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-1078455 | 12.275635 | 3.785376 | -7.573022 | other | Nd2S1O6 | 9 | 121 | 126.26 |
mp-1078387 | -5.036098 | -1.13414 | -5.607157 | other | Fe1Cu3S4 | 8 | 121 | 140.97 |
mp-1407385 | -5.174167 | -2.878744 | -4.05544 | other | Cu2Ge1Se4 | 7 | 121 | 163.42 |
mp-1223570 | -5.859785 | -3.74311 | -1.960637 | other | K8Sr1Te6 | 15 | 121 | 576.98 |
mp-1205655 | -7.823473 | -3.612564 | 3.100095 | other | Nd1Sn6Ru4 | 11 | 121 | 234.39 |
mp-1213741 | 6.714976 | 6.226588 | -3.843973 | other | Cr1N3O8 | 12 | 121 | 177.96 |
mp-685956 | -4.969749 | -4.758875 | -0.177429 | other | In4As3Se1 | 8 | 121 | 250.7 |
mp-1025377 | -1.218623 | 2.885776 | -3.033701 | other | Cd1Ag2I4 | 7 | 121 | 267.54 |
mp-29091 | -4.739463 | -1.266184 | -5.799548 | other | Ti1Cu4S4 | 9 | 121 | 154.28 |
mp-1195947 | -4.820195 | -6.722528 | 1.591155 | other | K23Sn9Au12 | 44 | 121 | 1,558.96 |
mp-1227338 | 12.499141 | 6.050311 | -1.682221 | other | Be3Zn1O4 | 8 | 121 | 65.43 |
mp-549869 | 8.537831 | 4.079904 | -6.760891 | other | K4C1O4 | 9 | 121 | 152.91 |
mp-1224054 | -3.815464 | -3.81666 | 0.811394 | other | Ho4Cu5P7 | 16 | 121 | 265.86 |
mp-557373 | -4.636695 | -0.568661 | -5.196576 | other | Cu2W1S4 | 7 | 121 | 154.66 |
mp-19140 | 6.81946 | 10.202618 | -1.389693 | other | K12Mn4O16 | 32 | 121 | 584.28 |
mp-546007 | 10.747777 | 10.503527 | -0.332744 | other | La2Mo1O6 | 9 | 121 | 151.98 |
mp-1223074 | -5.925656 | -4.87101 | 0.908636 | other | La4Cu3Sb8 | 15 | 121 | 397.11 |
mp-1227456 | -5.511242 | -6.445424 | 3.656735 | other | Ca10Ge6F1 | 17 | 121 | 440.62 |
mp-1219304 | -5.968424 | -1.043509 | 3.470426 | other | Si6Ni1Mo9 | 16 | 121 | 227.29 |
mp-1212158 | 11.205001 | 9.969116 | 2.958871 | other | Hf3Ge1O8 | 12 | 121 | 128.08 |
mp-34169 | -4.792249 | -2.883986 | -3.975909 | other | Zn1In2Se4 | 7 | 121 | 192.9 |
mp-551848 | 8.834733 | 3.253278 | -7.637683 | other | Li4C1O4 | 9 | 121 | 71.26 |
mp-1389664 | -5.157343 | -2.898633 | -4.139637 | other | Cu2Sn1Se4 | 7 | 121 | 169.31 |
mp-1191224 | -8.120736 | -9.80255 | 6.055977 | other | Ce2Mg17Ru4 | 23 | 121 | 490.11 |
mp-1207836 | 6.760231 | 6.151487 | -3.895008 | other | V1N3O8 | 12 | 121 | 177.72 |
mp-760415 | -3.660628 | -1.279058 | -5.582765 | other | Li3Sb1S4 | 8 | 121 | 173.29 |
mp-38103 | 6.641173 | 5.897889 | -3.472578 | other | Na1Cl1O4 | 6 | 121 | 76.49 |
mp-20208 | -7.834272 | -3.647743 | 3.064508 | other | Sm1Sn6Ru4 | 11 | 121 | 233.07 |
mp-1208577 | 6.859965 | 6.339662 | -3.94842 | other | Ta1N3O8 | 12 | 121 | 202.11 |
mp-1147769 | -4.433496 | -1.29765 | -5.553765 | other | Cu2Ge1S4 | 7 | 121 | 140.44 |
mp-760851 | 8.471173 | 14.892529 | -1.170497 | other | Na7Mn16O32 | 55 | 121 | 602.82 |
mp-1215725 | -6.121624 | -1.219114 | 3.790536 | other | Zr1V9Ge6 | 16 | 121 | 231.58 |
mp-1202122 | 5.829378 | 5.169374 | -4.208187 | other | Pd3N16O16 | 35 | 121 | 647.25 |
mp-1223479 | -0.478149 | 2.185063 | -3.434288 | other | Li24I10N5 | 39 | 121 | 838.62 |
mp-1025340 | -5.194153 | -2.236619 | -3.761534 | original | Cu2W1Se4 | 7 | 121 | 173.33 |
mp-19412 | 10.733959 | 11.709889 | -3.205614 | other | V1Ag3O4 | 8 | 121 | 120.45 |
mp-604254 | -6.744121 | -3.340532 | 6.427115 | other | U4Al40Fe2 | 46 | 121 | 803.84 |
mp-551740 | 8.980964 | 3.482807 | -7.819143 | other | Li4C1O4 | 9 | 121 | 92.16 |
mp-19052 | 10.9063 | 11.55189 | -2.907831 | other | K3V1O4 | 8 | 121 | 156.69 |
mp-546551 | 9.207563 | 3.789299 | -7.462415 | other | Na4C1O4 | 9 | 121 | 104.14 |
mp-545760 | 8.400001 | 4.28257 | -6.563794 | other | Rb4C1O4 | 9 | 121 | 185.27 |
mp-1225610 | -3.899871 | -3.788438 | 0.820339 | other | Er4Cu5P7 | 16 | 121 | 264.22 |
mp-1147776 | -4.858869 | -2.694383 | -3.672574 | other | K3V1Se4 | 8 | 121 | 318.64 |
mp-1209300 | 7.104628 | 6.014524 | -3.626023 | other | Rb3Cr1O8 | 12 | 121 | 201.81 |
mp-861182 | -3.619016 | -1.133852 | -5.659794 | other | Li4Ti1S4 | 9 | 121 | 183.62 |
mp-639910 | -7.855072 | -3.637786 | 3.08836 | other | Y1Sn6Ru4 | 11 | 121 | 231.85 |
mp-2646995 | -2.448148 | -0.624758 | -5.690604 | other | Li3P1S4 | 8 | 121 | 159.51 |
mp-35539 | -4.858491 | -2.804802 | -3.962079 | other | Zn2Ge1Se4 | 7 | 121 | 171.64 |
mp-1219156 | -3.727658 | -3.907044 | 0.748809 | other | Sm4Cu5P7 | 16 | 121 | 282.61 |
mp-549687 | 8.413817 | 4.091745 | -6.612978 | other | K4C1O4 | 9 | 121 | 192.07 |
mp-35777 | -6.078987 | -3.400108 | -2.186527 | other | Mg1In2Te4 | 7 | 121 | 252.4 |
mp-775539 | 6.789693 | 10.367929 | -1.492819 | other | K11Mn4O16 | 31 | 121 | 536.31 |
mp-510657 | 11.766879 | 12.120069 | -1.770864 | other | V1Cu3O4 | 8 | 121 | 95.25 |
mp-1211283 | 6.369782 | 0.506573 | -3.391462 | other | Li2B8H8 | 18 | 121 | 169.69 |
mp-1223602 | -5.85096 | -3.729203 | -1.947357 | other | K8Ca1Te6 | 15 | 121 | 580.91 |
mp-752917 | 10.774273 | 11.981442 | -2.979315 | other | Na3V1O4 | 8 | 121 | 117.13 |
mp-760172 | 12.093916 | 11.843918 | 2.078459 | other | Na7Ti16O32 | 55 | 121 | 653.93 |
mp-675577 | -6.110156 | -3.346056 | -2.087886 | other | Mn1In2Te4 | 7 | 121 | 247.82 |
mp-1147680 | 10.465437 | 7.565729 | -2.664475 | other | Cu2Si1O4 | 7 | 121 | 82.37 |
mp-9814 | -5.235124 | -2.650569 | -4.167024 | other | Cu3Sb1Se4 | 8 | 121 | 180.6 |
mp-5702 | -4.74789 | -1.218628 | -5.747451 | other | Cu3Sb1S4 | 8 | 121 | 154.56 |
mp-1227429 | -4.019823 | -5.475048 | 5.068382 | other | Ca10Si6F1 | 17 | 121 | 428.84 |
mp-561942 | 7.505427 | 5.812821 | -3.439521 | other | Cs3Ta1O8 | 12 | 121 | 229.12 |
mp-1224964 | -3.65609 | -3.96044 | 0.775856 | other | Gd4Cu5P7 | 16 | 121 | 273.83 |
mp-863389 | 10.765169 | 11.514893 | 2.654117 | other | Nb16Tl16O53 | 85 | 121 | 1,253.05 |
mp-1206665 | -7.855069 | -3.698045 | 3.105556 | other | La1Sn6Ru4 | 11 | 121 | 236.18 |
mp-3269 | 8.534614 | 1.21881 | 1.673601 | other | Na2Th4F18 | 24 | 121 | 331.21 |
mp-20752 | -7.815013 | -3.709229 | 3.151362 | other | Ce1Sn6Ru4 | 11 | 121 | 233.43 |
mp-753195 | -4.333154 | -0.425859 | -5.106082 | other | Li2W1S4 | 7 | 121 | 193.86 |
mp-1025315 | -6.052741 | -3.338001 | -2.130926 | other | Mn1Al2Te4 | 7 | 121 | 223.73 |
mp-675748 | -4.184083 | -1.43823 | -5.972807 | other | Zn2Ge1S4 | 7 | 121 | 152.73 |
mp-1087531 | 7.283068 | 7.872257 | -3.539293 | other | Cs1B1O6 | 8 | 121 | 124.13 |
mp-1219289 | -7.495444 | -1.158223 | 2.601683 | other | Si4Ni9B2 | 15 | 121 | 156.16 |
mp-1206351 | -7.827991 | -3.619274 | 3.087189 | other | Pr1Sn6Ru4 | 11 | 121 | 235 |
mp-568661 | -4.814885 | -2.85537 | -3.989662 | other | Cd1In2Se4 | 7 | 121 | 204.39 |
mp-547898 | 8.470316 | 4.32588 | -6.711375 | other | Rb4C1O4 | 9 | 121 | 223.73 |
mp-1211704 | 7.270887 | 5.980343 | -3.630269 | other | K3V1O8 | 12 | 121 | 180.76 |
mp-27888 | 11.09707 | 9.909452 | 3.078902 | other | Zr3Ge1O8 | 12 | 121 | 131.98 |
mp-1207460 | -4.994742 | -2.770819 | -4.038696 | other | Zn2Ga1Se4 | 7 | 121 | 172.46 |
mp-530141 | 12.156691 | 12.195358 | 1.854393 | other | Li7Ti16O32 | 55 | 121 | 606.3 |
mp-1222237 | 8.73283 | 3.801069 | -7.503673 | other | Mg6C4O14 | 24 | 121 | 324.39 |
mp-4586 | -6.072711 | -3.421405 | -2.199698 | other | Li2Al2Te4 | 8 | 122 | 240.85 |
mp-10063 | -5.605524 | -5.79782 | 0.609323 | other | Cd2Sn2Sb4 | 8 | 122 | 280.11 |
mp-7801 | 2.425108 | 2.127196 | 1.602879 | other | Ca2Ge2N4 | 8 | 122 | 105.63 |
mp-1232173 | -4.181043 | -4.174085 | -3.820981 | other | Ho4Mg2Se8 | 14 | 122 | 326.28 |
mp-1213223 | 12.737647 | 8.463587 | -1.513112 | other | Fe10Ge6O24 | 40 | 122 | 464.08 |
mp-34116 | -2.662714 | -2.746972 | -5.771634 | other | Tm4Mg2S8 | 14 | 122 | 277.38 |
mp-1246352 | 1.145913 | 2.517343 | 1.980747 | other | Ga2Fe2N4 | 8 | 122 | 86.5 |
mp-35876 | -2.656239 | -2.777987 | -5.512713 | other | Ca2Nd4S8 | 14 | 122 | 315.76 |
mp-38901 | -2.723626 | -2.949353 | -4.991702 | other | Nd4Sm2S8 | 14 | 122 | 312.1 |
mp-37312 | -3.9275 | -4.158478 | -3.620908 | other | Na2La16Se24 | 42 | 122 | 1,131.26 |
mp-1207203 | -3.344454 | -3.743955 | 0.611592 | other | Mn2Si2P4 | 8 | 122 | 160.8 |
mp-1247145 | 0.746762 | 2.440711 | 1.756879 | other | Li2Os2N4 | 8 | 122 | 100.64 |
mp-36305 | -5.450339 | -3.826239 | -0.851936 | other | Pr4U2Te8 | 14 | 122 | 429.97 |
mp-676497 | -5.31758 | -3.858007 | -0.612173 | other | Ce4U2Te8 | 14 | 122 | 425.93 |
mp-33569 | -3.949513 | -4.183958 | -3.735003 | other | Sr2La4Se8 | 14 | 122 | 385.1 |
mp-1193332 | 9.353031 | 10.263244 | 0.021609 | other | Rb10Fe6O12 | 28 | 122 | 550.45 |
mp-675458 | -5.813897 | -3.831338 | -1.536895 | other | La4Te8Pb2 | 14 | 122 | 464.58 |
mp-1245555 | 0.963817 | 2.330786 | 1.470283 | other | Li2Ir2N4 | 8 | 122 | 99.7 |
mp-1232185 | -4.086283 | -4.213821 | -3.853809 | other | Pr4Mg2Se8 | 14 | 122 | 355.35 |
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