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{
"id": "mp-570211",
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"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.523518 0.000000 0.000000\n0.000000 6.160583 0.000000\n0.000000 0.565328 12.458561\nHg C Se N\n2 4 4 4\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.231404 0.554049 0.624119 C\n0.768596 0.445951 0.375881 C\n0.268596 0.554049 0.124119 C\n0.731404 0.445951 0.875881 C\n0.666489 0.157221 0.852897 Se\n0.833511 0.157221 0.352897 Se\n0.333511 0.842779 0.147103 Se\n0.166489 0.842779 0.647103 Se\n0.766734 0.632873 0.885624 N\n0.233266 0.367127 0.114376 N\n0.733266 0.632873 0.385624 N\n0.266734 0.367127 0.614376 N\n",
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{
"id": "mp-6174",
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"structure_string": "Mg4 Al8 Si10 O36\n1.0\n4.915120 -8.633584 0.000000\n4.915120 8.633584 0.000000\n0.000000 0.000000 9.440160\nMg Al Si O\n4 8 10 36\ndirect\n0.337469 0.662531 0.250000 Mg\n0.662531 0.337469 0.250000 Mg\n0.662531 0.337469 0.750000 Mg\n0.337469 0.662531 0.750000 Mg\n0.000000 0.500000 0.249924 Al\n0.500000 0.000000 0.250076 Al\n0.500000 0.000000 0.749924 Al\n0.000000 0.500000 0.750076 Al\n0.257615 0.358387 0.500000 Al\n0.742385 0.641613 0.500000 Al\n0.358387 0.257615 0.000000 Al\n0.641613 0.742385 0.000000 Al\n0.113488 0.729109 0.500000 Si\n0.886512 0.270891 0.500000 Si\n0.270891 0.886512 0.000000 Si\n0.729109 0.113488 0.000000 Si\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n0.898461 0.627906 0.000000 Si\n0.101539 0.372094 0.000000 Si\n0.627906 0.898461 0.500000 Si\n0.372094 0.101539 0.500000 Si\n0.353793 0.478727 0.348938 O\n0.136589 0.483457 0.858195 O\n0.483457 0.136589 0.358195 O\n0.516543 0.863411 0.358195 O\n0.243006 0.914582 0.500000 O\n0.756994 0.085418 0.500000 O\n0.914582 0.243006 0.000000 O\n0.085418 0.756994 0.000000 O\n0.291905 0.205022 0.500000 O\n0.708095 0.794978 0.500000 O\n0.205022 0.291905 0.000000 O\n0.794978 0.708095 0.000000 O\n0.063193 0.307155 0.500000 O\n0.936807 0.692845 0.500000 O\n0.307155 0.063193 0.000000 O\n0.692845 0.936807 0.000000 O\n0.516543 0.863411 0.641805 O\n0.483457 0.136589 0.641805 O\n0.649901 0.144150 0.141512 O\n0.136589 0.483457 0.141805 O\n0.144150 0.649901 0.358488 O\n0.855850 0.350099 0.358488 O\n0.350099 0.855850 0.858488 O\n0.649901 0.144150 0.858488 O\n0.855850 0.350099 0.641512 O\n0.144150 0.649901 0.641512 O\n0.521273 0.646207 0.151062 O\n0.478727 0.353793 0.151062 O\n0.646207 0.521273 0.348938 O\n0.350099 0.855850 0.141512 O\n0.478727 0.353793 0.848938 O\n0.521273 0.646207 0.848938 O\n0.353793 0.478727 0.651062 O\n0.646207 0.521273 0.651062 O\n0.863411 0.516543 0.141805 O\n0.863411 0.516543 0.858195 O\n",
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"formula_full": "Mg4 Al8 Si10 O36",
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{
"id": "mp-1019713",
"created_at": "2022-09-04T14:42:14.698084Z",
"structure_string": "Cs16 Si12 O32\n1.0\n9.537101 0.000000 0.000000\n-4.629841 10.347453 0.000000\n-2.540005 -4.133637 12.791512\nCs Si O\n16 12 32\ndirect\n0.606632 0.268769 0.750772 Cs\n0.393368 0.731231 0.249228 Cs\n0.959255 0.728263 0.243499 Cs\n0.040745 0.271737 0.756501 Cs\n0.381675 0.900375 0.828861 Cs\n0.618325 0.099625 0.171139 Cs\n0.932567 0.900976 0.828917 Cs\n0.067433 0.099024 0.171083 Cs\n0.609733 0.924002 0.590918 Cs\n0.390267 0.075998 0.409082 Cs\n0.375364 0.258239 0.993791 Cs\n0.624636 0.741761 0.006209 Cs\n0.925888 0.545390 0.640534 Cs\n0.074112 0.454610 0.359466 Cs\n0.429701 0.556858 0.657149 Cs\n0.570299 0.443142 0.342851 Cs\n0.818285 0.951492 0.357260 Si\n0.181715 0.048508 0.642740 Si\n0.191434 0.791126 0.521739 Si\n0.808566 0.208874 0.478261 Si\n0.866187 0.795315 0.516114 Si\n0.133813 0.204685 0.483886 Si\n0.195649 0.598681 0.934755 Si\n0.804351 0.401319 0.065245 Si\n0.807098 0.140897 0.942236 Si\n0.192902 0.859103 0.057764 Si\n0.874304 0.599237 0.927563 Si\n0.125696 0.400763 0.072437 Si\n0.983161 0.947536 0.606154 O\n0.016839 0.052464 0.393846 O\n0.786039 0.825148 0.410005 O\n0.213961 0.174852 0.589995 O\n0.746257 0.890917 0.233365 O\n0.253743 0.109083 0.766635 O\n0.263640 0.959195 0.588105 O\n0.736360 0.040805 0.411895 O\n0.749745 0.217918 0.581327 O\n0.250255 0.782082 0.418673 O\n0.238956 0.715652 0.600161 O\n0.761044 0.284348 0.399839 O\n0.987452 0.732816 0.484310 O\n0.012548 0.267184 0.515690 O\n0.730238 0.697676 0.555961 O\n0.269762 0.302324 0.444039 O\n0.997269 0.542813 0.887179 O\n0.002731 0.457187 0.112821 O\n0.779741 0.499099 0.993636 O\n0.220259 0.500901 0.006364 O\n0.278452 0.593679 0.844258 O\n0.721548 0.406321 0.155742 O\n0.728113 0.246476 0.981564 O\n0.271887 0.753524 0.018436 O\n0.750202 0.086712 0.816341 O\n0.249798 0.913288 0.183659 O\n0.766297 0.026557 0.000871 O\n0.233703 0.973443 0.999129 O\n0.990009 0.752550 0.014384 O\n0.009991 0.247450 0.985616 O\n0.748909 0.598028 0.831967 O\n0.251091 0.401972 0.168033 O\n",
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"elements": [
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{
"id": "mp-504426",
"created_at": "2022-09-04T14:42:14.348597Z",
"structure_string": "Li4 H20 S4 N8 O16\n1.0\n5.137291 0.000000 0.000000\n0.000000 9.161966 0.000000\n0.000000 0.000000 10.052383\nLi H S N O\n4 20 4 8 16\ndirect\n0.747600 0.564855 0.331240 Li\n0.247600 0.435145 0.668760 Li\n0.747600 0.935145 0.831240 Li\n0.247600 0.064855 0.168760 Li\n0.231779 0.614685 0.118419 H\n0.731779 0.385315 0.881581 H\n0.231779 0.885315 0.618419 H\n0.731779 0.114685 0.381581 H\n0.436843 0.531147 0.014287 H\n0.936843 0.468853 0.985713 H\n0.436843 0.968853 0.514287 H\n0.936843 0.031147 0.485713 H\n0.312237 0.818061 0.343057 H\n0.812237 0.181939 0.656943 H\n0.312237 0.681939 0.843057 H\n0.812237 0.318061 0.156943 H\n0.082024 0.740107 0.443610 H\n0.582024 0.259893 0.556390 H\n0.082024 0.759893 0.943610 H\n0.582024 0.240107 0.056390 H\n0.406201 0.715345 0.473086 H\n0.906201 0.284655 0.526914 H\n0.406201 0.784655 0.973086 H\n0.906201 0.215345 0.026914 H\n0.745384 0.867734 0.158350 S\n0.245384 0.132266 0.841650 S\n0.745384 0.632266 0.658350 S\n0.245384 0.367734 0.341650 S\n0.255438 0.581236 0.021721 N\n0.755438 0.418764 0.978279 N\n0.255438 0.918764 0.521721 N\n0.755438 0.081236 0.478279 N\n0.264922 0.788792 0.440800 N\n0.764922 0.211208 0.559200 N\n0.264922 0.711208 0.940800 N\n0.764922 0.288792 0.059200 N\n0.462457 0.888086 0.191982 O\n0.962457 0.111914 0.808018 O\n0.462457 0.611914 0.691982 O\n0.962457 0.388086 0.308018 O\n0.764127 0.842252 0.010533 O\n0.264127 0.157748 0.989467 O\n0.764127 0.657748 0.510533 O\n0.264127 0.342252 0.489467 O\n0.850321 0.738831 0.228913 O\n0.350321 0.261169 0.771087 O\n0.850321 0.761169 0.728913 O\n0.350321 0.238831 0.271087 O\n0.390568 0.502107 0.305562 O\n0.890568 0.497893 0.694438 O\n0.390568 0.997893 0.805562 O\n0.890568 0.002107 0.194438 O\n",
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{
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"structure_string": "Ba1 Sr1 Mg6 O8\n1.0\n9.479333 -0.000000 0.000000\n-0.000000 4.743506 0.000000\n0.000000 0.000000 4.743506\nBa Sr Mg O\n1 1 6 8\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.239353 -0.000000 0.500000 Mg\n0.760647 0.000000 0.500000 Mg\n0.239353 0.500000 -0.000000 Mg\n0.760647 0.500000 0.000000 Mg\n0.240194 -0.000000 0.000000 O\n0.759806 0.000000 -0.000000 O\n0.241549 0.500000 0.500000 O\n0.758451 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1029144",
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"structure_string": "Te4 Mo2 W2 Se4\n1.0\n1.719502 -2.978265 0.000000\n1.719502 2.978265 0.000000\n0.000000 0.000000 39.107824\nTe Mo W Se\n4 2 2 4\ndirect\n0.000000 0.000000 0.705237 Te\n0.333333 0.666667 0.046514 Te\n0.333333 0.666667 0.141351 Te\n0.000000 0.000000 0.609823 Te\n0.000000 0.000000 0.093906 Mo\n0.333333 0.666667 0.281783 Mo\n0.000000 0.000000 0.469637 W\n0.333333 0.666667 0.657558 W\n0.000000 0.000000 0.323670 Se\n0.333333 0.666667 0.427687 Se\n0.333333 0.666667 0.511603 Se\n0.000000 0.000000 0.239980 Se\n",
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{
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"structure_string": "Sr2 Mg2 Ni2 P4 O16\n1.0\n5.402905 -0.006582 -1.065730\n-1.453255 6.303419 -2.440553\n-0.004238 -0.074827 9.297524\nSr Mg Ni P O\n2 2 2 4 16\ndirect\n0.250733 0.802125 0.051697 Sr\n0.749267 0.197875 0.948303 Sr\n0.984829 0.388329 0.655478 Mg\n0.015171 0.611671 0.344522 Mg\n0.640921 0.853322 0.560519 Ni\n0.359079 0.146678 0.439481 Ni\n0.397386 0.425518 0.238786 P\n0.602614 0.574482 0.761214 P\n0.844209 0.026317 0.303753 P\n0.155791 0.973683 0.696247 P\n0.820349 0.547215 0.882323 O\n0.660920 0.472669 0.207172 O\n0.662022 0.800785 0.764103 O\n0.955711 0.117311 0.695757 O\n0.339080 0.527331 0.792828 O\n0.998483 0.745417 0.573896 O\n0.001517 0.254583 0.426104 O\n0.259402 0.994887 0.866330 O\n0.337978 0.199215 0.235897 O\n0.740598 0.005113 0.133670 O\n0.179651 0.452785 0.117677 O\n0.382956 0.592373 0.402884 O\n0.617044 0.407627 0.597116 O\n0.621386 0.954545 0.369522 O\n0.044289 0.882689 0.304243 O\n0.378614 0.045455 0.630478 O\n",
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{
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"structure_string": "Dy4 Ag4 Se8\n1.0\n4.283353 0.000000 0.000000\n0.000000 6.848810 0.000000\n0.000000 0.000000 13.855375\nDy Ag Se\n4 4 8\ndirect\n0.271697 0.708762 0.628318 Dy\n0.771697 0.791238 0.371682 Dy\n0.728303 0.208762 0.871682 Dy\n0.228303 0.291238 0.128318 Dy\n0.498043 0.704495 0.875916 Ag\n0.998043 0.795505 0.124084 Ag\n0.501957 0.204495 0.624084 Ag\n0.001957 0.295505 0.375916 Ag\n0.769799 0.910813 0.726813 Se\n0.269799 0.589187 0.273187 Se\n0.230201 0.410813 0.773187 Se\n0.730201 0.089187 0.226813 Se\n0.765115 0.512354 0.527107 Se\n0.265115 0.987646 0.472893 Se\n0.234885 0.012354 0.972893 Se\n0.734885 0.487646 0.027107 Se\n",
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