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{
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{
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{
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"structure_string": "Ca1 Zn1 Sn1 W1 O6\n1.0\n0.000000 -4.008987 -4.008987\n4.008987 0.000000 -4.008987\n4.008987 -4.008987 0.000000\nCa Zn Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.742166 0.257835 0.257835 O\n0.257835 0.742166 0.742166 O\n0.742166 0.257835 0.742166 O\n0.257835 0.742166 0.257835 O\n0.742166 0.742166 0.257835 O\n0.257835 0.257835 0.742166 O\n",
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"formula_full": "Ca1 Zn1 Sn1 W1 O6",
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{
"id": "mp-1028979",
"created_at": "2022-09-04T14:45:36.566765Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n1.689671 -2.926596 0.000000\n1.689671 2.926596 0.000000\n0.000000 0.000000 38.492610\nTe Mo W Se\n2 2 2 6\ndirect\n0.333333 0.666667 0.420815 Te\n0.333333 0.666667 0.518500 Te\n0.000000 0.000000 0.093920 Mo\n0.000000 0.000000 0.469670 Mo\n0.333333 0.666667 0.281781 W\n0.333333 0.666667 0.657563 W\n0.000000 0.000000 0.324970 Se\n0.000000 0.000000 0.700730 Se\n0.333333 0.666667 0.050887 Se\n0.333333 0.666667 0.136957 Se\n0.000000 0.000000 0.238597 Se\n0.000000 0.000000 0.614356 Se\n",
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{
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"structure_string": "Be1 O1\n1.0\n0.000000 1.912045 1.912045\n1.912045 0.000000 1.912045\n1.912045 1.912045 0.000000\nBe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 O\n",
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"updated_at": "2021-11-28T01:38:10.209000Z",
"spacegroup": 216
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{
"id": "mp-757346",
"created_at": "2022-09-04T14:47:09.912257Z",
"structure_string": "Li4 Cr4 P4 O16\n1.0\n5.194262 0.000000 0.000000\n0.000000 8.088102 0.000000\n0.000000 1.195534 8.794751\nLi Cr P O\n4 4 4 16\ndirect\n0.874334 0.019356 0.124923 Li\n0.566952 0.430439 0.695571 Li\n0.066952 0.569561 0.304429 Li\n0.374334 0.980644 0.875077 Li\n0.023202 0.824106 0.590708 Cr\n0.476083 0.624245 0.062586 Cr\n0.976083 0.375755 0.937414 Cr\n0.523202 0.175894 0.409292 Cr\n0.563396 0.791274 0.381317 P\n0.924843 0.734687 0.938877 P\n0.424843 0.265313 0.061123 P\n0.063396 0.208726 0.618683 P\n0.632698 0.969849 0.303114 O\n0.397263 0.805807 0.522430 O\n0.212449 0.774939 0.948406 O\n0.748180 0.871144 0.982963 O\n0.823003 0.697967 0.430394 O\n0.410507 0.691745 0.273313 O\n0.852310 0.682732 0.782465 O\n0.882392 0.572305 0.064604 O\n0.382392 0.427695 0.935396 O\n0.352310 0.317268 0.217535 O\n0.910507 0.308255 0.726687 O\n0.323003 0.302033 0.569606 O\n0.248180 0.128856 0.017037 O\n0.712449 0.225061 0.051594 O\n0.897263 0.194193 0.477570 O\n0.132698 0.030151 0.696886 O\n",
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],
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"density": 2.766798730267923,
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"formula_full": "Li4 Cr4 P4 O16",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
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{
"id": "mp-757200",
"created_at": "2022-09-04T14:48:13.656040Z",
"structure_string": "Li6 Si4 Bi6 O20\n1.0\n6.905482 0.000000 0.000000\n0.000000 5.455064 0.000000\n0.000000 0.389376 12.904011\nLi Si Bi O\n6 4 6 20\ndirect\n0.269156 0.016297 0.463031 Li\n0.517335 0.979996 0.265840 Li\n0.482665 0.979996 0.765840 Li\n0.730844 0.016297 0.963031 Li\n0.961620 0.473779 0.058014 Li\n0.038380 0.473779 0.558014 Li\n0.262038 0.532175 0.341844 Si\n0.212215 0.004818 0.002516 Si\n0.737962 0.532175 0.841844 Si\n0.787785 0.004818 0.502516 Si\n0.257429 0.446692 0.824990 Bi\n0.492026 0.490287 0.594676 Bi\n0.507974 0.490287 0.094676 Bi\n0.742571 0.446692 0.324990 Bi\n0.033080 0.950886 0.711993 Bi\n0.966920 0.950886 0.211993 Bi\n0.321095 0.818502 0.345786 O\n0.256242 0.392040 0.457811 O\n0.220635 0.015503 0.873538 O\n0.198076 0.289887 0.041644 O\n0.299613 0.738235 0.698521 O\n0.235929 0.254524 0.677177 O\n0.411321 0.881997 0.050890 O\n0.417779 0.373111 0.269536 O\n0.582221 0.373111 0.769536 O\n0.588679 0.881997 0.550890 O\n0.678905 0.818502 0.845786 O\n0.779365 0.015503 0.373538 O\n0.801924 0.289887 0.541644 O\n0.743758 0.392040 0.957811 O\n0.764071 0.254524 0.177177 O\n0.700387 0.738235 0.198521 O\n0.987716 0.854610 0.541636 O\n0.948418 0.516717 0.780512 O\n0.051582 0.516717 0.280512 O\n0.012284 0.854610 0.041636 O\n",
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"formula_full": "Li6 Si4 Bi6 O20",
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{
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"structure_string": "Mg1 Al4 Tl4 O12\n1.0\n5.457134 0.089804 0.176085\n0.110944 5.438045 0.818075\n0.241333 1.098195 9.444504\nMg Al Tl O\n1 4 4 12\ndirect\n0.955331 0.241476 0.397645 Mg\n0.001797 0.479014 0.986090 Al\n0.065373 0.636616 0.603422 Al\n0.490102 0.947070 0.983980 Al\n0.565167 0.025198 0.570250 Al\n0.013202 0.065018 0.786121 Tl\n0.525256 0.493978 0.804084 Tl\n0.469121 0.412021 0.191754 Tl\n0.947672 0.859952 0.214649 Tl\n0.062965 0.385193 0.187974 O\n0.094776 0.343610 0.558899 O\n0.235935 0.202568 0.945257 O\n0.287409 0.714164 0.925142 O\n0.354705 0.775413 0.605753 O\n0.445173 0.812209 0.177596 O\n0.587761 0.114168 0.741358 O\n0.700406 0.272710 0.026113 O\n0.589861 0.272653 0.410925 O\n0.805920 0.792232 0.972235 O\n0.866491 0.892750 0.533645 O\n0.935580 0.524487 0.785442 O\n",
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{
"id": "mp-1260118",
"created_at": "2022-09-04T14:47:05.162101Z",
"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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"formula_full": "Sr3 Nd10 Al12 Si18 N36 O18",
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{
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{
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{
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]
}