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-13740 | AgAsS2 | 4.454054 | 23.013863 | 0.001073 | 0 | Ag-As-S | NM | 3 | 24 | -0.157485 | 1.5037 | trigonal |
mp-542609 | AgAsS2 | 4.677418 | 21.914869 | 0.001184 | 0 | Ag-As-S | NM | 3 | 48 | -0.148448 | 1.5154 | monoclinic |
mp-985442 | AgAsSe | 5.459498 | 26.537593 | 0.000001 | 0 | Ag-As-Se | NM | 3 | 12 | -0.218943 | 0 | orthorhombic |
mp-4483 | AgAsSe2 | 6.446551 | 21.940488 | 0 | 0 | Ag-As-Se | NM | 3 | 4 | -0.301252 | 0 | trigonal |
mp-1183227 | AgAu | 14.444606 | 17.521767 | 0 | 0 | Ag-Au | Unknown | 2 | 2 | -0.04685 | 0 | hexagonal |
mp-1229092 | AgAu | 14.538965 | 17.40805 | 0.000001 | 0 | Ag-Au | Unknown | 2 | 2 | -0.062226 | 0 | trigonal |
mp-1229194 | AgAu(IO3)4 | 5.627256 | 16.46669 | 0.001286 | 0 | Ag-Au-I-O | NM | 4 | 36 | -0.713106 | 1.2573 | monoclinic |
mp-863750 | AgAu3 | 16.571986 | 17.504411 | 0 | 0 | Ag-Au | Unknown | 2 | 4 | -0.064885 | 0 | cubic |
mp-985287 | AgAu3 | 16.504009 | 17.576508 | 0 | 0 | Ag-Au | Unknown | 2 | 8 | -0.053705 | 0 | hexagonal |
mp-1183224 | AgAu3 | 16.575136 | 17.501084 | 0 | 0 | Ag-Au | Unknown | 2 | 4 | -0.063136 | 0 | tetragonal |
mp-570340 | AgAuCl4 | 4.798716 | 25.759473 | 0 | 0 | Ag-Au-Cl | Unknown | 3 | 12 | -0.774489 | 0.8406 | monoclinic |
mp-16060 | AgAuF4 | 7.222443 | 14.592948 | 0 | 0 | Ag-Au-F | Unknown | 3 | 12 | -1.401935 | 1.0268 | tetragonal |
mp-1196161 | AgAuF7 | 5.238674 | 15.419999 | 0.984677 | 0 | Ag-Au-F | NM | 3 | 36 | -1.312411 | 0 | orthorhombic |
mp-996977 | AgAuO2 | 8.947458 | 15.628051 | 0.002579 | 0 | Ag-Au-O | NM | 3 | 8 | -0.435295 | 0 | tetragonal |
mp-996980 | AgAuO2 | 9.48989 | 14.734768 | 0 | 0 | Ag-Au-O | Unknown | 3 | 8 | -0.456041 | 0 | orthorhombic |
mp-996983 | AgAuO2 | 9.667193 | 14.464523 | 0 | 0 | Ag-Au-O | Unknown | 3 | 8 | -0.469545 | 0.6175 | monoclinic |
mp-776165 | AgAuO3 | 8.569173 | 13.674434 | 0.000038 | 0 | Ag-Au-O | NM | 3 | 20 | -0.356844 | 0.2423 | cubic |
mp-703539 | AgB11H6CBr6 | 2.667328 | 18.035743 | 0.000061 | 0 | Ag-B-Br-C-H | NM | 5 | 100 | -0.447013 | 3.2973 | orthorhombic |
mp-1194753 | AgB3O5 | 4.390398 | 9.257924 | 0 | 0 | Ag-B-O | NM | 3 | 36 | -2.400959 | 2.3274 | orthorhombic |
mp-12021 | AgBF4 | 4.61217 | 11.68148 | 0 | 0 | Ag-B-F | Unknown | 3 | 24 | -2.575889 | 3.157 | orthorhombic |
mp-5160 | AgBF5 | 4.053972 | 12.50306 | 0.516401 | 0 | Ag-B-F | Unknown | 3 | 14 | -2.423811 | 0 | tetragonal |
mp-24058 | AgBH2OF4 | 3.632521 | 10.802933 | 0 | 0 | Ag-B-F-H-O | NM | 5 | 72 | -2.162864 | 3.044 | orthorhombic |
mp-559803 | AgBO2 | 5.293435 | 11.81684 | 0.83759 | 0 | Ag-B-O | NM | 3 | 128 | -1.883351 | 1.1471 | orthorhombic |
mp-780275 | AgBO3 | 5.035219 | 10.993538 | 0.001382 | 0 | Ag-B-O | NM | 3 | 10 | -1.50113 | 0 | trigonal |
mp-559834 | AgBTe4C(OF4)5 | 3.458252 | 16.521578 | 0.000577 | 0 | Ag-B-C-F-O-Te | NM | 6 | 128 | -2.160401 | 2.5132 | monoclinic |
mp-1195262 | AgBi(IO3)4 | 5.731536 | 16.360463 | 0.001071 | 0 | Ag-Bi-I-O | NM | 4 | 72 | -0.925399 | 2.4068 | monoclinic |
mp-556434 | AgBi(PS3)2 | 4.147866 | 22.866623 | 0 | 0 | Ag-Bi-P-S | NM | 4 | 20 | -0.338825 | 1.1838 | triclinic |
mp-569126 | AgBi(PSe3)2 | 4.996192 | 28.335637 | 0.002449 | 0 | Ag-Bi-P-Se | NM | 4 | 20 | -0.465881 | 1.3072 | trigonal |
mp-1192345 | AgBi(WO4)2 | 7.992778 | 14.067152 | 0.000693 | 0 | Ag-Bi-O-W | NM | 4 | 24 | -1.854503 | 2.9795 | monoclinic |
mp-28965 | AgBi2F12 | 5.660846 | 14.741385 | 1 | 0 | Ag-Bi-F | Unknown | 3 | 15 | -2.011598 | 0.4001 | triclinic |
mp-558368 | AgBi2S3Cl | 6.488452 | 24.037568 | 0.001445 | 0 | Ag-Bi-Cl-S | NM | 4 | 14 | -0.707343 | 0.7834 | monoclinic |
mp-1229202 | AgBi3PbS6 | 6.660692 | 25.710059 | 0.000246 | 0 | Ag-Bi-Pb-S | NM | 4 | 22 | -0.598811 | 0.3103 | orthorhombic |
mp-23474 | AgBi3S5 | 6.622905 | 24.937121 | 0 | 0 | Ag-Bi-S | Unknown | 3 | 18 | -0.372202 | 0.5262 | monoclinic |
mp-35909 | AgBiI4 | 5.411462 | 42.165405 | 0.001663 | 0 | Ag-Bi-I | NM | 3 | 12 | -0.625269 | 0.9912 | orthorhombic |
mp-996965 | AgBiO2 | 7.63843 | 18.959221 | 0.000001 | 0 | Ag-Bi-O | NM | 3 | 8 | -1.104953 | 0.7818 | hexagonal |
mp-996968 | AgBiO2 | 7.696995 | 18.814964 | 0.003432 | 0 | Ag-Bi-O | NM | 3 | 8 | -1.113817 | 1.6897 | monoclinic |
mp-996969 | AgBiO2 | 8.144979 | 17.780117 | 0 | 0 | Ag-Bi-O | Unknown | 3 | 8 | -1.147583 | 1.4247 | monoclinic |
mp-996970 | AgBiO2 | 7.582117 | 19.100032 | 0.000002 | 0 | Ag-Bi-O | NM | 3 | 8 | -1.123922 | 1.2491 | monoclinic |
mp-996982 | AgBiO2 | 7.639865 | 18.95566 | 0.000063 | 0 | Ag-Bi-O | NM | 3 | 4 | -1.105013 | 0.9564 | trigonal |
mp-23548 | AgBiO3 | 7.836022 | 15.463008 | 0.000378 | 0 | Ag-Bi-O | NM | 3 | 10 | -1.003011 | 0 | trigonal |
mp-775774 | AgBiO3 | 8.117625 | 14.926591 | 0.703273 | 1 | Ag-Bi-O | FM | 3 | 10 | -1.024969 | 0 | orthorhombic |
mp-1229121 | AgBiPbS3 | 7.05791 | 24.321144 | 0.004145 | 0 | Ag-Bi-Pb-S | NM | 4 | 6 | -0.551406 | 0.0683 | orthorhombic |
mp-1183166 | AgBiPd2 | 12.085305 | 18.195002 | 0.000002 | 0 | Ag-Bi-Pd | Unknown | 3 | 4 | -0.188208 | 0 | cubic |
mp-29678 | AgBiS2 | 6.99271 | 22.617479 | 0 | 0 | Ag-Bi-S | NM | 3 | 4 | -0.289824 | 0.4913 | trigonal |
mp-675977 | AgBiS2 | 6.932464 | 22.814032 | 0.000033 | 0 | Ag-Bi-S | NM | 3 | 8 | -0.261992 | 0.3166 | monoclinic |
mp-1172905 | AgBiS2 | 6.996773 | 22.604345 | 0.005986 | 0 | Ag-Bi-S | NM | 3 | 12 | -0.291916 | 0.4918 | trigonal |
mp-1173060 | AgBiS2 | 6.94096 | 22.786109 | 0.001022 | 0 | Ag-Bi-S | NM | 3 | 8 | -0.261396 | 0.23 | tetragonal |
mp-556094 | AgBiSCl2 | 5.553841 | 25.104313 | 0 | 0 | Ag-Bi-Cl-S | NM | 4 | 10 | -0.945596 | 1.0752 | orthorhombic |
mp-27916 | AgBiSe2 | 7.943635 | 24.811432 | 0 | 0 | Ag-Bi-Se | Unknown | 3 | 12 | -0.49602 | 0.1858 | trigonal |
mp-33618 | AgBiSe2 | 7.721549 | 25.525053 | 0.003509 | 0 | Ag-Bi-Se | NM | 3 | 8 | -0.446125 | 0 | tetragonal |
mp-29656 | AgBiTe2 | 7.915843 | 30.000251 | 0 | 0 | Ag-Bi-Te | NM | 3 | 4 | -0.18614 | 0 | trigonal |
mp-570549 | AgBiTe2 | 7.862873 | 30.202354 | 0.001544 | 0 | Ag-Bi-Te | NM | 3 | 12 | -0.108864 | 0 | trigonal |
mp-1182952 | AgBiTe2 | 7.942302 | 29.900305 | 0.002723 | 0 | Ag-Bi-Te | NM | 3 | 12 | -0.188121 | 0 | trigonal |
mp-23231 | AgBr | 6.444351 | 24.191969 | 0 | 0 | Ag-Br | Unknown | 2 | 2 | -0.659621 | 0.7304 | cubic |
mp-570301 | AgBr | 6.245164 | 24.963563 | 0 | 0 | Ag-Br | NM | 2 | 4 | -0.587577 | 0.699 | monoclinic |
mp-866291 | AgBr | 5.133693 | 30.368301 | 0 | 0 | Ag-Br | Unknown | 2 | 2 | -0.629116 | 1.1708 | cubic |
mp-2034510 | AgBr | 6.444862 | 24.190051 | 0 | 0 | Ag-Br | Unknown | 2 | 4 | -0.65935 | 1.2442 | orthorhombic |
mp-1178562 | AgBrO3 | 5.06705 | 15.453014 | 0 | 0 | Ag-Br-O | Unknown | 3 | 5 | -0.285036 | 2.383 | trigonal |
mp-755991 | AgBrO4 | 4.509255 | 15.452427 | 0.003945 | 0 | Ag-Br-O | NM | 3 | 24 | -0.159861 | 1.0812 | orthorhombic |
mp-756139 | AgBrO4 | 4.455438 | 15.639076 | 0.004344 | 0 | Ag-Br-O | NM | 3 | 24 | -0.197513 | 0.669772 | monoclinic |
mp-756342 | AgBrO4 | 4.755707 | 14.651645 | 0.000573 | 0 | Ag-Br-O | NM | 3 | 12 | -0.181973 | 0.8911 | tetragonal |
mp-753176 | AgCO3 | 4.91886 | 11.334598 | 0.000048 | 0 | Ag-C-O | Unknown | 3 | 10 | -1.233628 | 0 | trigonal |
mp-22922 | AgCl | 5.582623 | 21.315291 | 0 | 0 | Ag-Cl | Unknown | 2 | 2 | -0.728692 | 0.9522 | cubic |
mp-570687 | AgCl | 5.433843 | 21.898908 | 0 | 0 | Ag-Cl | NM | 2 | 4 | -0.717422 | 0.872 | monoclinic |
mp-570858 | AgCl | 5.833978 | 20.396926 | 0 | 0 | Ag-Cl | Unknown | 2 | 4 | -0.700147 | 0.4439 | orthorhombic |
mp-1536202 | AgCl | 5.586005 | 21.302386 | 0 | 0 | Ag-Cl | Unknown | 2 | 4 | -0.728322 | 1.423 | orthorhombic |
mp-27941 | AgClO3 | 4.138469 | 15.353181 | 0.000063 | 0 | Ag-Cl-O | NM | 3 | 20 | -0.407246 | 2.3983 | tetragonal |
mp-775761 | AgClO3 | 4.366023 | 14.552986 | 0 | 0 | Ag-Cl-O | Unknown | 3 | 20 | -0.413946 | 2.925 | cubic |
mp-776199 | AgClO3 | 4.111924 | 15.452297 | 0.001019 | 0 | Ag-Cl-O | NM | 3 | 20 | -0.396926 | 3.1131 | monoclinic |
mp-1178561 | AgClO3 | 4.13426 | 15.368812 | 0.001029 | 0 | Ag-Cl-O | NM | 3 | 5 | -0.352713 | 2.7117 | trigonal |
mp-22993 | AgClO4 | 4.229779 | 13.56497 | 0 | 0 | Ag-Cl-O | Unknown | 3 | 6 | -0.414068 | 2.613 | tetragonal |
mp-1101933 | AgClO4 | 4.034353 | 14.222063 | 0.003148 | 0 | Ag-Cl-O | NM | 3 | 12 | -0.370363 | 2.8481 | monoclinic |
mp-1191267 | AgClO4 | 4.1172 | 13.935887 | 0.00006 | 0 | Ag-Cl-O | NM | 3 | 24 | -0.388567 | 2.6793 | orthorhombic |
mp-2903321 | AgClO4 | 4.167704 | 13.767011 | 0 | 0 | Ag-Cl-O | NM | 3 | 12 | -0.406381 | 3.2945 | monoclinic |
mp-7592 | AgF | 7.067923 | 14.903031 | 0.000001 | 0 | Ag-F | Unknown | 2 | 2 | -1.227301 | 0 | cubic |
mp-2284 | AgF2 | 5.836099 | 13.834271 | 0 | 0 | Ag-F | Unknown | 2 | 12 | -1.469018 | 0 | orthorhombic |
mp-7715 | AgF2 | 5.48761 | 14.712813 | 0 | 0 | Ag-F | Unknown | 2 | 6 | -1.43455 | 0 | monoclinic |
mp-18536 | AgF3 | 4.912267 | 13.932577 | 0 | 0 | Ag-F | Unknown | 2 | 24 | -1.311774 | 0.4498 | hexagonal |
mp-1229030 | AgGeBiTe3 | 7.308732 | 29.243912 | 0.00266 | 0 | Ag-Bi-Ge-Te | NM | 4 | 6 | -0.102815 | 0 | orthorhombic |
mp-698405 | AgH12C4S5N | 1.824222 | 13.548733 | 0.000392 | 0 | Ag-C-H-N-S | NM | 5 | 46 | -0.234532 | 1.8217 | monoclinic |
mp-1203884 | AgH12N4F | 1.921799 | 9.360048 | 0.173825 | 0 | Ag-F-H-N | NM | 4 | 72 | -0.488961 | 3.4709 | orthorhombic |
mp-1200682 | AgH18C4S4BrN8O | 1.751406 | 13.075589 | 0.066109 | 0 | Ag-Br-C-H-N-O-S | NM | 7 | 148 | -0.381457 | 3.103 | monoclinic |
mp-1199390 | AgH20S6N5O9 | 1.985111 | 10.90394 | 0 | 0 | Ag-H-N-O-S | NM | 5 | 164 | -0.847205 | 3.2499 | monoclinic |
mp-1192660 | AgH2CS2N | 3.245482 | 14.620769 | 0.000753 | 0 | Ag-C-H-N-S | NM | 5 | 28 | -0.263111 | 1.9585 | tetragonal |
mp-24053 | AgH2ClO5 | 3.31973 | 12.523643 | 0.002038 | 0 | Ag-Cl-H-O | NM | 4 | 72 | -0.700697 | 2.8242 | orthorhombic |
mp-849798 | AgH36S8Br2(N3O4)3 | 1.9919 | 10.770396 | 0.000239 | 0 | Ag-Br-H-N-O-S | NM | 6 | 136 | -0.774514 | 3.1716 | tetragonal |
mp-1196199 | AgH36S8I2(N3O4)3 | 2.140213 | 11.096575 | 0.00003 | 0 | Ag-H-I-N-O-S | NM | 6 | 136 | -0.766151 | 3.1576 | tetragonal |
mp-1102571 | AgH3BrN | 3.695961 | 15.335793 | 0.000016 | 0 | Ag-Br-H-N | NM | 4 | 12 | -0.438859 | 2.4418 | monoclinic |
mp-769355 | AgH3O2 | 4.005089 | 9.87393 | 0.000434 | 0 | Ag-H-O | NM | 3 | 48 | -0.94355 | 1.0711 | orthorhombic |
mp-1215034 | AgH4C2S2N3 | 2.350656 | 14.250246 | 0.001103 | 0 | Ag-C-H-N-S | NM | 5 | 48 | -0.263347 | 2.8954 | monoclinic |
mp-1201812 | AgH4CSN2Cl | 2.66521 | 13.672173 | 0.001472 | 0 | Ag-C-Cl-H-N-S | NM | 6 | 80 | -0.411637 | 2.6044 | orthorhombic |
mp-643431 | AgH4WS4N | 3.69726 | 17.883691 | 0.00029 | 0 | Ag-H-N-S-W | NM | 5 | 11 | -0.43148 | 1.7184 | tetragonal |
mp-24072 | AgH5S2O9 | 2.740715 | 11.441561 | 0.001079 | 0 | Ag-H-O-S | NM | 4 | 68 | -1.448615 | 3.5225 | monoclinic |
mp-1194934 | AgH6CSN3 | 2.032575 | 13.616843 | 0.41537 | 0 | Ag-C-H-N-S | NM | 5 | 48 | -0.297946 | 2.8858 | monoclinic |
mp-1202066 | AgH8C2S2BrN4 | 2.195367 | 14.287826 | 0.02328 | 0 | Ag-Br-C-H-N-S | NM | 6 | 144 | -0.399389 | 2.9647 | monoclinic |
mp-1202929 | AgH8C2S2N4Cl | 2.013171 | 13.543967 | 0.016496 | 0 | Ag-C-Cl-H-N-S | NM | 6 | 144 | -0.372073 | 0 | monoclinic |
mp-769295 | AgH8O5 | 2.456676 | 9.459566 | 4.335829 | 12 | Ag-H-O | FM | 3 | 56 | -1.081011 | 0.3087 | orthorhombic |
mp-769296 | AgH9O5 | 2.276729 | 9.575758 | 0.00063 | 0 | Ag-H-O | NM | 3 | 60 | -1.104906 | 2.0934 | orthorhombic |
mp-996958 | AgHO2 | 4.216911 | 13.868466 | 1.270579 | 2 | Ag-H-O | FM | 3 | 8 | -0.728314 | 0 | monoclinic |
mp-2016808 | AgHO2 | 4.86836 | 12.012688 | 1.473633 | 2 | Ag-H-O | FM | 3 | 8 | -0.4001 | 0 | monoclinic |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.