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{
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{
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{
"id": "mp-1192390",
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"structure_string": "Na5 Gd4 Si4 O16 F1\n1.0\n-5.904455 5.904455 2.737237\n5.904455 -5.904455 2.737237\n5.904455 5.904455 -2.737237\nNa Gd Si O F\n5 4 4 16 1\ndirect\n0.097273 0.402839 0.484599 Na\n0.918241 0.612675 0.515401 Na\n0.387325 0.902727 0.305566 Na\n0.597161 0.081759 0.694434 Na\n0.500000 0.500000 0.000000 Na\n0.137653 0.838190 0.932680 Gd\n0.905509 0.204973 0.067320 Gd\n0.795027 0.862347 0.700536 Gd\n0.161810 0.094491 0.299464 Gd\n0.243181 0.593340 0.856311 Si\n0.737029 0.386870 0.143689 Si\n0.613130 0.756819 0.350159 Si\n0.406660 0.262971 0.649841 Si\n0.127819 0.622152 0.722105 O\n0.900047 0.405714 0.277895 O\n0.594286 0.872181 0.494333 O\n0.377848 0.099953 0.505667 O\n0.545709 0.782001 0.859667 O\n0.922334 0.686042 0.140333 O\n0.313958 0.454291 0.236292 O\n0.217999 0.077666 0.763708 O\n0.037657 0.278747 0.828103 O\n0.450645 0.209555 0.171897 O\n0.790445 0.962343 0.241090 O\n0.721253 0.549355 0.758910 O\n0.237813 0.674866 0.031684 O\n0.643182 0.206129 0.968316 O\n0.793871 0.762187 0.437053 O\n0.325134 0.356818 0.562947 O\n0.000000 0.000000 0.000000 F\n",
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"formula_full": "Na5 Gd4 Si4 O16 F1",
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{
"id": "mp-554401",
"created_at": "2022-09-04T14:44:52.923478Z",
"structure_string": "Ba2 Cu4 Te4 Cl4 O12\n1.0\n7.575408 0.000000 0.000000\n0.000000 7.527838 0.000000\n0.000000 1.073105 8.308092\nBa Cu Te Cl O\n2 4 4 4 12\ndirect\n0.658818 0.136158 0.932519 Ba\n0.158818 0.863842 0.067481 Ba\n0.156678 0.359502 0.914884 Cu\n0.685552 0.310911 0.403356 Cu\n0.185552 0.689089 0.596644 Cu\n0.656678 0.640498 0.085116 Cu\n0.028824 0.131330 0.607362 Te\n0.810372 0.657915 0.766062 Te\n0.310372 0.342085 0.233938 Te\n0.528824 0.868670 0.392638 Te\n0.385758 0.453600 0.616719 Cl\n0.919452 0.114563 0.237365 Cl\n0.419452 0.885437 0.762635 Cl\n0.885758 0.546400 0.383281 Cl\n0.223962 0.522175 0.067615 O\n0.783807 0.186040 0.602982 O\n0.001742 0.874946 0.632277 O\n0.045169 0.550858 0.766863 O\n0.723962 0.477825 0.932385 O\n0.501742 0.125054 0.367723 O\n0.545169 0.449142 0.233137 O\n0.821887 0.800576 0.942277 O\n0.321887 0.199424 0.057723 O\n0.546779 0.846040 0.168083 O\n0.046779 0.153960 0.831917 O\n0.283807 0.813960 0.397018 O\n",
"nsites": 26,
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"elements": [
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"Cl",
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"formula_full": "Ba2 Cu4 Te4 Cl4 O12",
"formula_reduced": "BaCu2Te2(ClO3)2",
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"spacegroup": 4
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{
"id": "mp-2223",
"created_at": "2022-09-04T14:44:43.510073Z",
"structure_string": "Ga8 Pt16\n1.0\n3.967060 0.000000 0.000000\n0.000000 5.575880 0.000000\n0.000000 0.000000 16.688768\nGa Pt\n8 16\ndirect\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.794288 0.250000 Ga\n0.000000 0.205712 0.750000 Ga\n0.000000 0.316568 0.093146 Ga\n0.000000 0.683432 0.906854 Ga\n0.000000 0.316568 0.406854 Ga\n0.000000 0.683432 0.593146 Ga\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.268217 0.250000 Pt\n0.000000 0.731783 0.750000 Pt\n0.000000 0.795771 0.069145 Pt\n0.000000 0.204229 0.930855 Pt\n0.000000 0.795771 0.430855 Pt\n0.000000 0.204229 0.569145 Pt\n0.500000 0.051362 0.155953 Pt\n0.500000 0.948638 0.844047 Pt\n0.500000 0.051362 0.344047 Pt\n0.500000 0.948638 0.655953 Pt\n0.500000 0.557871 0.167997 Pt\n0.500000 0.442129 0.832003 Pt\n0.500000 0.557871 0.332003 Pt\n0.500000 0.442129 0.667997 Pt\n",
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{
"id": "mp-19449",
"created_at": "2022-09-04T14:44:55.185374Z",
"structure_string": "Na2 V2 Cd2 O8\n1.0\n2.974634 -4.655468 0.000000\n2.974634 4.655468 0.000000\n0.000000 0.000000 7.134053\nNa V Cd O\n2 2 2 8\ndirect\n0.319051 0.680949 0.750000 Na\n0.680949 0.319051 0.250000 Na\n0.349430 0.650570 0.250000 V\n0.650570 0.349430 0.750000 V\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.779505 0.703816 0.750000 O\n0.220495 0.296184 0.250000 O\n0.703816 0.779505 0.250000 O\n0.296184 0.220495 0.750000 O\n0.241338 0.758662 0.055125 O\n0.758662 0.241338 0.555125 O\n0.241338 0.758662 0.444875 O\n0.758662 0.241338 0.944875 O\n",
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{
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"structure_string": "Sn2 Se2\n1.0\n2.144740 -6.006044 0.000000\n2.144740 6.006044 0.000000\n0.000000 0.000000 4.300997\nSn Se\n2 2\ndirect\n0.127194 0.872806 0.750000 Sn\n0.872806 0.127194 0.250000 Sn\n0.355413 0.644587 0.750000 Se\n0.644587 0.355413 0.250000 Se\n",
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{
"id": "mp-1200862",
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"structure_string": "B6 H24 N2\n1.0\n-3.832364 -4.135375 0.000000\n-3.832364 4.135375 0.000000\n0.000000 0.000000 -8.685361\nB H N\n6 24 2\ndirect\n0.104176 0.895824 0.250000 B\n0.895824 0.104176 0.750000 B\n0.289206 0.710794 0.146512 B\n0.710794 0.289206 0.853488 B\n0.289206 0.710794 0.353488 B\n0.710794 0.289206 0.646512 B\n0.860316 0.358379 0.250000 H\n0.358379 0.860316 0.750000 H\n0.139684 0.641621 0.750000 H\n0.641621 0.139684 0.250000 H\n0.606295 0.393705 0.153106 H\n0.393705 0.606295 0.846894 H\n0.606295 0.393705 0.346894 H\n0.393705 0.606295 0.653106 H\n0.211755 0.519005 0.096680 H\n0.519005 0.211755 0.903320 H\n0.211755 0.519005 0.403320 H\n0.519005 0.211755 0.596680 H\n0.788245 0.480995 0.903320 H\n0.480995 0.788245 0.096680 H\n0.788245 0.480995 0.596680 H\n0.480995 0.788245 0.403320 H\n0.148854 0.851146 0.087998 H\n0.851146 0.148854 0.912002 H\n0.148854 0.851146 0.412002 H\n0.851146 0.148854 0.587998 H\n0.892666 0.840413 0.250000 H\n0.840413 0.892666 0.750000 H\n0.107334 0.159587 0.750000 H\n0.159587 0.107334 0.250000 H\n0.678106 0.321894 0.250000 N\n0.321894 0.678106 0.750000 N\n",
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"formula_full": "B6 H24 N2",
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{
"id": "mp-568392",
"created_at": "2022-09-04T14:44:55.188854Z",
"structure_string": "Ag40 Te16 Br12\n1.0\n7.818473 -8.000252 0.000000\n7.818473 8.000252 0.000000\n0.000000 0.000000 13.955313\nAg Te Br\n40 16 12\ndirect\n0.832111 0.360648 0.100182 Ag\n0.374421 0.625579 0.250000 Ag\n0.848615 0.370834 0.634551 Ag\n0.848615 0.370834 0.865449 Ag\n0.398530 0.325217 0.644880 Ag\n0.325217 0.398530 0.144880 Ag\n0.937353 0.877800 0.750000 Ag\n0.167889 0.639352 0.899818 Ag\n0.639352 0.167889 0.399818 Ag\n0.858768 0.141232 0.750000 Ag\n0.360648 0.832111 0.600182 Ag\n0.179777 0.018175 0.073829 Ag\n0.981825 0.820223 0.426171 Ag\n0.398530 0.325217 0.855120 Ag\n0.360648 0.832111 0.899818 Ag\n0.151385 0.629166 0.134551 Ag\n0.625579 0.374421 0.750000 Ag\n0.820223 0.981825 0.573829 Ag\n0.122200 0.062647 0.750000 Ag\n0.141232 0.858768 0.250000 Ag\n0.370834 0.848615 0.365449 Ag\n0.018175 0.179777 0.573829 Ag\n0.629166 0.151385 0.865449 Ag\n0.981825 0.820223 0.073829 Ag\n0.877800 0.937353 0.250000 Ag\n0.370834 0.848615 0.134551 Ag\n0.601470 0.674783 0.355120 Ag\n0.151385 0.629166 0.365449 Ag\n0.325217 0.398530 0.355120 Ag\n0.167889 0.639352 0.600182 Ag\n0.179777 0.018175 0.426171 Ag\n0.629166 0.151385 0.634551 Ag\n0.820223 0.981825 0.926171 Ag\n0.674783 0.601470 0.644880 Ag\n0.639352 0.167889 0.100182 Ag\n0.062647 0.122200 0.250000 Ag\n0.674783 0.601470 0.855120 Ag\n0.018175 0.179777 0.926171 Ag\n0.832111 0.360648 0.399818 Ag\n0.601470 0.674783 0.144880 Ag\n0.690556 0.951746 0.750000 Te\n0.291731 0.524442 0.750000 Te\n0.379630 0.620370 0.450605 Te\n0.886482 0.113518 0.409855 Te\n0.951746 0.690556 0.250000 Te\n0.048254 0.309444 0.750000 Te\n0.475558 0.708269 0.750000 Te\n0.309444 0.048254 0.250000 Te\n0.620370 0.379630 0.549395 Te\n0.524442 0.291731 0.250000 Te\n0.886482 0.113518 0.090145 Te\n0.379630 0.620370 0.049395 Te\n0.113518 0.886482 0.909855 Te\n0.113518 0.886482 0.590145 Te\n0.620370 0.379630 0.950605 Te\n0.708269 0.475558 0.250000 Te\n0.249583 0.249583 0.500000 Br\n0.890998 0.635828 0.750000 Br\n0.249583 0.249583 0.000000 Br\n0.750417 0.750417 0.500000 Br\n0.109002 0.364172 0.250000 Br\n0.000000 0.500000 0.500000 Br\n0.750417 0.750417 0.000000 Br\n0.364172 0.109002 0.750000 Br\n0.000000 0.500000 0.000000 Br\n0.635828 0.890998 0.250000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n",
"nsites": 68,
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"formula_full": "Ag40 Te16 Br12",
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{
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