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{
"id": "mp-1260118",
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"structure_string": "Sr3 Nd10 Al12 Si18 N36 O18\n1.0\n11.034080 0.026666 -3.884808\n-5.493544 9.541127 -3.883766\n0.007158 0.013632 11.674568\nSr Nd Al Si N O\n3 10 12 18 36 18\ndirect\n0.679881 0.423899 0.997748 Sr\n0.679881 0.997748 0.423899 Sr\n0.919064 0.975942 0.975942 Sr\n0.253475 0.575625 0.575625 Nd\n0.329924 0.750848 0.325005 Nd\n0.329924 0.325005 0.750848 Nd\n0.420538 0.002293 0.672039 Nd\n0.420538 0.672039 0.002293 Nd\n0.579566 0.572671 0.249824 Nd\n0.579566 0.249824 0.572671 Nd\n0.749173 0.329648 0.329648 Nd\n0.001085 0.675640 0.424908 Nd\n0.001085 0.424908 0.675640 Nd\n0.162573 0.999558 0.754404 Al\n0.000930 0.755340 0.162632 Al\n0.000930 0.162632 0.755340 Al\n0.162573 0.754404 0.999558 Al\n0.586413 0.836458 0.836458 Al\n0.250097 0.249162 0.412882 Al\n0.250097 0.412882 0.249162 Al\n0.411462 0.248150 0.248150 Al\n0.837754 0.590867 0.837846 Al\n0.837754 0.837846 0.590867 Al\n0.754894 0.000929 0.163470 Al\n0.754894 0.163470 0.000929 Al\n0.000534 0.698199 0.698199 Si\n0.299790 0.838185 0.838185 Si\n0.001556 0.160894 0.462309 Si\n0.302448 0.000000 0.300633 Si\n0.160959 0.998618 0.461181 Si\n0.160959 0.461181 0.998618 Si\n0.539152 0.700807 0.540075 Si\n0.539152 0.540075 0.700807 Si\n0.302448 0.300633 0.000000 Si\n0.700415 0.539316 0.539316 Si\n0.462660 0.999192 0.160090 Si\n0.462660 0.160090 0.999192 Si\n0.840484 0.842223 0.301853 Si\n0.840484 0.301853 0.842223 Si\n0.700530 0.700763 0.000872 Si\n0.700530 0.000872 0.700763 Si\n0.001556 0.462309 0.160894 Si\n0.002572 0.301105 0.301105 Si\n0.999914 0.681153 0.838744 N\n0.999914 0.838744 0.681153 N\n0.145955 0.693727 0.693727 N\n0.999525 0.304536 0.449826 N\n0.159651 0.845859 0.158601 N\n0.159651 0.158601 0.845859 N\n0.152982 0.480704 0.150985 N\n0.152982 0.150985 0.480704 N\n0.158968 0.316479 0.316479 N\n0.449928 0.997674 0.302498 N\n0.327635 0.999069 0.849388 N\n0.327635 0.849388 0.999069 N\n0.695773 0.846833 0.998517 N\n0.525880 0.675037 0.675037 N\n0.550706 0.856392 0.553031 N\n0.550706 0.553031 0.856392 N\n0.325037 0.161960 0.325207 N\n0.325037 0.325207 0.161960 N\n0.301615 0.992221 0.446432 N\n0.301615 0.446432 0.992221 N\n0.671814 0.521824 0.672334 N\n0.671814 0.672334 0.521824 N\n0.847669 0.000059 0.700810 N\n0.449928 0.302498 0.997674 N\n0.478764 0.150289 0.150289 N\n0.695773 0.998517 0.846833 N\n0.696000 0.700725 0.147298 N\n0.696000 0.147298 0.700725 N\n0.855404 0.550438 0.550438 N\n0.000059 0.849183 0.329157 N\n0.000059 0.329157 0.849183 N\n0.847669 0.700810 0.000059 N\n0.854747 0.153784 0.153784 N\n0.856946 0.002606 0.325089 N\n0.856946 0.325089 0.002606 N\n0.999525 0.449826 0.304536 N\n0.250122 0.748550 0.500876 O\n0.250122 0.500876 0.748550 O\n0.419648 0.809251 0.809251 O\n0.188856 0.997824 0.609947 O\n0.188856 0.609947 0.997824 O\n0.387430 0.396679 0.581103 O\n0.387430 0.581103 0.396679 O\n0.485206 0.239956 0.729777 O\n0.485206 0.729777 0.239956 O\n0.608649 0.996819 0.180736 O\n0.581355 0.390843 0.390843 O\n0.809134 0.422698 0.817014 O\n0.809134 0.817014 0.422698 O\n0.756155 0.508404 0.266919 O\n0.756155 0.266919 0.508404 O\n0.608649 0.180736 0.996819 O\n0.997390 0.186291 0.609258 O\n0.997390 0.609258 0.186291 O\n",
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"elements": [
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],
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"volume": 1231.9199155827973,
"volume_molar": 7.64824240895559,
"formula_full": "Sr3 Nd10 Al12 Si18 N36 O18",
"formula_reduced": "Sr3Nd10Al12Si18(N2O)18",
"formula_anonymous": "A3B10C12D18E18F36",
"energy": -789.1969652399999,
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"spacegroup": 8
},
{
"id": "mp-1234723",
"created_at": "2022-09-04T14:47:05.680728Z",
"structure_string": "Mg1 Fe3 Co2 Sb1 P6 O24\n1.0\n8.668153 -0.118940 -0.144292\n4.406219 -7.599999 0.018964\n4.456762 -2.498821 -7.144173\nMg Fe Co Sb P O\n1 3 2 1 6 24\ndirect\n0.749526 0.379310 0.729077 Mg\n0.068242 0.645643 0.644420 Fe\n0.434336 0.862923 0.855049 Fe\n0.934418 0.356986 0.347884 Fe\n0.035098 0.968656 0.012425 Co\n0.496267 0.498222 0.487990 Co\n0.566881 0.137142 0.148898 Sb\n0.223888 0.259568 0.562934 P\n0.246575 0.946733 0.264023 P\n0.261273 0.542678 0.939839 P\n0.749509 0.458385 0.042313 P\n0.741510 0.046648 0.752125 P\n0.744966 0.766689 0.458085 P\n0.078285 0.094776 0.346630 O\n0.104324 0.473487 0.103638 O\n0.026493 0.332553 0.550666 O\n0.222404 0.094373 0.744141 O\n0.384914 0.216593 0.371481 O\n0.269418 0.411405 0.558333 O\n0.225252 0.940082 0.103882 O\n0.279369 0.747807 0.411001 O\n0.584798 0.595847 0.973768 O\n0.285729 0.558395 0.744714 O\n0.771006 0.251504 0.062570 O\n0.553938 0.020086 0.834921 O\n0.445514 0.975367 0.193029 O\n0.239416 0.729537 0.936060 O\n0.714093 0.451326 0.236977 O\n0.469863 0.381396 0.952900 O\n0.723960 0.247976 0.602587 O\n0.774169 0.080014 0.901600 O\n0.715150 0.593435 0.479781 O\n0.565093 0.875641 0.579493 O\n0.778803 0.904168 0.240688 O\n0.929386 0.706425 0.487439 O\n0.942422 0.478371 0.888648 O\n0.921527 0.883915 0.699991 O\n",
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"elements": [
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],
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"density_atomic": 0.07974112836073712,
"volume": 464.00146023288573,
"volume_molar": 7.552113800994541,
"formula_full": "Mg1 Fe3 Co2 Sb1 P6 O24",
"formula_reduced": "MgFe3Co2Sb(PO4)6",
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"spacegroup": 1
},
{
"id": "mp-605006",
"created_at": "2022-09-04T14:47:05.573944Z",
"structure_string": "Li8 H64 C16 S16 N8 O40\n1.0\n10.656123 0.000000 0.000000\n0.000000 10.987200 0.000000\n0.000000 0.000000 13.401595\nLi H C S N O\n8 64 16 16 8 40\ndirect\n0.750000 0.236877 0.750000 Li\n0.750000 0.263123 0.250000 Li\n0.771232 0.250000 0.500000 Li\n0.228768 0.750000 0.500000 Li\n0.250000 0.736877 0.750000 Li\n0.271232 0.750000 0.000000 Li\n0.250000 0.763123 0.250000 Li\n0.728768 0.250000 0.000000 Li\n0.171992 0.130688 0.822878 H\n0.790215 0.932251 0.637393 H\n0.425196 0.362823 0.803925 H\n0.709785 0.567749 0.137393 H\n0.802017 0.083617 0.361880 H\n0.209785 0.067749 0.362607 H\n0.911979 0.753909 0.882397 H\n0.411979 0.246091 0.382397 H\n0.588021 0.746091 0.382397 H\n0.411979 0.253909 0.617603 H\n0.709785 0.932251 0.862607 H\n0.658589 0.116339 0.373112 H\n0.425196 0.137177 0.196075 H\n0.922346 0.884108 0.562522 H\n0.140458 0.375392 0.045070 H\n0.328008 0.130688 0.677122 H\n0.328008 0.369312 0.322878 H\n0.171992 0.369312 0.177122 H\n0.422346 0.384108 0.937478 H\n0.197983 0.583617 0.361880 H\n0.841411 0.383661 0.873112 H\n0.158589 0.616339 0.126888 H\n0.574804 0.637177 0.196075 H\n0.302017 0.916383 0.861880 H\n0.828008 0.869312 0.177122 H\n0.640458 0.624608 0.545070 H\n0.697983 0.083617 0.138120 H\n0.859542 0.875392 0.045070 H\n0.925196 0.862823 0.696075 H\n0.209785 0.432251 0.637393 H\n0.671992 0.869312 0.322878 H\n0.588021 0.753909 0.617603 H\n0.341411 0.616339 0.373112 H\n0.077654 0.115892 0.437478 H\n0.925196 0.637177 0.303925 H\n0.290215 0.432251 0.862607 H\n0.359542 0.375392 0.454930 H\n0.341411 0.883661 0.626888 H\n0.077654 0.384108 0.562522 H\n0.422346 0.115892 0.062522 H\n0.577654 0.884108 0.937478 H\n0.922346 0.615892 0.437478 H\n0.140458 0.124608 0.954930 H\n0.790215 0.567749 0.362607 H\n0.088021 0.253909 0.882397 H\n0.290215 0.067749 0.137393 H\n0.577654 0.615892 0.062522 H\n0.197983 0.916383 0.638120 H\n0.158589 0.883661 0.873112 H\n0.697983 0.416383 0.861880 H\n0.074804 0.137177 0.303925 H\n0.074804 0.362823 0.696075 H\n0.574804 0.862823 0.803925 H\n0.302017 0.583617 0.138120 H\n0.841411 0.116339 0.126888 H\n0.658589 0.383661 0.626888 H\n0.828008 0.630688 0.822878 H\n0.640458 0.875392 0.454930 H\n0.911979 0.746091 0.117603 H\n0.671992 0.630688 0.677122 H\n0.088021 0.246091 0.117603 H\n0.802017 0.416383 0.638120 H\n0.359542 0.124608 0.545070 H\n0.859542 0.624608 0.954930 H\n0.607596 0.920815 0.865135 C\n0.605931 0.844420 0.382094 C\n0.105931 0.155580 0.882094 C\n0.607596 0.579185 0.134865 C\n0.107596 0.079185 0.365135 C\n0.107596 0.420815 0.634865 C\n0.394069 0.344420 0.382094 C\n0.105931 0.344420 0.117906 C\n0.605931 0.655580 0.617906 C\n0.392404 0.079185 0.134865 C\n0.894069 0.655580 0.882094 C\n0.892404 0.579185 0.365135 C\n0.892404 0.920815 0.634865 C\n0.392404 0.420815 0.865135 C\n0.894069 0.844420 0.117906 C\n0.394069 0.155580 0.617906 C\n0.038716 0.579282 0.858899 S\n0.961284 0.079282 0.858899 S\n0.537702 0.432432 0.149050 S\n0.961284 0.420718 0.141101 S\n0.037702 0.932432 0.350950 S\n0.037702 0.567568 0.649050 S\n0.962298 0.432432 0.350950 S\n0.462298 0.932432 0.149050 S\n0.537702 0.067568 0.850950 S\n0.038716 0.920718 0.141101 S\n0.461284 0.579282 0.641101 S\n0.962298 0.067568 0.649050 S\n0.538716 0.079282 0.641101 S\n0.462298 0.567568 0.850950 S\n0.461284 0.920718 0.358899 S\n0.538716 0.420718 0.358899 S\n0.409867 0.626137 0.748295 N\n0.409867 0.873863 0.251705 N\n0.090133 0.873863 0.248295 N\n0.090133 0.626137 0.751705 N\n0.909867 0.373863 0.248295 N\n0.590133 0.126137 0.748295 N\n0.590133 0.373863 0.251705 N\n0.909867 0.126137 0.751705 N\n0.129168 0.620513 0.932744 O\n0.916991 0.355625 0.431583 O\n0.370832 0.620513 0.567256 O\n0.083009 0.855625 0.431583 O\n0.487862 0.051890 0.359159 O\n0.987862 0.551890 0.140841 O\n0.400849 0.449536 0.152005 O\n0.370832 0.879487 0.432744 O\n0.099151 0.449536 0.347995 O\n0.757027 0.152357 0.132571 O\n0.757027 0.347643 0.867429 O\n0.629168 0.120513 0.567256 O\n0.257027 0.652357 0.367429 O\n0.242973 0.652357 0.132571 O\n0.400849 0.050464 0.847995 O\n0.583009 0.144375 0.931583 O\n0.099151 0.050464 0.652005 O\n0.242973 0.847643 0.867429 O\n0.870832 0.120513 0.932744 O\n0.583009 0.355625 0.068417 O\n0.742973 0.152357 0.367429 O\n0.416991 0.644375 0.931583 O\n0.987862 0.948110 0.859159 O\n0.512138 0.948110 0.640841 O\n0.083009 0.644375 0.568417 O\n0.512138 0.551890 0.359159 O\n0.599151 0.550464 0.847995 O\n0.012138 0.051890 0.140841 O\n0.129168 0.879487 0.067256 O\n0.870832 0.379487 0.067256 O\n0.416991 0.855625 0.068417 O\n0.900849 0.949536 0.347995 O\n0.599151 0.949536 0.152005 O\n0.629168 0.379487 0.432744 O\n0.916991 0.144375 0.568417 O\n0.012138 0.448110 0.859159 O\n0.257027 0.847643 0.632571 O\n0.900849 0.550464 0.652005 O\n0.742973 0.347643 0.632571 O\n0.487862 0.448110 0.640841 O\n",
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"formula_full": "Li8 H64 C16 S16 N8 O40",
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},
{
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"structure_string": "Ca5 Dy1 Ti5 Fe1 Si6 O30\n1.0\n5.511095 0.000000 0.000000\n2.280463 7.160313 0.000000\n1.218471 0.447283 14.449874\nCa Dy Ti Fe Si O\n5 1 5 1 6 30\ndirect\n0.067649 0.103319 0.638183 Ca\n0.395300 0.775793 0.972589 Ca\n0.602150 0.226796 0.025114 Ca\n0.935963 0.895095 0.364849 Ca\n0.270905 0.557214 0.693500 Ca\n0.728657 0.443106 0.307884 Dy\n0.662263 0.843114 0.168346 Ti\n0.994008 0.505604 0.000306 Ti\n0.006386 0.493898 0.500579 Ti\n0.331869 0.168430 0.833720 Ti\n0.666433 0.832333 0.665904 Ti\n0.333649 0.164643 0.334948 Fe\n0.066957 0.111400 0.144487 Si\n0.406698 0.770534 0.476197 Si\n0.262683 0.556240 0.189980 Si\n0.741075 0.439388 0.809451 Si\n0.597082 0.227845 0.523287 Si\n0.925411 0.894371 0.855941 Si\n0.434880 0.685774 0.222269 O\n0.738505 0.690330 0.059890 O\n0.769959 0.353927 0.556798 O\n0.931157 0.315299 0.094581 O\n0.038985 0.141909 0.257175 O\n0.962030 0.637990 0.232302 O\n0.061888 0.361807 0.392514 O\n0.100475 0.021917 0.885846 O\n0.267191 0.978150 0.432018 O\n0.367510 0.017605 0.104627 O\n0.398303 0.787559 0.589791 O\n0.273756 0.539437 0.076479 O\n0.297520 0.317261 0.564980 O\n0.416603 0.353352 0.237619 O\n0.410241 0.022910 0.725672 O\n0.601448 0.967981 0.274741 O\n0.605434 0.645549 0.761060 O\n0.701445 0.672892 0.430513 O\n0.725213 0.462227 0.922781 O\n0.614175 0.219565 0.409211 O\n0.628292 0.985820 0.899042 O\n0.730721 0.017930 0.567729 O\n0.900073 0.977670 0.113844 O\n0.929451 0.646578 0.604338 O\n0.038632 0.347261 0.767204 O\n0.940479 0.872685 0.742573 O\n0.062881 0.687687 0.904028 O\n0.235454 0.640365 0.445061 O\n0.256798 0.309850 0.939514 O\n0.565362 0.311590 0.780535 O\n",
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},
{
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{
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{
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}
]
}