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{
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{
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{
"id": "mp-1210900",
"created_at": "2022-09-04T14:42:26.144993Z",
"structure_string": "Na2 Ti3 Mn1 Si4 O22\n1.0\n5.344035 -0.020307 0.851467\n-0.036421 7.103271 0.673338\n-0.292385 -0.075038 11.732385\nNa Ti Mn Si O\n2 3 1 4 22\ndirect\n0.323739 0.750377 0.289389 Na\n0.813855 0.509787 0.268558 Na\n0.745236 0.815006 0.024421 Ti\n0.387542 0.972618 0.578844 Ti\n0.344244 0.223749 0.284593 Ti\n0.801478 0.016963 0.280444 Mn\n0.905198 0.250727 0.508459 Si\n0.894472 0.709664 0.504187 Si\n0.252110 0.508169 0.052607 Si\n0.216002 0.088729 0.037404 Si\n0.635708 0.780106 0.573738 O\n0.148503 0.060344 0.182026 O\n0.465158 0.396472 0.755330 O\n0.478967 0.986453 0.999363 O\n0.644613 0.159061 0.572998 O\n0.922099 0.792517 0.367442 O\n0.142341 0.168096 0.569431 O\n0.642497 0.345377 0.804001 O\n0.221770 0.454846 0.194108 O\n0.705647 0.838429 0.185081 O\n0.805573 0.819002 0.842360 O\n0.513488 0.617683 0.012108 O\n0.401525 0.436157 0.359906 O\n0.655169 0.214671 0.197633 O\n0.140833 0.786353 0.552947 O\n0.889068 0.480001 0.505160 O\n0.989603 0.007849 0.978134 O\n0.960451 0.193720 0.372349 O\n0.312005 0.933963 0.738858 O\n0.479932 0.019679 0.375506 O\n0.249433 0.311300 0.992166 O\n0.008739 0.631131 0.028448 O\n",
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"formula_full": "Na2 Ti3 Mn1 Si4 O22",
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{
"id": "mp-1516643",
"created_at": "2022-09-04T14:42:26.156589Z",
"structure_string": "Ba1 Ca1 Eu1 Bi1 O6\n1.0\n-0.000000 -4.355523 -4.355523\n4.355523 0.000000 -4.355523\n4.355523 -4.355523 -0.000000\nBa Ca Eu Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Eu\n-0.000000 -0.000000 -0.000000 Bi\n0.757535 0.242465 0.242465 O\n0.242465 0.757535 0.757535 O\n0.757535 0.242465 0.757535 O\n0.242465 0.757535 0.242465 O\n0.757535 0.757535 0.242465 O\n0.242465 0.242465 0.757535 O\n",
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"formula_full": "Ba1 Ca1 Eu1 Bi1 O6",
"formula_reduced": "BaCaEuBiO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 216
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{
"id": "mp-755606",
"created_at": "2022-09-04T14:42:26.166259Z",
"structure_string": "Ti4 Cr4 O12\n1.0\n5.118034 0.000000 0.000000\n0.000000 5.393204 0.000000\n0.000000 0.000000 7.614145\nTi Cr O\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.510865 0.922380 0.750000 Cr\n0.989135 0.422380 0.750000 Cr\n0.010865 0.577620 0.250000 Cr\n0.489135 0.077620 0.250000 Cr\n0.631837 0.446095 0.250000 O\n0.696955 0.205288 0.570115 O\n0.696955 0.205288 0.929885 O\n0.803045 0.705288 0.570115 O\n0.803045 0.705288 0.929885 O\n0.868163 0.946095 0.250000 O\n0.131837 0.053905 0.750000 O\n0.196955 0.294712 0.070115 O\n0.196955 0.294712 0.429885 O\n0.303045 0.794712 0.070115 O\n0.303045 0.794712 0.429885 O\n0.368163 0.553905 0.750000 O\n",
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{
"id": "mp-28737",
"created_at": "2022-09-04T14:42:26.169011Z",
"structure_string": "K4 Cu10 Te10\n1.0\n2.067014 -8.037252 0.000000\n2.067014 8.037252 0.000000\n0.000000 0.000000 18.841915\nK Cu Te\n4 10 10\ndirect\n0.517328 0.482672 0.118049 K\n0.482672 0.517328 0.881951 K\n0.482672 0.517328 0.618049 K\n0.517328 0.482672 0.381951 K\n0.673914 0.326086 0.750000 Cu\n0.326086 0.673914 0.250000 Cu\n0.723818 0.276182 0.957051 Cu\n0.276182 0.723818 0.042949 Cu\n0.276182 0.723818 0.457051 Cu\n0.723818 0.276182 0.542949 Cu\n0.800513 0.199487 0.352927 Cu\n0.199487 0.800513 0.647073 Cu\n0.199487 0.800513 0.852927 Cu\n0.800513 0.199487 0.147073 Cu\n0.079163 0.920837 0.750000 Te\n0.920837 0.079163 0.250000 Te\n0.196884 0.803116 0.166661 Te\n0.803116 0.196884 0.833339 Te\n0.803116 0.196884 0.666661 Te\n0.196884 0.803116 0.333339 Te\n0.871667 0.128333 0.020296 Te\n0.128333 0.871667 0.979704 Te\n0.128333 0.871667 0.520296 Te\n0.871667 0.128333 0.479704 Te\n",
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{
"id": "mp-1221140",
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"structure_string": "Nb24 Fe18 Si30\n1.0\n0.000000 -4.950003 0.000000\n-12.937054 0.000000 0.000000\n0.000000 0.000000 -15.551625\nNb Fe Si\n24 18 30\ndirect\n0.500000 0.394165 0.292706 Nb\n0.000000 0.894165 0.707294 Nb\n0.500000 0.485583 0.097951 Nb\n0.000000 0.985583 0.902049 Nb\n0.000000 0.173175 0.019817 Nb\n0.500000 0.673175 0.980183 Nb\n0.500000 0.300340 0.991645 Nb\n0.000000 0.800340 0.008355 Nb\n0.500000 0.162158 0.305564 Nb\n0.000000 0.662158 0.694436 Nb\n0.500000 0.367384 0.811031 Nb\n0.000000 0.867384 0.188969 Nb\n0.000000 0.459658 0.539892 Nb\n0.500000 0.959658 0.460108 Nb\n0.000000 0.101354 0.419563 Nb\n0.500000 0.601354 0.580437 Nb\n0.500000 0.327815 0.596493 Nb\n0.000000 0.827815 0.403507 Nb\n0.000000 0.097936 0.195739 Nb\n0.500000 0.597936 0.804261 Nb\n0.000000 0.490865 0.209511 Nb\n0.500000 0.990865 0.790489 Nb\n0.000000 0.292113 0.710901 Nb\n0.500000 0.792113 0.289099 Nb\n0.250083 0.177861 0.853248 Fe\n0.749917 0.177861 0.853248 Fe\n0.249917 0.677861 0.146752 Fe\n0.750083 0.677861 0.146752 Fe\n0.250605 0.301655 0.428549 Fe\n0.749395 0.301655 0.428549 Fe\n0.249395 0.801655 0.571451 Fe\n0.750605 0.801655 0.571451 Fe\n0.246936 0.099214 0.611009 Fe\n0.753064 0.099214 0.611009 Fe\n0.253064 0.599214 0.388991 Fe\n0.746936 0.599214 0.388991 Fe\n0.000000 0.482811 0.817112 Fe\n0.500000 0.982811 0.182888 Fe\n0.253161 0.297581 0.164628 Fe\n0.746839 0.297581 0.164628 Fe\n0.246839 0.797581 0.835372 Fe\n0.753161 0.797581 0.835372 Fe\n0.000000 0.268670 0.295582 Si\n0.500000 0.768670 0.704418 Si\n0.000000 0.245371 0.548207 Si\n0.500000 0.745371 0.451793 Si\n0.000000 0.088223 0.749753 Si\n0.500000 0.588223 0.250247 Si\n0.250728 0.475483 0.689483 Si\n0.749272 0.475483 0.689483 Si\n0.249272 0.975483 0.310517 Si\n0.750728 0.975483 0.310517 Si\n0.500000 0.456327 0.459448 Si\n0.000000 0.956327 0.540552 Si\n0.500000 0.189274 0.723005 Si\n0.000000 0.689274 0.276995 Si\n0.500000 0.089528 0.951783 Si\n0.000000 0.589528 0.048217 Si\n0.500000 0.153418 0.124779 Si\n0.000000 0.653418 0.875221 Si\n0.500000 0.162659 0.484745 Si\n0.000000 0.662659 0.515255 Si\n0.000000 0.440670 0.371056 Si\n0.500000 0.940670 0.628944 Si\n0.000000 0.321276 0.888016 Si\n0.500000 0.821276 0.111984 Si\n0.000000 0.380039 0.060426 Si\n0.500000 0.880039 0.939574 Si\n0.267314 0.486749 0.935487 Si\n0.732686 0.486749 0.935487 Si\n0.232686 0.986749 0.064513 Si\n0.767314 0.986749 0.064513 Si\n",
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{
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"structure_string": "Na12 Fe4 As2 C8 O32\n1.0\n0.000000 7.159862 7.159862\n7.159862 0.000000 7.159862\n7.159862 7.159862 0.000000\nNa Fe As C O\n12 4 2 8 32\ndirect\n0.539699 0.960301 0.960301 Na\n0.289699 0.289699 0.710301 Na\n0.960301 0.539699 0.960301 Na\n0.539699 0.960301 0.539699 Na\n0.710301 0.710301 0.289699 Na\n0.289699 0.710301 0.710301 Na\n0.539699 0.539699 0.960301 Na\n0.960301 0.539699 0.539699 Na\n0.710301 0.289699 0.710301 Na\n0.289699 0.710301 0.289699 Na\n0.960301 0.960301 0.539699 Na\n0.710301 0.289699 0.289699 Na\n0.125000 0.625000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.125000 0.125000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.750000 0.750000 0.750000 As\n0.500000 0.500000 0.500000 As\n0.340285 0.979144 0.340285 C\n0.340285 0.340285 0.979144 C\n0.979144 0.340285 0.340285 C\n0.340285 0.340285 0.340285 C\n0.909715 0.909715 0.909715 C\n0.270856 0.909715 0.909715 C\n0.909715 0.909715 0.270856 C\n0.909715 0.270856 0.909715 C\n0.273236 0.022507 0.769013 O\n0.022507 0.273236 0.935244 O\n0.480987 0.976764 0.227493 O\n0.314756 0.227493 0.976764 O\n0.314756 0.976764 0.480987 O\n0.680308 0.680308 0.680308 O\n0.976764 0.314756 0.227493 O\n0.959077 0.680308 0.680308 O\n0.680308 0.680308 0.959077 O\n0.480987 0.314756 0.976764 O\n0.227493 0.480987 0.976764 O\n0.680308 0.959077 0.680308 O\n0.480987 0.227493 0.314756 O\n0.976764 0.480987 0.314756 O\n0.227493 0.314756 0.480987 O\n0.935244 0.769013 0.022507 O\n0.314756 0.480987 0.227493 O\n0.022507 0.935244 0.769013 O\n0.273236 0.769013 0.935244 O\n0.769013 0.022507 0.935244 O\n0.569692 0.290923 0.569692 O\n0.022507 0.769013 0.273236 O\n0.769013 0.935244 0.273236 O\n0.569692 0.569692 0.290923 O\n0.290923 0.569692 0.569692 O\n0.273236 0.935244 0.022507 O\n0.569692 0.569692 0.569692 O\n0.935244 0.273236 0.769013 O\n0.935244 0.022507 0.273236 O\n0.769013 0.273236 0.022507 O\n0.227493 0.976764 0.314756 O\n0.976764 0.227493 0.480987 O\n",
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{
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}