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{
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{
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{
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"structure_string": "Zr15 Te18\n1.0\n5.904009 -10.226044 0.000000\n5.904009 10.226044 0.000000\n0.000000 0.000000 7.174039\nZr Te\n15 18\ndirect\n0.000000 0.362727 0.500000 Zr\n0.362727 0.000000 0.500000 Zr\n0.637273 0.637273 0.500000 Zr\n0.000000 0.637273 0.500000 Zr\n0.637273 0.000000 0.500000 Zr\n0.362727 0.362727 0.500000 Zr\n0.297871 0.297871 0.000000 Zr\n0.000000 0.702129 0.000000 Zr\n0.702129 0.000000 0.000000 Zr\n0.702129 0.702129 0.000000 Zr\n0.000000 0.297871 0.000000 Zr\n0.297871 0.000000 0.000000 Zr\n0.333333 0.666667 0.511384 Zr\n0.666667 0.333333 0.488616 Zr\n0.000000 0.000000 0.000000 Zr\n0.224501 0.775499 0.244799 Te\n0.550997 0.775499 0.244799 Te\n0.224501 0.449003 0.244799 Te\n0.775499 0.550997 0.755201 Te\n0.775499 0.224501 0.755201 Te\n0.449003 0.224501 0.755201 Te\n0.117600 0.558800 0.790892 Te\n0.441200 0.558800 0.790892 Te\n0.441200 0.882400 0.790892 Te\n0.558800 0.441200 0.209108 Te\n0.882400 0.441200 0.209108 Te\n0.558800 0.117600 0.209108 Te\n0.106548 0.213096 0.710967 Te\n0.786904 0.893452 0.710967 Te\n0.106548 0.893452 0.710967 Te\n0.893452 0.786904 0.289033 Te\n0.893452 0.106548 0.289033 Te\n0.213096 0.106548 0.289033 Te\n",
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"formula_full": "Zr15 Te18",
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{
"id": "mp-1189342",
"created_at": "2022-09-04T14:43:20.698167Z",
"structure_string": "Zr10 Te2 Pb6\n1.0\n4.468274 -7.739278 0.000000\n4.468274 7.739278 0.000000\n0.000000 0.000000 6.159925\nZr Te Pb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.720098 0.720098 0.750000 Zr\n0.279902 0.000000 0.750000 Zr\n0.000000 0.279902 0.750000 Zr\n0.279902 0.279902 0.250000 Zr\n0.720098 0.000000 0.250000 Zr\n0.000000 0.720098 0.250000 Zr\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.385938 0.385938 0.750000 Pb\n0.614062 0.000000 0.750000 Pb\n0.000000 0.614062 0.750000 Pb\n0.614062 0.614062 0.250000 Pb\n0.385938 0.000000 0.250000 Pb\n0.000000 0.385938 0.250000 Pb\n",
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{
"id": "mp-1216998",
"created_at": "2022-09-04T14:43:39.396912Z",
"structure_string": "Zr5 Ti5 Pb6\n1.0\n-0.001924 -0.003333 -5.780377\n-4.313922 -7.471932 -0.005616\n-4.221682 7.418677 0.002808\nZr Ti Pb\n5 5 6\ndirect\n0.750199 0.761522 0.763176 Zr\n0.750199 0.998347 0.236824 Zr\n0.249851 0.757365 0.000000 Zr\n0.249790 0.233852 0.234697 Zr\n0.249790 0.999155 0.765303 Zr\n0.499928 0.333460 0.664280 Ti\n0.499928 0.669180 0.335720 Ti\n0.000134 0.669288 0.335767 Ti\n0.000134 0.333521 0.664233 Ti\n0.750212 0.249779 0.000000 Ti\n0.750059 0.594999 0.000000 Pb\n0.749966 0.395884 0.388917 Pb\n0.749966 0.006967 0.611083 Pb\n0.249867 0.397563 0.000000 Pb\n0.249989 0.598771 0.598425 Pb\n0.249989 0.000346 0.401575 Pb\n",
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{
"id": "mp-860957",
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"structure_string": "Zr5 Ti7 O24\n1.0\n5.651111 0.000000 0.000000\n0.000000 4.812172 0.000000\n0.000000 0.415922 15.204927\nZr Ti O\n5 7 24\ndirect\n0.813943 0.000000 0.000000 Zr\n0.205409 0.000000 0.500000 Zr\n0.803516 0.988899 0.334063 Zr\n0.803516 0.011101 0.665937 Zr\n0.310537 0.500000 0.000000 Zr\n0.189191 0.011627 0.829727 Ti\n0.189191 0.988373 0.170273 Ti\n0.322569 0.487428 0.329778 Ti\n0.322569 0.512572 0.670222 Ti\n0.686107 0.488626 0.166888 Ti\n0.686107 0.511374 0.833112 Ti\n0.671389 0.500000 0.500000 Ti\n0.888133 0.241819 0.550675 O\n0.113385 0.199813 0.063292 O\n0.894046 0.259625 0.887823 O\n0.882501 0.212705 0.217519 O\n0.110773 0.228911 0.384029 O\n0.122565 0.241414 0.722972 O\n0.609125 0.286531 0.061790 O\n0.383439 0.247278 0.226358 O\n0.395879 0.289031 0.567351 O\n0.390954 0.260849 0.886767 O\n0.591575 0.260542 0.400407 O\n0.615605 0.318452 0.726684 O\n0.383439 0.752722 0.773642 O\n0.609125 0.713469 0.938210 O\n0.390954 0.739151 0.113233 O\n0.395879 0.710969 0.432649 O\n0.615605 0.681548 0.273316 O\n0.591575 0.739458 0.599593 O\n0.113385 0.800187 0.936708 O\n0.122565 0.758586 0.277028 O\n0.882501 0.787295 0.782481 O\n0.894046 0.740375 0.112177 O\n0.888133 0.758181 0.449325 O\n0.110773 0.771089 0.615971 O\n",
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{
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"structure_string": "Zr10 Ti14 O48\n1.0\n14.547423 0.000000 0.000000\n0.000000 5.412210 0.000000\n0.000000 5.426265 10.136476\nZr Ti O\n10 14 48\ndirect\n0.251622 0.862474 0.874632 Zr\n0.254270 0.355793 0.378033 Zr\n0.255509 0.639707 0.628277 Zr\n0.252682 0.140551 0.124238 Zr\n0.080388 0.790513 0.407612 Zr\n0.919612 0.790513 0.907612 Zr\n0.747318 0.140551 0.624238 Zr\n0.745730 0.355793 0.878033 Zr\n0.748378 0.862474 0.374632 Zr\n0.744491 0.639707 0.128277 Zr\n0.084349 0.151862 0.655554 Ti\n0.084029 0.650398 0.157909 Ti\n0.084253 0.280668 0.905515 Ti\n0.915747 0.280668 0.405515 Ti\n0.915971 0.650398 0.657909 Ti\n0.915651 0.151862 0.155554 Ti\n0.580410 0.844131 0.840744 Ti\n0.579706 0.342307 0.341439 Ti\n0.578545 0.227167 0.091361 Ti\n0.580772 0.725070 0.590772 Ti\n0.421455 0.227167 0.591361 Ti\n0.419228 0.725070 0.090772 Ti\n0.420294 0.342307 0.841439 Ti\n0.419590 0.844131 0.340744 Ti\n0.171012 0.443399 0.968070 O\n0.179650 0.954768 0.472733 O\n0.171982 0.866785 0.719398 O\n0.168404 0.357011 0.221544 O\n0.166488 0.412986 0.516940 O\n0.168549 0.310277 0.764428 O\n0.167528 0.801189 0.260062 O\n0.162771 0.912966 0.013126 O\n0.022485 0.063803 0.817991 O\n0.009330 0.549694 0.320339 O\n0.007392 0.534624 0.580596 O\n0.007392 0.049887 0.068453 O\n0.990670 0.549694 0.820339 O\n0.977515 0.063803 0.317991 O\n0.992608 0.534624 0.080596 O\n0.992608 0.049887 0.568453 O\n0.832472 0.801189 0.760062 O\n0.837229 0.912966 0.513126 O\n0.831451 0.310277 0.264428 O\n0.833512 0.412986 0.016940 O\n0.820350 0.954768 0.972733 O\n0.828988 0.443399 0.468070 O\n0.831596 0.357011 0.721544 O\n0.828018 0.866785 0.219398 O\n0.667641 0.129344 0.783187 O\n0.666251 0.629686 0.286205 O\n0.668697 0.554673 0.534787 O\n0.663104 0.053399 0.034754 O\n0.661241 0.585312 0.984594 O\n0.662220 0.085700 0.485207 O\n0.660143 0.692087 0.735709 O\n0.660457 0.195390 0.235397 O\n0.511909 0.955019 0.674835 O\n0.510562 0.455430 0.175519 O\n0.510044 0.448462 0.925305 O\n0.511194 0.947466 0.424735 O\n0.488806 0.947466 0.924735 O\n0.489956 0.448462 0.425305 O\n0.489438 0.455430 0.675519 O\n0.488091 0.955019 0.174835 O\n0.339543 0.195390 0.735397 O\n0.339857 0.692087 0.235709 O\n0.337780 0.085700 0.985207 O\n0.338759 0.585312 0.484594 O\n0.331303 0.554673 0.034787 O\n0.336896 0.053399 0.534754 O\n0.333749 0.629686 0.786205 O\n0.332359 0.129344 0.283187 O\n",
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{
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"spacegroup": 122
},
{
"id": "mp-1207439",
"created_at": "2022-09-04T14:44:52.504430Z",
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"spacegroup": 12
},
{
"id": "mp-696132",
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"structure_string": "Zr10 Zn2 Pb6\n1.0\n4.418639 -7.653307 0.000000\n4.418639 7.653307 0.000000\n0.000000 0.000000 5.956352\nZr Zn Pb\n10 2 6\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.266599 0.000000 0.250000 Zr\n0.266599 0.266599 0.750000 Zr\n0.000000 0.733401 0.750000 Zr\n0.000000 0.266599 0.250000 Zr\n0.733401 0.733401 0.250000 Zr\n0.733401 0.000000 0.750000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.615942 0.000000 0.250000 Pb\n0.615942 0.615942 0.750000 Pb\n0.000000 0.384058 0.750000 Pb\n0.000000 0.615942 0.250000 Pb\n0.384058 0.384058 0.250000 Pb\n0.384058 0.000000 0.750000 Pb\n",
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{
"id": "mp-10870",
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"structure_string": "Zr10 Zn2 Sb6\n1.0\n4.334989 -7.508422 0.000000\n4.334989 7.508422 0.000000\n0.000000 0.000000 5.885084\nZr Zn Sb\n10 2 6\ndirect\n0.269084 0.269084 0.750000 Zr\n0.269084 0.000000 0.250000 Zr\n0.730916 0.000000 0.750000 Zr\n0.000000 0.730916 0.750000 Zr\n0.000000 0.269084 0.250000 Zr\n0.730916 0.730916 0.250000 Zr\n0.333333 0.666667 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.385332 0.750000 Sb\n0.000000 0.614668 0.250000 Sb\n0.385332 0.385332 0.250000 Sb\n0.385332 0.000000 0.750000 Sb\n0.614668 0.614668 0.750000 Sb\n0.614668 0.000000 0.250000 Sb\n",
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]
}