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-1245759 | 2.247831 | 2.206861 | 1.442145 | other | Mg2Cd1N2 | 5 | 164 | 65.41 |
mp-1205863 | 8.790129 | 1.842494 | 1.114806 | other | Rb2Re1F6 | 9 | 164 | 147.95 |
mp-1213694 | -0.469915 | 1.364758 | -4.69327 | other | Cs3Tl2Br9 | 14 | 164 | 515.59 |
mp-1069695 | -5.915303 | -6.308074 | 0.734968 | other | Sr1Mg2Bi2 | 5 | 164 | 161.26 |
mp-1225370 | -8.23431 | -6.461665 | 5.142562 | other | Dy2Cd2In2 | 6 | 164 | 150.26 |
mp-1017559 | -4.909262 | -4.944461 | 0.225695 | other | Eu1Zn2As2 | 5 | 164 | 108.64 |
mp-1245585 | 0.590089 | 2.465041 | 1.904394 | other | Mn2In1N2 | 5 | 164 | 66.34 |
mp-7120 | -4.408213 | -4.705836 | 6.105035 | other | Sm1Al2Si2 | 5 | 164 | 102.98 |
mp-3236 | 10.565531 | 7.975457 | 2.881569 | other | Pr2S1O2 | 5 | 164 | 95.71 |
mp-1226212 | -6.394038 | -3.036446 | 0.699737 | other | Cr1Ni1Sb2 | 4 | 164 | 76.46 |
mp-1245927 | 1.406218 | 1.720769 | 2.587296 | other | Ti2S1N2 | 5 | 164 | 61.41 |
mp-9912 | -3.856586 | -4.048611 | 0.816072 | other | Li2Ce1P2 | 5 | 164 | 99.3 |
mp-9570 | -3.514489 | -4.443185 | 0.898948 | other | Ca1Cd2P2 | 5 | 164 | 112.57 |
mp-1218042 | -6.901897 | -0.372623 | 3.676677 | other | Ta2Co8Mo2 | 12 | 164 | 148.65 |
mp-1220203 | -8.187436 | -6.449356 | 5.09419 | other | Nd2Cd2In2 | 6 | 164 | 161.45 |
mp-1226467 | 10.309778 | 9.496951 | 3.79089 | other | Ce1Zr2O6 | 9 | 164 | 108.64 |
mp-1227322 | -6.827582 | -4.529669 | 0.473952 | other | Bi2Pd1Pt1 | 4 | 164 | 91.31 |
mp-28479 | 0.936383 | 1.128282 | -3.754776 | other | Sc2C1Cl2 | 5 | 164 | 103.45 |
mp-1222093 | -6.704544 | -10.393999 | 4.080776 | other | Mg6Sn2Ge1 | 9 | 164 | 218.58 |
mp-1219130 | -8.593656 | -1.016973 | 5.09596 | other | Sm6Ga6Co12 | 24 | 164 | 395.05 |
mp-1246647 | 0.68921 | 2.307922 | 2.036623 | other | Li2Re1N2 | 5 | 164 | 57.25 |
mp-1218020 | -4.235316 | -0.37435 | -3.41892 | other | Ta2Fe1S4 | 7 | 164 | 114.01 |
mp-7949 | 8.636889 | 0.976853 | 1.105291 | other | Rb2Ge1F6 | 9 | 164 | 139.26 |
mp-1048589 | -3.969318 | -0.17936 | -4.477386 | other | Ca1Ti8S16 | 25 | 164 | 519.4 |
mp-1225590 | -7.853254 | -6.423509 | 3.660565 | other | Er2Ag2Sn2 | 6 | 164 | 149.14 |
mp-1227083 | -6.059901 | -3.11861 | -2.058887 | other | Ca1Mn2Te3 | 6 | 164 | 163.76 |
mp-1095424 | -5.550473 | -4.134912 | 0.460489 | other | Pr4Mn2As5 | 11 | 164 | 270.6 |
mp-1245947 | 1.98158 | 2.57712 | 1.006978 | other | Li2Pb1N2 | 5 | 164 | 57.58 |
mp-1215227 | -5.414741 | -2.352862 | -1.439776 | other | Zr1Ta1Te4 | 6 | 164 | 184.55 |
mp-28938 | 1.009508 | 2.286003 | -3.993784 | other | Nb6Te2Cl14 | 22 | 164 | 555.39 |
mp-1069042 | -5.525096 | -5.685852 | 0.620825 | other | Eu1Zn2Sb2 | 5 | 164 | 132.56 |
mp-1018763 | -5.578097 | -5.535073 | 0.751135 | other | Li3Dy1Sb2 | 6 | 164 | 127.24 |
mp-19150 | 11.126409 | 11.632954 | 0.312233 | other | Ba5V5O15 | 25 | 164 | 339.45 |
mp-1027358 | -8.305828 | 2.424562 | -4.107522 | other | Te4Mo4S4 | 12 | 164 | 389.15 |
mp-9386 | -4.523557 | -2.597779 | -4.328681 | other | Cs1Au3Se2 | 6 | 164 | 189.23 |
mp-2222947 | 7.005488 | 13.608704 | -1.681822 | other | Mg1Co2O4 | 7 | 164 | 77.83 |
mp-1206723 | -4.288917 | -3.96258 | -3.881652 | other | Ho1Cu1Se2 | 4 | 164 | 86.39 |
mp-1018630 | -4.751993 | -4.904758 | 0.450168 | other | Ca1Be2As2 | 5 | 164 | 88.55 |
mp-1220413 | -4.108633 | -0.190124 | -3.650475 | other | Nb2Se2S2 | 6 | 164 | 132.4 |
mp-1216188 | -5.730577 | -3.156827 | 3.627066 | other | Zr37Mo15P4 | 56 | 164 | 1,165.26 |
mp-1247236 | 4.571787 | 2.210522 | -3.169125 | other | Cr1C8N6 | 15 | 164 | 262.93 |
mp-2225359 | -5.239851 | -0.780481 | -4.864059 | other | Mg1Ni2S4 | 7 | 164 | 113.62 |
mp-1245789 | 4.642469 | 2.311309 | -3.211702 | other | Ru1C8N6 | 15 | 164 | 270.67 |
mp-1030393 | -8.956505 | 2.638021 | -3.96239 | other | Te4Mo4Se4 | 12 | 164 | 400.2 |
mp-10521 | -6.288051 | -5.15758 | 5.206367 | other | Y1Al2Ge2 | 5 | 164 | 105.58 |
mp-1029258 | 1.930877 | 1.99604 | 1.495349 | other | Ca1Zn2N2 | 5 | 164 | 61.61 |
mp-1206487 | -5.207103 | -5.118892 | 0.44006 | other | Yb1Cd2As2 | 5 | 164 | 122.2 |
mp-1207467 | -4.573303 | -1.597641 | -6.354209 | other | Zn4In1S6 | 11 | 164 | 238.57 |
mp-27377 | 10.331547 | 9.991476 | 3.871982 | other | K4Zr5O12 | 21 | 164 | 308.09 |
mp-12673 | 10.871162 | 7.98958 | 2.874865 | other | Lu2S1O2 | 5 | 164 | 75.23 |
mp-1206963 | -4.060834 | -1.333951 | -5.841544 | other | Mg2Ga2S5 | 9 | 164 | 182.46 |
mp-1018764 | -5.578662 | -5.492245 | 0.767786 | other | Li3Ho1Sb2 | 6 | 164 | 126.41 |
mp-1220353 | -7.776262 | -6.995708 | 3.89174 | other | Nd2Ag2Pb2 | 6 | 164 | 172.1 |
mp-999454 | -4.892387 | -0.121375 | -5.2148 | other | Na1V1S2 | 4 | 164 | 72.96 |
mp-3583 | 1.674096 | 1.528419 | 2.4452 | other | U2As1N2 | 5 | 164 | 86.69 |
mp-1215869 | -8.255788 | -5.233379 | 3.120244 | other | Yb4Cd2Pd6 | 12 | 164 | 234.25 |
mp-1245945 | 2.090845 | 2.317083 | 1.0657 | other | K2Sn1N2 | 5 | 164 | 110.55 |
mp-755570 | -5.357011 | -1.009495 | -4.51082 | original | Li1Ni2S2 | 5 | 164 | 70.11 |
mp-1018640 | -4.420467 | -1.540923 | -5.753557 | other | Tm1Cu2S2 | 5 | 164 | 83.78 |
mp-754407 | -4.719303 | -1.08546 | -5.422589 | other | Li2Fe1S2 | 5 | 164 | 76.32 |
mp-1078546 | 8.353866 | 2.256313 | -1.056894 | other | Si1N2F6 | 9 | 164 | 100.51 |
mp-1225389 | -5.52855 | -1.860591 | 4.941308 | other | Dy2Fe4Si9 | 15 | 164 | 215.64 |
mp-1044996 | 12.923246 | 12.311712 | -0.432466 | other | Y4V12O24 | 40 | 164 | 519.75 |
mp-1227375 | -5.556015 | -1.341127 | 4.51087 | other | Be8Cr2Mo2 | 12 | 164 | 116.07 |
mp-29113 | -4.59791 | -4.533771 | 6.065537 | other | Ce3Al4Si6 | 13 | 164 | 265.16 |
mp-1224997 | -6.319136 | -2.694197 | -1.177362 | other | Fe1Ag1Te2 | 4 | 164 | 87.58 |
mp-8278 | -3.181483 | -4.255646 | 0.787971 | other | Ba1Mg2P2 | 5 | 164 | 126.38 |
mp-1222379 | -7.954608 | -4.66534 | 4.799084 | other | Lu2Cu2Ge2 | 6 | 164 | 115.43 |
mp-1079364 | 8.647103 | 1.570308 | 1.149594 | other | Cs2Tc1F6 | 9 | 164 | 167.87 |
mp-27501 | 1.241773 | 2.349146 | -5.8843 | other | Cs2Th1Cl6 | 9 | 164 | 307.39 |
mp-7432 | -5.568095 | -5.907384 | 0.678615 | other | Sr1Cd2Sb2 | 5 | 164 | 154.41 |
mp-1079657 | 8.300196 | 2.224696 | -1.048478 | other | Ge1N2F6 | 9 | 164 | 115.13 |
mp-5739 | 1.742647 | 1.605409 | 2.515236 | other | U2S1N2 | 5 | 164 | 84.84 |
mp-8579 | -3.422094 | -1.858147 | -5.65967 | other | Ba1Ag2S2 | 5 | 164 | 121.62 |
mp-1027492 | -5.796278 | 1.729377 | -4.564137 | other | Mo4Se4S4 | 12 | 164 | 328.05 |
mp-1215525 | -6.24879 | -3.478058 | 0.714951 | other | Zn1Fe1Sb2 | 4 | 164 | 80.14 |
mp-1018781 | -5.521701 | -5.51367 | 0.707014 | other | Li3Sm1Sb2 | 6 | 164 | 131.61 |
mp-1206607 | -1.151299 | 1.085161 | -1.390049 | other | La2As1I2 | 5 | 164 | 189.15 |
mp-1045038 | 11.397071 | 12.884676 | 0.051988 | other | Y4Cr12O24 | 40 | 164 | 503.7 |
mp-19755 | -4.011343 | -0.182279 | -4.484227 | other | Li1Ti3S6 | 10 | 164 | 218.51 |
mp-1219372 | -8.715698 | -0.182829 | 4.519401 | other | Sm4Hf2Co32 | 38 | 164 | 502.74 |
mp-5498 | -5.63982 | -3.699731 | 0.582451 | other | Ca1Mn2As2 | 5 | 164 | 96.95 |
mp-1018691 | 2.862659 | -0.427466 | -2.243245 | other | Eu2H3Br1 | 6 | 164 | 101.72 |
mp-18075 | 8.828024 | 1.276721 | 1.0936 | other | Na6Ti3F18 | 27 | 164 | 350.01 |
mp-1226506 | 10.027432 | 8.788275 | 3.247653 | other | Ce1Th2O6 | 9 | 164 | 128.15 |
mp-1206265 | -0.422135 | 0.571162 | -1.383992 | other | La2Si2I2 | 6 | 164 | 188.63 |
mp-1006146 | -6.058669 | -6.248355 | 0.739893 | other | Eu1Mg2Bi2 | 5 | 164 | 157.68 |
mp-1225317 | -7.917254 | -6.504186 | 3.768707 | other | Dy2Ag2Sn2 | 6 | 164 | 151.24 |
mp-1079795 | -4.827595 | -0.913076 | -5.266411 | other | Ga2Fe2S5 | 9 | 164 | 171.94 |
mp-1245787 | 0.515559 | 2.584774 | 1.864039 | other | Mn1Ni2N2 | 5 | 164 | 44.28 |
mp-1227448 | -8.621199 | -2.792777 | 2.44486 | other | Ca1B4Pt6 | 11 | 164 | 171.1 |
mp-3211 | 10.482344 | 8.013362 | 2.943713 | other | Nd2S1O2 | 5 | 164 | 93.13 |
mp-15801 | 12.478302 | 9.393694 | 1.976768 | other | Zr3P1O2 | 6 | 164 | 86.5 |
mp-1094037 | 12.665925 | 9.674412 | 1.5932 | other | Ti6H4O8 | 18 | 164 | 163.72 |
mp-1217625 | -7.886337 | -6.474225 | 3.711817 | other | Tb2Ag2Sn2 | 6 | 164 | 152.07 |
mp-21478 | -4.106886 | -3.855766 | 0.773877 | other | U1Cu2P2 | 5 | 164 | 84.13 |
mp-1218976 | -5.804225 | -3.492495 | -2.040871 | other | Sn2Ge1Te3 | 6 | 164 | 186.36 |
mp-27775 | 10.573217 | 9.467113 | 0.851072 | other | U1Bi2O6 | 9 | 164 | 124.36 |
mp-13974 | 10.933651 | 7.858736 | 2.899204 | other | Ho2Se1O2 | 5 | 164 | 84.55 |
mp-779654 | 12.87762 | 10.532619 | 2.400454 | other | Na3Nb6O11 | 20 | 164 | 269.39 |
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