material_id stringlengths 4 11 | formula_pretty stringlengths 1 24 | density float64 0.04 24.3 | density_atomic float64 5.96 742 | total_magnetization float64 0 256 | num_magnetic_sites int64 0 134 | chemsys stringlengths 1 21 | ordering stringclasses 5
values | nelements int64 1 8 | nsites int64 1 444 | formation_energy_per_atom float64 -5.15 0.1 | band_gap float64 0 17.9 | symmetry stringclasses 7
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-10018 | Ac | 8.157868 | 46.205987 | 0.000059 | 0 | Ac | Unknown | 1 | 1 | 0.021639 | 0 | cubic |
mp-862690 | Ac | 8.170182 | 46.13635 | 0.000107 | 0 | Ac | Unknown | 1 | 4 | 0 | 0 | hexagonal |
mp-1183057 | Ac | 8.313274 | 45.342229 | 0.022801 | 0 | Ac | NM | 1 | 3 | 0.015586 | 0 | trigonal |
mp-1183069 | Ac | 8.14476 | 46.280352 | 0.000972 | 0 | Ac | Unknown | 1 | 3 | 0.011822 | 0 | trigonal |
mp-861724 | Ac2AgIr | 11.367264 | 27.539342 | 0.000014 | 0 | Ac-Ag-Ir | Unknown | 3 | 4 | -0.413285 | 0 | cubic |
mp-1183076 | Ac2AgPb | 9.490476 | 33.640774 | 0.910605 | 0 | Ac-Ag-Pb | Unknown | 3 | 4 | -0.480278 | 0 | cubic |
mp-1183068 | Ac2CdGa | 8.24321 | 32.036228 | 0.000047 | 0 | Ac-Cd-Ga | Unknown | 3 | 4 | -0.402831 | 0 | cubic |
mp-1183063 | Ac2CdGe | 8.449542 | 31.397239 | 0.000004 | 0 | Ac-Cd-Ge | Unknown | 3 | 4 | -0.464809 | 0 | cubic |
mp-1183086 | Ac2CdHg | 9.570977 | 33.26816 | 0.628202 | 0 | Ac-Cd-Hg | Unknown | 3 | 4 | -0.433682 | 0 | cubic |
mp-862319 | Ac2CdSn | 8.370293 | 33.979403 | 0.000019 | 0 | Ac-Cd-Sn | Unknown | 3 | 4 | -0.542654 | 0 | cubic |
mp-862786 | Ac2CuGe | 8.598305 | 28.49477 | 0.001071 | 0 | Ac-Cu-Ge | Unknown | 3 | 4 | -0.386251 | 0 | cubic |
mp-861883 | Ac2CuIr | 11.32219 | 26.023879 | 0.000169 | 0 | Ac-Cu-Ir | Unknown | 3 | 4 | -0.342299 | 0 | cubic |
mp-1183120 | Ac2CuRu | 9.971868 | 25.75335 | 0.00012 | 0 | Ac-Cu-Ru | Unknown | 3 | 4 | -0.016838 | 0 | cubic |
mp-862683 | Ac2GaCu | 8.414439 | 28.973504 | 0.00001 | 0 | Ac-Cu-Ga | Unknown | 3 | 4 | -0.287378 | 0 | cubic |
mp-867241 | Ac2GePd | 9.154251 | 28.708545 | 0.000001 | 0 | Ac-Ge-Pd | Unknown | 3 | 4 | -0.665207 | 0 | cubic |
mp-861872 | Ac2HgGe | 9.670947 | 31.217053 | 0.000001 | 0 | Ac-Ge-Hg | Unknown | 3 | 4 | -0.58325 | 0 | cubic |
mp-1183377 | Ac2InGa | 8.116507 | 32.659438 | 0.000002 | 0 | Ac-Ga-In | Unknown | 3 | 4 | -0.506067 | 0 | cubic |
mp-865951 | Ac2IrAu | 12.81076 | 27.323502 | 0.000001 | 0 | Ac-Au-Ir | Unknown | 3 | 4 | -0.695377 | 0 | cubic |
mp-866107 | Ac2IrPd | 11.927066 | 26.196366 | 0.000005 | 0 | Ac-Ir-Pd | Unknown | 3 | 4 | -0.666397 | 0 | cubic |
mp-1183093 | Ac2IrRh | 12.266179 | 25.353192 | 0.000819 | 0 | Ac-Ir-Rh | Unknown | 3 | 4 | -0.534734 | 0 | cubic |
mp-985286 | Ac2Mg | 6.791641 | 38.981453 | 0.551729 | 0 | Ac-Mg | Unknown | 2 | 3 | -0.006999 | 0 | tetragonal |
mp-1183085 | Ac2Mg | 6.748691 | 39.22954 | 0.000731 | 0 | Ac-Mg | Unknown | 2 | 6 | -0.006879 | 0 | orthorhombic |
mp-1183089 | Ac2Mg | 6.781411 | 39.040257 | 1.244451 | 0 | Ac-Mg | Unknown | 2 | 6 | -0.019751 | 0 | monoclinic |
mp-1183074 | Ac2MgGa | 7.055287 | 32.246098 | 0.000181 | 0 | Ac-Ga-Mg | Unknown | 3 | 4 | -0.22884 | 0 | cubic |
mp-1183078 | Ac2MgPb | 8.045456 | 35.371141 | 0.000012 | 0 | Ac-Mg-Pb | Unknown | 3 | 4 | -0.267461 | 0 | cubic |
mp-866103 | Ac2MgSn | 7.178167 | 34.527154 | 0.000027 | 0 | Ac-Mg-Sn | Unknown | 3 | 4 | -0.344918 | 0 | cubic |
mp-1183079 | Ac2MgTl | 8.085059 | 35.053256 | 0.000868 | 0 | Ac-Mg-Tl | Unknown | 3 | 4 | -0.199245 | 0 | cubic |
mp-862849 | Ac2NiIr | 11.666643 | 25.082864 | 0.000001 | 0 | Ac-Ir-Ni | Unknown | 3 | 4 | -0.324699 | 0 | cubic |
mp-11107 | Ac2O3 | 9.10913 | 18.302245 | 0 | 0 | Ac-O | Unknown | 2 | 5 | -3.737668 | 3.5219 | trigonal |
mp-32800 | Ac2S3 | 6.535149 | 27.960196 | 0 | 0 | Ac-S | NM | 2 | 40 | -2.493064 | 2.2729 | tetragonal |
mp-977351 | Ac2S3 | 5.562971 | 32.846489 | 0 | 0 | Ac-S | Unknown | 2 | 10 | -2.440364 | 3.0275 | trigonal |
mp-862698 | Ac2SiAu | 9.576408 | 29.43673 | 0.643124 | 0 | Ac-Au-Si | Unknown | 3 | 4 | -0.641502 | 0 | cubic |
mp-983586 | Ac2SiHg | 9.212666 | 30.762249 | 0.000006 | 0 | Ac-Hg-Si | Unknown | 3 | 4 | -0.461455 | 0 | cubic |
mp-864795 | Ac2SnHg | 9.533839 | 33.672031 | 0.000034 | 0 | Ac-Hg-Sn | Unknown | 3 | 4 | -0.645806 | 0 | cubic |
mp-1183072 | Ac2TlCd | 9.256491 | 34.568554 | 0.98291 | 0 | Ac-Cd-Tl | Unknown | 3 | 4 | -0.407012 | 0 | cubic |
mp-1183073 | Ac2TlIn | 9.190532 | 34.925371 | 0.000014 | 0 | Ac-In-Tl | Unknown | 3 | 4 | -0.513242 | 0 | cubic |
mp-1183070 | Ac2TlSn | 9.277242 | 34.773097 | 0.00001 | 0 | Ac-Sn-Tl | Unknown | 3 | 4 | -0.570141 | 0 | cubic |
mp-1183077 | Ac2YbMg | 7.558103 | 35.775637 | 0.000014 | 0 | Ac-Mg-Yb | NM | 3 | 4 | 0.02489 | 0 | cubic |
mp-1183066 | Ac2ZnAu | 10.020648 | 29.67796 | 0.000001 | 0 | Ac-Au-Zn | Unknown | 3 | 4 | -0.54245 | 0 | cubic |
mp-865535 | Ac2ZnGa | 8.153142 | 29.996923 | 0.00047 | 0 | Ac-Ga-Zn | Unknown | 3 | 4 | -0.378248 | 0 | cubic |
mp-866018 | Ac2ZnGe | 8.33744 | 29.479088 | 0.000041 | 0 | Ac-Ge-Zn | Unknown | 3 | 4 | -0.457048 | 0 | cubic |
mp-1183067 | Ac2ZnHg | 9.502633 | 31.454083 | 0.007784 | 0 | Ac-Hg-Zn | Unknown | 3 | 4 | -0.384466 | 0 | cubic |
mp-1183106 | Ac2ZnIn | 8.061589 | 32.659774 | 0.00202 | 0 | Ac-In-Zn | Unknown | 3 | 4 | -0.385861 | 0 | cubic |
mp-865398 | Ac2ZnIr | 10.920979 | 27.050752 | 0 | 0 | Ac-Ir-Zn | Unknown | 3 | 4 | -0.414113 | 0 | cubic |
mp-1183090 | Ac3Cd | 8.513908 | 38.686405 | 0.014646 | 0 | Ac-Cd | NM | 2 | 4 | -0.078303 | 0 | tetragonal |
mp-1183100 | Ac3Cd | 8.46594 | 38.905602 | 0.36322 | 0 | Ac-Cd | NM | 2 | 8 | -0.081378 | 0 | hexagonal |
mp-1183081 | Ac3Dy | 8.421044 | 41.582278 | 0.000029 | 0 | Ac-Dy | NM | 2 | 4 | 0.066876 | 0 | tetragonal |
mp-1183103 | Ac3Dy | 8.376128 | 41.805254 | 0.04284 | 0 | Ac-Dy | NM | 2 | 8 | 0.068457 | 0 | hexagonal |
mp-985294 | Ac3Er | 8.506503 | 41.396779 | 0.269305 | 0 | Ac-Er | NM | 2 | 8 | 0.071818 | 0 | hexagonal |
mp-1183091 | Ac3Er | 8.452893 | 41.659326 | 0.003152 | 0 | Ac-Er | NM | 2 | 4 | 0.070693 | 0 | tetragonal |
mp-1183271 | Ac3Eu | 7.426651 | 46.561001 | 18.728216 | 0 | Ac-Eu | Unknown | 2 | 8 | 0.015199 | 0 | hexagonal |
mp-985291 | Ac3Hg | 9.631635 | 37.997563 | 0.050584 | 0 | Ac-Hg | NM | 2 | 8 | -0.091357 | 0 | hexagonal |
mp-1183111 | Ac3Ho | 8.355103 | 42.031212 | 0.009975 | 0 | Ac-Ho | NM | 2 | 8 | 0.070546 | 0 | hexagonal |
mp-985305 | Ac3In | 8.547053 | 38.653291 | 1.642045 | 0 | Ac-In | Unknown | 2 | 8 | -0.250224 | 0 | hexagonal |
mp-985540 | Ac3La | 7.510376 | 45.320136 | 3.802916 | 0 | Ac-La | Unknown | 2 | 8 | 0.024142 | 0 | hexagonal |
mp-1183095 | Ac3La | 7.728659 | 44.040143 | 0.012327 | 0 | Ac-La | Unknown | 2 | 4 | 0.032081 | 0 | tetragonal |
mp-1183087 | Ac3Lu | 8.67998 | 40.938072 | 0.003789 | 0 | Ac-Lu | NM | 2 | 4 | 0.074353 | 0 | tetragonal |
mp-1183123 | Ac3Lu | 8.511763 | 41.747129 | 0.244962 | 0 | Ac-Lu | NM | 2 | 8 | 0.075314 | 0 | hexagonal |
mp-985554 | Ac3Nd | 7.815556 | 43.833946 | 0.100982 | 0 | Ac-Nd | Unknown | 2 | 8 | 0.018526 | 0 | hexagonal |
mp-1183109 | Ac3Pm | 7.918352 | 43.304633 | 0.043981 | 0 | Ac-Pm | Unknown | 2 | 8 | 0.036769 | 0 | hexagonal |
mp-985302 | Ac3Pr | 7.725182 | 44.167559 | 0.232402 | 0 | Ac-Pr | Unknown | 2 | 8 | 0.0178 | 0 | hexagonal |
mp-1183122 | Ac3Si | 8.528232 | 34.516654 | 0.004223 | 0 | Ac-Si | NM | 2 | 8 | -0.274678 | 0 | hexagonal |
mp-985547 | Ac3Sm | 8.011382 | 43.079513 | 0.000185 | 0 | Ac-Sm | Unknown | 2 | 8 | 0.039173 | 0 | hexagonal |
mp-1183099 | Ac3Tb | 8.286315 | 42.079285 | 0.029036 | 0 | Ac-Tb | NM | 2 | 8 | 0.065176 | 0 | hexagonal |
mp-985506 | Ac3Tl | 9.509016 | 38.653149 | 0.003199 | 0 | Ac-Tl | Unknown | 2 | 8 | -0.163814 | 0 | hexagonal |
mp-1183084 | Ac3Tm | 8.621866 | 40.923537 | 0.002868 | 0 | Ac-Tm | NM | 2 | 4 | 0.072308 | 0 | tetragonal |
mp-1183098 | Ac3Tm | 8.487669 | 41.570572 | 0.231052 | 0 | Ac-Tm | NM | 2 | 8 | 0.073467 | 0 | hexagonal |
mp-1183083 | Ac3Y | 7.532052 | 42.433944 | 0.001191 | 0 | Ac-Y | Unknown | 2 | 4 | 0.058626 | 0 | tetragonal |
mp-1183102 | Ac3Y | 7.470095 | 42.785891 | 0.00228 | 0 | Ac-Y | Unknown | 2 | 8 | 0.047491 | 0 | hexagonal |
mp-972002 | Ac3Yb | 8.46288 | 41.893742 | 0.428374 | 2 | Ac-Yb | FM | 2 | 8 | 0.050885 | 0 | hexagonal |
mp-1183059 | Ac3Yb | 8.591634 | 41.265921 | 0.00106 | 0 | Ac-Yb | NM | 2 | 4 | 0.052334 | 0 | cubic |
mp-1183088 | Ac3Yb | 8.597258 | 41.238929 | 0.000007 | 0 | Ac-Yb | NM | 2 | 4 | 0.067073 | 0 | tetragonal |
mp-866199 | AcAg | 9.037338 | 30.764687 | 0.000001 | 0 | Ac-Ag | Unknown | 2 | 2 | -0.271157 | 0 | cubic |
mp-1183065 | AcAg2Pb | 10.336095 | 26.103784 | 0.000002 | 0 | Ac-Ag-Pb | Unknown | 3 | 4 | -0.311332 | 0 | cubic |
mp-862890 | AcAg2Sn | 9.245002 | 25.211019 | 0.000001 | 0 | Ac-Ag-Sn | Unknown | 3 | 4 | -0.356572 | 0 | cubic |
mp-865950 | AcAg3 | 9.089635 | 25.146786 | 0 | 0 | Ac-Ag | Unknown | 2 | 8 | -0.200376 | 0 | hexagonal |
mp-862972 | AcAgAu2 | 12.407549 | 24.38441 | 0.000004 | 0 | Ac-Ag-Au | Unknown | 3 | 4 | -0.602282 | 0 | cubic |
mp-862873 | AcAgHg2 | 11.341115 | 26.942605 | 0.001373 | 0 | Ac-Ag-Hg | NM | 3 | 4 | -0.398352 | 0 | cubic |
mp-862617 | AcAl3 | 5.209836 | 24.537916 | 0 | 0 | Ac-Al | Unknown | 2 | 8 | -0.408916 | 0 | hexagonal |
mp-1183115 | AcAlO3 | 8.72823 | 11.490283 | 0 | 0 | Ac-Al-O | Unknown | 3 | 5 | -3.690019 | 4.1024 | cubic |
mp-867838 | AcAu3 | 13.95495 | 24.331051 | 0 | 0 | Ac-Au | Unknown | 2 | 8 | -0.771292 | 0 | hexagonal |
mp-866016 | AcBiAu2 | 13.065394 | 26.369351 | 0 | 0 | Ac-Au-Bi | Unknown | 3 | 4 | -0.703839 | 0 | cubic |
mp-27972 | AcBr3 | 5.679086 | 34.116118 | 0 | 0 | Ac-Br | Unknown | 2 | 8 | -2.494519 | 4.1034 | hexagonal |
mp-30274 | AcBrO | 7.65229 | 23.356568 | 0 | 0 | Ac-Br-O | Unknown | 3 | 6 | -3.218186 | 4.2407 | tetragonal |
mp-867890 | AcCd3 | 8.312531 | 28.178271 | 0 | 0 | Ac-Cd | Unknown | 2 | 8 | -0.301566 | 0 | hexagonal |
mp-867338 | AcCdAg2 | 9.14744 | 25.194043 | 0.000022 | 0 | Ac-Ag-Cd | Unknown | 3 | 4 | -0.214142 | 0 | cubic |
mp-1183071 | AcCdAu2 | 12.220222 | 24.912529 | 0.000115 | 0 | Ac-Au-Cd | Unknown | 3 | 4 | -0.665137 | 0 | cubic |
mp-864644 | AcCdHg2 | 11.292803 | 27.224868 | 0.000007 | 0 | Ac-Cd-Hg | Unknown | 3 | 4 | -0.466221 | 0 | cubic |
mp-861880 | AcCdRh2 | 11.010988 | 20.555886 | 0.000036 | 0 | Ac-Cd-Rh | Unknown | 3 | 4 | -0.354021 | 0 | cubic |
mp-1183117 | AcCeMg2 | 5.253947 | 32.848129 | 1.163836 | 1 | Ac-Ce-Mg | FM | 3 | 4 | 0.047029 | 0 | cubic |
mp-27971 | AcCl3 | 4.724439 | 29.292138 | 0 | 0 | Ac-Cl | Unknown | 2 | 8 | -2.940649 | 5.0865 | hexagonal |
mp-30273 | AcClO | 7.156871 | 21.535534 | 0 | 0 | Ac-Cl-O | Unknown | 3 | 6 | -3.381758 | 4.4457 | tetragonal |
mp-866101 | AcCrO3 | 8.848788 | 12.272569 | 3 | 0 | Ac-Cr-O | Unknown | 3 | 5 | -3.138972 | 2.0031 | cubic |
mp-1183114 | AcCu3 | 8.572205 | 20.225373 | 0 | 0 | Ac-Cu | Unknown | 2 | 8 | -0.059556 | 0 | hexagonal |
mp-864606 | AcCuO3 | 9.380471 | 11.985877 | 0.000002 | 0 | Ac-Cu-O | Unknown | 3 | 5 | -2.422892 | 0 | cubic |
mp-985301 | AcDy3 | 8.541777 | 34.72507 | 0.000424 | 0 | Ac-Dy | NM | 2 | 4 | 0.071244 | 0 | tetragonal |
mp-1183062 | AcDy3 | 8.533131 | 34.760252 | 0.564974 | 0 | Ac-Dy | Unknown | 2 | 4 | 0.076281 | 0 | cubic |
mp-985300 | AcEr3 | 8.909681 | 33.956399 | 0.219718 | 3 | Ac-Er | FM | 2 | 4 | 0.075355 | 0 | cubic |
mp-1183125 | AcEu3 | 6.352772 | 44.624961 | 45.39397 | 6 | Ac-Eu | FM | 2 | 8 | 0.025466 | 0 | hexagonal |
mp-1006278 | AcEuAu2 | 11.535299 | 27.815185 | 7.413205 | 0 | Ac-Au-Eu | Unknown | 3 | 4 | -0.779867 | 0 | cubic |
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