358 | 7.427039 | -4.672248 | other | Li6As2O8 | 16 | 31 | 165.15 |
mp-757487 | 14.777773 | 12.336504 | -0.845386 | other | V6O6F6 | 18 | 31 | 209.52 |
mp-23807 | 12.33164 | 5.530681 | -2.273908 | other | Al2H2O4 | 8 | 31 | 58.19 |
mp-1665973 | 7.617535 | 12.590146 | -0.795323 | other | Li12Fe4O12 | 28 | 31 | 294.93 |
mp-1178321 | 12.806937 | 0.824472 | 2.170552 | other | Fe10O6F14 | 30 | 31 | 361.83 |
mp-1102363 | 8.488843 | 8.129663 | -3.270562 | other | Fe2Si2O8 | 12 | 31 | 202.18 |
mp-755589 | 11.583697 | -0.243998 | 1.404605 | other | Mn6O2F10 | 18 | 31 | 234.31 |
mp-675954 | -6.000398 | -3.463327 | -2.205475 | other | Ga6Te6As2 | 14 | 31 | 422.73 |
mp-769365 | 8.859866 | 6.849367 | -3.928346 | other | Zn2Se2O8 | 12 | 31 | 148.03 |
mp-764777 | 10.20932 | 1.621023 | -2.099063 | other | Co6O6F6 | 18 | 31 | 184.58 |
mp-1044440 | 10.135162 | 9.589162 | -0.063223 | other | Pr2Sb4O12 | 18 | 31 | 261.47 |
mp-1211307 | 8.91478 | 8.203059 | -2.71019 | other | Li6Ge2O8 | 16 | 31 | 177.15 |
mp-755870 | 9.295969 | 8.709462 | 0.447451 | other | Na10Gd2O8 | 20 | 31 | 317.49 |
mp-626068 | 9.644173 | 12.101467 | -1.879389 | other | Mn2H2O4 | 8 | 31 | 67.28 |
mp-752456 | 12.480681 | 1.054188 | 2.510121 | other | Fe4O2F6 | 12 | 31 | 145.98 |
mp-2234625 | 10.903605 | 7.992774 | -7.387087 | other | Fe4P4O16 | 24 | 31 | 283.44 |
mp-1281666 | 6.879691 | 13.881657 | -1.555584 | other | Na4Co4O8 | 16 | 31 | 170.06 |
mp-1226258 | -6.303557 | -1.696071 | 1.416032 | other | Cr2Fe2As4 | 8 | 31 | 115.52 |
mp-1079841 | -7.942321 | -4.033264 | 3.283538 | other | Pr2Ge4Pt4 | 10 | 31 | 195.34 |
mp-997044 | 7.020321 | 6.225412 | -3.954271 | other | Cu2O4F2 | 8 | 31 | 86.76 |
mp-1211280 | -6.131492 | -1.314806 | 4.395298 | other | Nb24Fe24Si24 | 72 | 31 | 971.52 |
mp-756294 | 10.456726 | 11.958184 | 2.057071 | other | Li4Ti4O10 | 18 | 37 | 256.32 |
mp-28507 | -2.51264 | -2.215034 | -5.22624 | other | La16Nb14S44 | 74 | 37 | 1,569.93 |
mp-4117 | 12.755877 | 6.532655 | -0.884275 | other | Li4Si4O10 | 18 | 37 | 201.81 |
mp-767410 | 10.151684 | 7.85991 | -2.344414 | other | Bi12P4O30 | 46 | 37 | 705.36 |
mp-1001022 | -7.675372 | -4.401157 | 1.894369 | other | Cu4P2Pd4 | 10 | 37 | 135.7 |
mp-7998 | 11.79325 | 7.284508 | -1.001388 | other | Li4Ge4O10 | 18 | 37 | 224.85 |
mp-30205 | 9.988039 | 10.014667 | -1.612143 | other | Cr4Bi12O30 | 46 | 37 | 727.17 |
mp-1248520 | -4.052214 | -1.530362 | -5.73521 | other | Al20Bi12S48 | 80 | 37 | 1,903.69 |
mp-27229 | 10.527083 | 9.24304 | -1.670801 | other | Sb12S4O30 | 46 | 37 | 672.11 |
mp-1029469 | 2.255516 | 2.134401 | 1.505291 | other | Zn4Sn4N8 | 16 | 33 | 216.17 |
mp-569258 | -1.152242 | 1.539024 | -3.045754 | other | Ta16Se36I32 | 84 | 33 | 3,191.97 |
mp-25268 | 8.676389 | 7.695518 | -3.586827 | other | Co4Si4O16 | 24 | 33 | 410.29 |
mp-1245532 | 2.079029 | 2.23567 | 1.332352 | other | Li4Sb4N8 | 16 | 33 | 219.35 |
mp-752514 | -1.27873 | 1.937198 | -1.606132 | other | Ba4Sr4I16 | 24 | 33 | 1,282.46 |
mp-1247742 | 1.090642 | 2.125681 | 2.078141 | other | Al4V4N8 | 16 | 33 | 180.23 |
mp-761219 | 9.69279 | 9.197094 | 0.293305 | other | Na32Ti4O24 | 60 | 33 | 886.58 |
mp-560275 | 7.228665 | 2.860841 | -2.486293 | other | P12N12F24 | 48 | 33 | 934.3 |
mp-1181633 | 7.482301 | 10.034467 | -2.259102 | other | Cu16Cl16O16 | 48 | 33 | 941.4 |
mp-568423 | -0.944624 | 2.213181 | -3.199022 | other | Al4P4I32 | 40 | 33 | 1,931.86 |
mp-1211446 | -4.503942 | -2.816078 | -3.798322 | other | Li28P4Se24 | 56 | 33 | 1,144.16 |
mp-759101 | 11.907495 | 8.260407 | -7.649779 | other | Cr12P16O60 | 88 | 33 | 1,191.61 |
mp-7117 | -4.783494 | -3.127921 | -4.096955 | other | Li4Al4Se8 | 16 | 33 | 371.39 |
mp-28157 | 11.502233 | 4.393336 | -4.853505 | other | P8H24O24 | 56 | 33 | 627.03 |
mp-7614 | -3.996648 | -1.452306 | -5.653405 | other | Si4Ag32S24 | 60 | 33 | 1,190.17 |
mp-1265553 | 5.610498 | 10.498501 | -1.933837 | other | Al16Fe24O72 | 112 | 33 | 1,204.13 |
mp-1189393 | -2.624286 | -2.720527 | -5.648288 | other | Ho4Sc4S12 | 20 | 33 | 424.86 |
mp-1204796 | -4.980491 | -4.624235 | 0.383104 | other | Ce8Si8As24 | 40 | 33 | 913.74 |
mp-1029932 | 0.818453 | 2.596594 | 1.812835 | other | Li4V4N8 | 16 | 33 | 179.77 |
mp-3606 | 2.193336 | 2.187487 | 1.955644 | other | Mn4Si4N8 | 16 | 33 | 178.06 |
mp-685427 | 0.631719 | 1.877006 | -4.930612 | other | Hg60As32Cl48 | 140 | 33 | 3,945.39 |
mp-1029791 | 2.273773 | 2.130594 | 1.489734 | other | Mg4Sn4N8 | 16 | 33 | 223.15 |
mp-735436 | 7.969103 | 2.476725 | -1.226541 | other | Be8N16F32 | 56 | 33 | 1,231.57 |
mp-1220154 | -2.97213 | -2.68797 | -4.333364 | other | Nd4U8S20 | 32 | 33 | 722.66 |
mp-1192639 | 8.645011 | 0.757554 | 1.520015 | other | K8Be4F16 | 28 | 33 | 430.19 |
mp-734382 | 2.818394 | 2.929855 | -3.947466 | other | Zn12N24Cl48 | 84 | 33 | 2,908.36 |
mp-1217436 | -3.098973 | -2.831959 | -3.925762 | other | Th4U8S20 | 32 | 33 | 697.58 |
mp-12192 | 9.929019 | 10.585176 | 3.360674 | other | La16Ti16O56 | 88 | 33 | 1,113.55 |
mp-1247201 | 2.316331 | 2.126299 | 1.644794 | original | Al4In4N8 | 16 | 33 | 208.95 |
mp-556020 | 9.594697 | 0.952509 | 1.14425 | other | Li12Al4F24 | 40 | 33 | 370.28 |
mp-1247065 | 0.773754 | 2.436553 | 1.752613 | other | Li4Os4N8 | 16 | 33 | 196.45 |
mp-1189731 | 1.275428 | 2.142496 | -4.139528 | other | P4Br12O4 | 20 | 33 | 713.37 |
mp-725939 | -1.114756 | 2.639366 | -3.04782 | other | K4Hg4I12 | 20 | 33 | 990.79 |
mp-3677 | 2.660448 | 2.288505 | 1.727063 | other | Mg4Si4N8 | 16 | 33 | 169.7 |
mp-1232374 | -3.496913 | -4.022678 | 0.670862 | other | La8Si8P24 | 40 | 33 | 883.76 |
mp-3647 | -4.038553 | -1.423239 | -5.90604 | other | Li4Ga4S8 | 16 | 33 | 319.85 |
mp-657336 | 13.270824 | 7.347393 | -0.692369 | other | Mg8Si8O24 | 40 | 33 | 415.78 |
mp-1246728 | 1.877434 | 2.425598 | 1.07326 | other | Mg4Pb4N8 | 16 | 33 | 242.62 |
mp-1245348 | 2.159044 | 2.297771 | 1.817815 | other | Al40W8N56 | 104 | 33 | 1,242.42 |
mp-1245799 | 2.341901 | 2.221338 | 1.446677 | other | Al4Bi4N8 | 16 | 33 | 241.63 |
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