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-1157 | -7.356878 | -1.834588 | 3.065652 | other | Ta1Ni2 | 3 | 139 | 38.75 |
mp-30886 | -9.4762 | -5.919667 | 4.019803 | other | Y1Zn12 | 13 | 139 | 196.38 |
mp-977403 | -5.566852 | -7.418903 | 2.946029 | other | Na3Tl1 | 4 | 139 | 117.35 |
mp-971804 | -8.695596 | -1.460272 | 2.641617 | other | Zn1Ni3 | 4 | 139 | 44.17 |
mp-1183713 | 2.827484 | -0.506972 | -1.732089 | other | Ce1H3 | 4 | 139 | 39.85 |
mp-1018113 | -9.110842 | -6.265279 | 2.808354 | other | Y1Au2 | 3 | 139 | 62.58 |
mp-1183201 | -8.138874 | -5.767459 | 1.833476 | other | Au3Cl1 | 4 | 139 | 76.15 |
mp-1183343 | -4.695798 | -7.23884 | 3.675865 | other | Ba3Tb1 | 4 | 139 | 207.1 |
mp-1183387 | -5.26078 | -7.453909 | 3.834241 | other | Ba1Eu3 | 4 | 139 | 196.08 |
mp-1187295 | -7.020014 | -6.707343 | 7.108434 | other | Tb3Nd1 | 4 | 139 | 131.52 |
mp-999204 | -7.04846 | -3.780528 | 6.178142 | other | Sc1Al3 | 4 | 139 | 71.68 |
mp-1184014 | -6.19419 | -6.839491 | 2.360029 | other | Ga1Pb3 | 4 | 139 | 113.87 |
mp-976075 | -5.575186 | -7.099214 | 3.603328 | other | Li3Ca1 | 4 | 139 | 106.42 |
mp-1186717 | -6.953631 | -6.85966 | 7.37309 | other | Pr3Hf1 | 4 | 139 | 126.96 |
mp-1185332 | -6.354732 | -6.049967 | 3.848578 | other | Li1Ga3 | 4 | 139 | 64.45 |
mp-978546 | -5.896509 | -5.017112 | 2.23964 | other | Sc3Sb1 | 4 | 139 | 91.94 |
mp-1186642 | -6.975802 | -6.034502 | 5.753707 | other | Pm1Sc3 | 4 | 139 | 108.57 |
mp-1094159 | -5.807768 | -7.095814 | 3.431052 | other | Li3Mg1 | 4 | 139 | 79.69 |
mp-1216180 | -4.457981 | -3.877621 | -3.752926 | other | Yb29Se32 | 61 | 139 | 1,645.01 |
mp-313 | -2.23531 | 0.455137 | 2.452371 | other | Y1C2 | 3 | 139 | 41.74 |
mp-1094433 | -7.501303 | -10.87861 | 5.257849 | other | Mg3Zn1 | 4 | 139 | 79.02 |
mp-980385 | -7.080761 | -6.606245 | 6.89962 | other | Tb3Er1 | 4 | 139 | 126.59 |
mp-1188041 | -5.73508 | -3.866057 | 3.943042 | other | Zr3Mn1 | 4 | 139 | 84.1 |
mp-1103916 | -9.489447 | -5.928059 | 4.00434 | other | Tm1Zn12 | 13 | 139 | 194.72 |
mp-7188 | -7.050507 | -1.684507 | 5.519094 | other | Al2Os1 | 3 | 139 | 41.33 |
mp-976135 | -7.152303 | -6.668042 | 6.936029 | other | Pr1Er3 | 4 | 139 | 127.84 |
mp-1065309 | -6.463302 | -3.269226 | 5.450982 | other | Zr1Al3 | 4 | 139 | 69.72 |
mp-1183407 | -5.029589 | -1.709267 | 4.527318 | other | Be3Si1 | 4 | 139 | 39.83 |
mp-1094496 | -7.30434 | -6.819591 | 6.845732 | other | Y3Mg1 | 4 | 139 | 120.28 |
mp-1062989 | 9.771831 | 8.901383 | 2.454846 | other | Ce1O2 | 3 | 139 | 37.36 |
mp-1185093 | -4.055944 | -6.929377 | 1.96408 | other | K3Os1 | 4 | 139 | 142.34 |
mp-2731 | -6.794257 | -3.47139 | 4.971881 | other | Ti1Ga3 | 4 | 139 | 61.79 |
mp-16475 | -5.243058 | -6.049997 | 0.82167 | other | Sr22Sb20 | 42 | 139 | 1,459.86 |
mp-1217168 | -5.792921 | -3.074611 | 3.748435 | other | Ti4Pd1 | 5 | 139 | 84.07 |
mp-1225226 | -7.238237 | 0.351734 | 3.876273 | other | Fe4Mo1 | 5 | 139 | 62.64 |
mp-1222266 | -2.707373 | -2.847775 | -5.425196 | other | Lu3S4 | 7 | 139 | 151.94 |
mp-975509 | -4.482999 | -7.237098 | 3.122823 | other | Rb1Ba3 | 4 | 139 | 278.82 |
mp-864758 | -5.459285 | -7.272112 | 2.99227 | other | Na3In1 | 4 | 139 | 116.16 |
mp-1063239 | -8.595885 | -5.122217 | 3.416253 | other | Dy1Pd2 | 3 | 139 | 65.76 |
mp-1184710 | -7.564269 | -6.163797 | 6.151187 | other | Ho3As1 | 4 | 139 | 102.83 |
mp-974371 | -8.157356 | -2.221459 | 3.282109 | other | Rh3Br1 | 4 | 139 | 61.65 |
mp-1094064 | 3.762696 | -0.875904 | -2.517068 | other | Sb1H3 | 4 | 139 | 35.63 |
mp-1187936 | -7.665819 | -6.20231 | 3.410547 | other | Zn3Si1 | 4 | 139 | 61.04 |
mp-22482 | -7.365575 | -0.936623 | 4.472311 | other | Er1Mn12 | 13 | 139 | 174.21 |
mp-16521 | -7.017177 | -1.603381 | 5.153443 | other | Al3Os2 | 5 | 139 | 68.32 |
mp-27298 | -5.647506 | -6.118757 | 0.948857 | other | Ca22Bi20 | 42 | 139 | 1,350.61 |
mp-1416 | 9.018248 | 2.065405 | 1.247143 | original | Nb1F4 | 5 | 139 | 75.38 |
mp-1185792 | -6.827219 | -10.286953 | 4.554763 | other | Mg3Tl1 | 4 | 139 | 90.83 |
mp-981232 | -5.546608 | -2.994892 | 3.782142 | other | Ti3Nb1 | 4 | 139 | 70.26 |
mp-976419 | -5.622882 | -3.775518 | 3.361424 | other | Hf3Bi1 | 4 | 139 | 92.08 |
mp-1185275 | -6.408506 | -6.990319 | 2.538534 | other | Li1Pb3 | 4 | 139 | 111.76 |
mp-1189560 | -3.909198 | -4.698872 | 6.220108 | other | Y4Si12 | 16 | 139 | 283.92 |
mp-1007855 | -8.559529 | -0.456581 | 2.907377 | other | Fe1Ni3 | 4 | 139 | 44.21 |
mp-341 | 8.200212 | 1.584873 | -0.572603 | other | Pb1F4 | 5 | 139 | 72.5 |
mp-1183234 | -4.545659 | -3.599086 | -3.638857 | other | Ac1Se3 | 4 | 139 | 102.76 |
mp-1216464 | -0.170698 | 2.018173 | 2.469445 | other | V4N3 | 7 | 139 | 67.08 |
mp-1187032 | -5.961963 | -6.276266 | 2.240499 | other | Sn3B1 | 4 | 139 | 93.67 |
mp-1185152 | -6.687871 | -6.607187 | 6.702804 | other | La3Tb1 | 4 | 139 | 144.12 |
mp-982378 | -5.077584 | -7.337919 | 3.087526 | other | Na3Cr1 | 4 | 139 | 118.68 |
mp-981391 | -7.251936 | -7.176342 | 1.96828 | other | Hg3Ir1 | 4 | 139 | 79.3 |
mp-1185969 | -5.207179 | -4.93635 | 4.296801 | other | Mg1Np3 | 4 | 139 | 82.31 |
mp-1187475 | -5.431969 | -2.916826 | 3.999187 | other | Ti3Be1 | 4 | 139 | 59.5 |
mp-1183226 | -6.832582 | -6.978412 | 7.073923 | other | Ac1Y3 | 4 | 139 | 144.34 |
mp-1186545 | -6.634963 | -7.096497 | 6.997936 | other | Pm3Th1 | 4 | 139 | 135.84 |
mp-975868 | -5.859037 | -6.870753 | 3.733848 | other | Li3Al1 | 4 | 139 | 66.54 |
mp-980070 | -7.205718 | -6.78461 | 6.603536 | other | Yb1Er3 | 4 | 139 | 127.82 |
mp-1185337 | -7.395517 | -7.659 | 1.765827 | other | Li1Hg3 | 4 | 139 | 88.14 |
mp-1186516 | -6.825508 | -7.239381 | 7.202098 | other | Pm3Ho1 | 4 | 139 | 134.44 |
mp-1186777 | -6.853938 | -6.77517 | 6.758092 | other | Sr1Tb3 | 4 | 139 | 141.59 |
mp-1187787 | 12.470634 | 9.450433 | 0.71466 | other | V3F1 | 4 | 139 | 69.02 |
mp-30703 | -6.370572 | -3.415462 | 4.39636 | other | Hf22Ga20 | 42 | 139 | 774.09 |
mp-1022728 | 7.546273 | 10.706253 | -0.692429 | other | Cu3O2 | 5 | 139 | 60.14 |
mp-984712 | -5.722109 | -0.803471 | 2.752158 | other | Cr3Se1 | 4 | 139 | 49.71 |
mp-1186497 | -6.908431 | -7.342312 | 7.091347 | other | Pm3Cr1 | 4 | 139 | 116.63 |
mp-1187748 | -7.112935 | -1.345806 | 4.944017 | other | U1Mn3 | 4 | 139 | 54.32 |
mp-1183643 | -8.523587 | -5.872248 | 2.072331 | other | Cd1Au3 | 4 | 139 | 72.45 |
mp-864742 | -5.723247 | -7.072382 | 2.789826 | other | Na3Sn1 | 4 | 139 | 109.98 |
mp-1018148 | -9.003454 | -6.039035 | 2.889244 | other | Sc1Au2 | 3 | 139 | 55.13 |
mp-1183245 | -5.497714 | -5.417559 | 2.888334 | other | Ag1Ge3 | 4 | 139 | 78.86 |
mp-542293 | -5.25809 | -6.33985 | 1.175495 | other | Ba22Bi20 | 42 | 139 | 1,789.27 |
mp-1183646 | -7.288126 | -6.741365 | 2.354156 | other | Cd3Ga1 | 4 | 139 | 84.1 |
mp-2119 | -2.127821 | 0.423725 | 2.393027 | other | Tb1C2 | 3 | 139 | 42.19 |
mp-1995 | -2.028531 | 0.430087 | 2.316139 | other | Pr1C2 | 3 | 139 | 49.03 |
mp-974364 | -8.579839 | -5.443579 | 2.353857 | other | Ru1Au3 | 4 | 139 | 68.38 |
mp-639892 | -7.302062 | -0.712243 | 4.455843 | other | Gd1Mn12 | 13 | 139 | 159.93 |
mp-1184923 | -3.898803 | -7.100407 | 2.52536 | other | K3Hf1 | 4 | 139 | 205.72 |
mp-972471 | -7.104905 | -6.934864 | 7.405456 | other | Sm3Ho1 | 4 | 139 | 132.43 |
mp-1094255 | -5.692908 | -3.819912 | 3.570668 | other | Zr3Sn1 | 4 | 139 | 90.39 |
mp-1187545 | -6.263495 | -7.215383 | 1.924539 | other | Tl3Ag1 | 4 | 139 | 111.56 |
mp-1187030 | -6.50165 | -6.128117 | 1.98245 | other | Sn3Ge1 | 4 | 139 | 103.41 |
mp-1186217 | -5.07265 | -3.923011 | 0.908212 | other | Nb1As3 | 4 | 139 | 72.33 |
mp-1183875 | -7.063291 | -6.978033 | 7.389611 | other | Ce1Pr3 | 4 | 139 | 150.58 |
mp-1210627 | -7.285302 | -0.943774 | 3.885318 | other | Mn3Ga1 | 4 | 139 | 48.94 |
mp-1011375 | -4.092051 | -3.945628 | -3.156213 | other | Ce1Se2 | 3 | 139 | 69.49 |
mp-1103808 | 2.961773 | -0.392768 | -1.869791 | other | La4H9 | 13 | 139 | 179.03 |
mp-972202 | -5.746149 | -3.245496 | 0.704608 | other | Tc1As3 | 4 | 139 | 66.38 |
mp-1206675 | -2.569269 | 0.265352 | 2.533195 | other | Pu1C2 | 3 | 139 | 41.1 |
mp-973339 | -7.192402 | -6.61759 | 6.866342 | other | Lu3Th1 | 4 | 139 | 121.14 |
mp-978548 | -7.130833 | -6.656947 | 6.895681 | other | Sm1Er3 | 4 | 139 | 125.21 |
mp-1185139 | -3.838617 | -7.121757 | 2.389324 | other | K3V1 | 4 | 139 | 195 |
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