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{
"id": "mp-1209635",
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"structure_string": "Pr10 Sn6 Au2\n1.0\n4.819093 -8.346913 0.000000\n4.819093 8.346913 0.000000\n0.000000 0.000000 6.851352\nPr Sn Au\n10 6 2\ndirect\n0.269869 0.000000 0.750000 Pr\n0.730131 0.000000 0.250000 Pr\n0.000000 0.269869 0.750000 Pr\n0.000000 0.730131 0.250000 Pr\n0.730131 0.730131 0.750000 Pr\n0.269869 0.269869 0.250000 Pr\n0.333333 0.666667 0.500000 Pr\n0.666667 0.333333 0.500000 Pr\n0.666667 0.333333 0.000000 Pr\n0.333333 0.666667 0.000000 Pr\n0.618625 0.000000 0.750000 Sn\n0.381375 0.000000 0.250000 Sn\n0.000000 0.618625 0.750000 Sn\n0.000000 0.381375 0.250000 Sn\n0.381375 0.381375 0.750000 Sn\n0.618625 0.618625 0.250000 Sn\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"formula_full": "Ti8 Ni2 Bi4",
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"spacegroup": 140
},
{
"id": "mp-2369",
"created_at": "2022-09-04T14:39:10.467376Z",
"structure_string": "Sn4 Pd4\n1.0\n3.909425 0.000000 0.000000\n0.000000 6.336056 0.000000\n0.000000 0.000000 6.460662\nSn Pd\n4 4\ndirect\n0.750000 0.307992 0.908649 Sn\n0.750000 0.807992 0.591351 Sn\n0.250000 0.692008 0.091351 Sn\n0.250000 0.192008 0.408649 Sn\n0.750000 0.489908 0.312694 Pd\n0.750000 0.989908 0.187306 Pd\n0.250000 0.510092 0.687306 Pd\n0.250000 0.010092 0.812694 Pd\n",
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"formula_full": "Sn4 Pd4",
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"updated_at": "2021-11-28T01:34:29.409000Z",
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},
{
"id": "mp-3017",
"created_at": "2022-09-04T14:39:10.378498Z",
"structure_string": "Na12 Co2 Se8\n1.0\n4.663161 -8.076831 0.000000\n4.663161 8.076831 0.000000\n0.000000 0.000000 7.207812\nNa Co Se\n12 2 8\ndirect\n0.148348 0.851652 0.532602 Na\n0.296696 0.148348 0.032602 Na\n0.851652 0.703304 0.032602 Na\n0.148348 0.296696 0.532602 Na\n0.703304 0.851652 0.532602 Na\n0.851652 0.148348 0.032602 Na\n0.529028 0.470972 0.358862 Na\n0.058056 0.529028 0.858862 Na\n0.470972 0.941944 0.858862 Na\n0.529028 0.058056 0.358862 Na\n0.941944 0.470972 0.358862 Na\n0.470972 0.529028 0.858862 Na\n0.333333 0.666667 0.243733 Co\n0.666667 0.333333 0.743733 Co\n0.333333 0.666667 0.582808 Se\n0.666667 0.333333 0.082808 Se\n0.189369 0.810631 0.135922 Se\n0.378737 0.189369 0.635922 Se\n0.810631 0.621263 0.635922 Se\n0.189369 0.378737 0.135922 Se\n0.621263 0.810631 0.135922 Se\n0.810631 0.189369 0.635922 Se\n",
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"formula_full": "Na12 Co2 Se8",
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},
{
"id": "mp-1181683",
"created_at": "2022-09-04T14:39:10.380262Z",
"structure_string": "Ce4 Si4 Pd8\n1.0\n5.621621 0.000000 0.000000\n0.000000 6.876253 0.000000\n0.000000 0.000000 7.698924\nCe Si Pd\n4 4 8\ndirect\n0.853471 0.250000 0.533364 Ce\n0.646529 0.250000 0.033364 Ce\n0.146529 0.750000 0.466636 Ce\n0.353471 0.750000 0.966636 Ce\n0.153845 0.250000 0.877934 Si\n0.346155 0.250000 0.377934 Si\n0.846155 0.750000 0.122066 Si\n0.653845 0.750000 0.622066 Si\n0.406254 0.050007 0.675491 Pd\n0.093746 0.449993 0.175491 Pd\n0.593746 0.550007 0.324509 Pd\n0.906254 0.949993 0.824509 Pd\n0.593746 0.949993 0.324509 Pd\n0.906254 0.550007 0.824509 Pd\n0.406254 0.449993 0.675491 Pd\n0.093746 0.050007 0.175491 Pd\n",
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"density": 8.504287311815597,
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"volume": 297.60720612849576,
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"formula_full": "Ce4 Si4 Pd8",
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{
"id": "mp-1208133",
"created_at": "2022-09-04T14:39:10.382482Z",
"structure_string": "Yb6 N8 O33\n1.0\n9.338219 0.000000 0.000000\n-1.165396 9.547063 0.000000\n-3.502569 -4.651957 8.138070\nYb N O\n6 8 33\ndirect\n0.872305 0.786296 0.648217 Yb\n0.127695 0.213704 0.351783 Yb\n0.785492 0.385416 0.153784 Yb\n0.214508 0.614584 0.846216 Yb\n0.786697 0.343829 0.535814 Yb\n0.213303 0.656171 0.464186 Yb\n0.740177 0.509784 0.871388 N\n0.259823 0.490216 0.128612 N\n0.887754 0.089008 0.669703 N\n0.112246 0.910992 0.330297 N\n0.539083 0.820040 0.669873 N\n0.460917 0.179960 0.330127 N\n0.451654 0.220246 0.915912 N\n0.548346 0.779754 0.084088 N\n0.731670 0.559678 0.373534 O\n0.268330 0.440322 0.626466 O\n0.897374 0.229053 0.690366 O\n0.102626 0.770947 0.309634 O\n0.311217 0.149825 0.810568 O\n0.688783 0.850175 0.189432 O\n0.677444 0.388812 0.726867 O\n0.322556 0.611188 0.273133 O\n0.949141 0.609512 0.737086 O\n0.050859 0.390488 0.262914 O\n0.110976 0.706289 0.656024 O\n0.889024 0.293711 0.343976 O\n0.782056 0.966331 0.539111 O\n0.217944 0.033669 0.460889 O\n0.530876 0.160727 0.999422 O\n0.469124 0.839273 0.000578 O\n0.848258 0.651875 0.371657 O\n0.151742 0.348125 0.628343 O\n0.721956 0.641592 0.891826 O\n0.278044 0.358408 0.108174 O\n0.013896 0.929594 0.218295 O\n0.986104 0.070406 0.781705 O\n0.000000 0.500000 0.500000 O\n0.822184 0.492661 0.990845 O\n0.177816 0.507339 0.009155 O\n0.485064 0.666646 0.599183 O\n0.514936 0.333354 0.400817 O\n0.689287 0.891847 0.746138 O\n0.310713 0.108153 0.253862 O\n0.527752 0.358954 0.949155 O\n0.472248 0.641046 0.050845 O\n0.439489 0.897576 0.660020 O\n0.560511 0.102424 0.339980 O\n",
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{
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"structure_string": "La8 P16 O52\n1.0\n10.172245 0.000000 0.000000\n0.000000 9.221259 0.000000\n0.000000 4.086092 13.892901\nLa P O\n8 16 52\ndirect\n0.998738 0.722075 0.993832 La\n0.994110 0.778479 0.514671 La\n0.501262 0.722075 0.493832 La\n0.505890 0.778479 0.014671 La\n0.494110 0.221521 0.985329 La\n0.498738 0.277925 0.506168 La\n0.005890 0.221521 0.485329 La\n0.001262 0.277925 0.006168 La\n0.723970 0.972683 0.597248 P\n0.753606 0.897463 0.811067 P\n0.266417 0.771566 0.688813 P\n0.776030 0.972683 0.097248 P\n0.746394 0.897463 0.311067 P\n0.278102 0.544514 0.899101 P\n0.233583 0.771566 0.188813 P\n0.778102 0.455486 0.600899 P\n0.221898 0.544514 0.399101 P\n0.766417 0.228434 0.811187 P\n0.721898 0.455486 0.100899 P\n0.253606 0.102537 0.688933 P\n0.223970 0.027317 0.902752 P\n0.733583 0.228434 0.311187 P\n0.246394 0.102537 0.188933 P\n0.276030 0.027317 0.402752 P\n0.299535 0.927460 0.714253 O\n0.161951 0.876996 0.903329 O\n0.868798 0.987494 0.563259 O\n0.629623 0.870631 0.869726 O\n0.725126 0.870463 0.709103 O\n0.643318 0.882685 0.544375 O\n0.869295 0.798819 0.853291 O\n0.200465 0.927460 0.214253 O\n0.338049 0.876996 0.403329 O\n0.631202 0.987494 0.063259 O\n0.363788 0.626967 0.954412 O\n0.130516 0.776245 0.647655 O\n0.870377 0.870631 0.369726 O\n0.774874 0.870463 0.209103 O\n0.377249 0.739956 0.628330 O\n0.270640 0.647347 0.788868 O\n0.856682 0.882685 0.044375 O\n0.838947 0.604456 0.604819 O\n0.134023 0.524063 0.936645 O\n0.630705 0.798819 0.353291 O\n0.136212 0.626967 0.454412 O\n0.369484 0.776245 0.147655 O\n0.122751 0.739956 0.128330 O\n0.229360 0.647347 0.288868 O\n0.634023 0.475937 0.563355 O\n0.338947 0.395544 0.895181 O\n0.661053 0.604456 0.104819 O\n0.365977 0.524063 0.436645 O\n0.770640 0.352653 0.711132 O\n0.877249 0.260044 0.871670 O\n0.630516 0.223755 0.852345 O\n0.863788 0.373033 0.545588 O\n0.369295 0.201181 0.646709 O\n0.865977 0.475937 0.063355 O\n0.161053 0.395544 0.395181 O\n0.143318 0.117315 0.955625 O\n0.729360 0.352653 0.211132 O\n0.622751 0.260044 0.371670 O\n0.225126 0.129537 0.790897 O\n0.129623 0.129369 0.630274 O\n0.869484 0.223755 0.352345 O\n0.636212 0.373033 0.045588 O\n0.368798 0.012506 0.936741 O\n0.661951 0.123004 0.596671 O\n0.799535 0.072540 0.785747 O\n0.130705 0.201181 0.146709 O\n0.356682 0.117315 0.455625 O\n0.274874 0.129537 0.290897 O\n0.370377 0.129369 0.130274 O\n0.131202 0.012506 0.436741 O\n0.838049 0.123004 0.096671 O\n0.700465 0.072540 0.285747 O\n",
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{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.457888 0.000000 0.000000\n-0.052441 8.867443 0.000000\n-0.365387 -0.152056 12.427692\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.003721 0.002231 0.999049 Li\n0.000133 0.897063 0.750626 Li\n0.000799 0.000042 0.500442 Li\n0.006911 0.103805 0.249232 Li\n0.290188 0.194473 0.952835 Li\n0.294223 0.807234 0.450504 Li\n0.498247 0.498560 0.000678 Li\n0.497385 0.602269 0.747308 Li\n0.503048 0.503647 0.500512 Li\n0.502828 0.398384 0.249589 Li\n0.708987 0.194376 0.552624 Li\n0.707462 0.804267 0.049048 Li\n0.210128 0.498172 0.852719 Mn\n0.288684 0.992524 0.142770 Mn\n0.789276 0.499434 0.645426 Mn\n0.790802 0.502429 0.147270 Mn\n0.214381 0.499601 0.356032 V\n0.284116 0.003548 0.640974 V\n0.715281 0.002693 0.858009 V\n0.716507 0.998291 0.359236 V\n0.999177 0.199856 0.750979 P\n0.004853 0.799136 0.249945 P\n0.155267 0.646088 0.603247 P\n0.152288 0.355523 0.106343 P\n0.347978 0.851998 0.894875 P\n0.348932 0.148808 0.397000 P\n0.500152 0.293938 0.750603 P\n0.505066 0.704594 0.250551 P\n0.647055 0.853903 0.602108 P\n0.646847 0.145170 0.105021 P\n0.846535 0.643974 0.893188 P\n0.842844 0.354909 0.397265 P\n0.017712 0.588673 0.893976 O\n0.012665 0.410890 0.395183 O\n0.070767 0.088195 0.666604 O\n0.078526 0.907445 0.164565 O\n0.125624 0.295655 0.812767 O\n0.127161 0.702881 0.309952 O\n0.143725 0.821785 0.588182 O\n0.135808 0.179693 0.093279 O\n0.252972 0.599315 0.702614 O\n0.249146 0.938573 0.979432 O\n0.250116 0.591698 0.504099 O\n0.242696 0.404170 0.211287 O\n0.251037 0.064635 0.482788 O\n0.276027 0.902583 0.785648 O\n0.254606 0.408105 0.012600 O\n0.272026 0.096978 0.288692 O\n0.347003 0.676881 0.906103 O\n0.348014 0.323561 0.410765 O\n0.381419 0.198244 0.685525 O\n0.387868 0.795704 0.182769 O\n0.423346 0.402949 0.835595 O\n0.431690 0.597032 0.334400 O\n0.471143 0.901237 0.589142 O\n0.467405 0.103697 0.092591 O\n0.526294 0.892466 0.908443 O\n0.526491 0.108179 0.408625 O\n0.576544 0.399931 0.665736 O\n0.582577 0.596654 0.164891 O\n0.615136 0.197817 0.816168 O\n0.619810 0.804994 0.315244 O\n0.641755 0.681332 0.588712 O\n0.646533 0.318841 0.092831 O\n0.722670 0.904633 0.712029 O\n0.746272 0.590895 0.988233 O\n0.721449 0.093631 0.212866 O\n0.747866 0.939507 0.518405 O\n0.754940 0.595424 0.788724 O\n0.747473 0.410328 0.496059 O\n0.743731 0.059849 0.018383 O\n0.746963 0.401413 0.296337 O\n0.858006 0.820595 0.906084 O\n0.854097 0.179331 0.411262 O\n0.873409 0.287236 0.688723 O\n0.876447 0.710762 0.185394 O\n0.932959 0.090521 0.837570 O\n0.935403 0.910962 0.334650 O\n0.983481 0.590336 0.604980 O\n0.981093 0.412845 0.105089 O\n",
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"elements": [
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],
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"density_atomic": 0.08583001139064349,
"volume": 932.0749083428524,
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"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
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"updated_at": "2021-11-28T01:34:44.841000Z",
"spacegroup": 1
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{
"id": "mp-25219",
"created_at": "2022-09-04T14:39:10.409668Z",
"structure_string": "K8 Li8 Fe4 O16\n1.0\n9.103772 0.000000 0.000000\n0.000000 5.542339 0.000000\n0.000000 3.971809 10.492408\nK Li Fe O\n8 8 4 16\ndirect\n0.748470 0.233201 0.132740 K\n0.500613 0.290976 0.357468 K\n0.751530 0.233201 0.632740 K\n0.000613 0.709024 0.142532 K\n0.999387 0.290976 0.857468 K\n0.248470 0.766799 0.367260 K\n0.499387 0.709024 0.642532 K\n0.251530 0.766799 0.867260 K\n0.486690 0.640204 0.073754 Li\n0.246605 0.379887 0.195688 Li\n0.986690 0.359796 0.426246 Li\n0.746605 0.620113 0.304312 Li\n0.253395 0.379887 0.695688 Li\n0.013310 0.640204 0.573754 Li\n0.513310 0.359796 0.926246 Li\n0.753395 0.620113 0.804312 Li\n0.292520 0.109434 0.053726 Fe\n0.207480 0.109434 0.553726 Fe\n0.792520 0.890566 0.446274 Fe\n0.707480 0.890566 0.946274 Fe\n0.309211 0.262652 0.876907 O\n0.704947 0.245486 0.878874 O\n0.932451 0.719864 0.382918 O\n0.621192 0.790074 0.402114 O\n0.690789 0.737348 0.123093 O\n0.295053 0.754514 0.121126 O\n0.067549 0.280136 0.617082 O\n0.378808 0.209926 0.597886 O\n0.795053 0.245486 0.378874 O\n0.190789 0.262652 0.376907 O\n0.121192 0.209926 0.097886 O\n0.432451 0.280136 0.117082 O\n0.878808 0.790074 0.902114 O\n0.567549 0.719864 0.882918 O\n0.809211 0.737348 0.623093 O\n0.204947 0.754514 0.621126 O\n",
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"formula_full": "K8 Li8 Fe4 O16",
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"spacegroup": 14
},
{
"id": "mp-760044",
"created_at": "2022-09-04T14:39:10.410863Z",
"structure_string": "Na2 Li2 Mn2 P2 C2 O14\n1.0\n0.173352 0.000168 5.305916\n-0.000131 6.374331 0.000209\n-8.900867 0.000184 0.072461\nNa Li Mn P C O\n2 2 2 2 2 14\ndirect\n0.226892 0.470464 0.761387 Na\n0.773139 0.970453 0.238592 Na\n0.232133 0.940648 0.813367 Li\n0.767844 0.440632 0.186607 Li\n0.774193 0.768682 0.644707 Mn\n0.225661 0.268806 0.355298 Mn\n0.703801 0.266831 0.564107 P\n0.296175 0.766866 0.435858 P\n0.721172 0.734587 0.931218 C\n0.278835 0.234579 0.068851 C\n0.263986 0.200466 0.929248 O\n0.929885 0.758249 0.852002 O\n0.514869 0.746660 0.851141 O\n0.785562 0.074277 0.659551 O\n0.788385 0.459134 0.659346 O\n0.180104 0.768892 0.592767 O\n0.407279 0.270898 0.547003 O\n0.592684 0.770925 0.452950 O\n0.819885 0.268904 0.407243 O\n0.211630 0.959211 0.340648 O\n0.214418 0.574349 0.340423 O\n0.485197 0.246637 0.148937 O\n0.070158 0.258280 0.147976 O\n0.736102 0.700554 0.070770 O\n",
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],
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"formula_full": "Na2 Li2 Mn2 P2 C2 O14",
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{
"id": "mp-1223184",
"created_at": "2022-09-04T14:39:10.418699Z",
"structure_string": "La12 Se16 Cl4\n1.0\n8.008470 0.000000 0.000000\n0.000000 8.600451 0.000000\n0.000000 0.000000 12.829345\nLa Se Cl\n12 16 4\ndirect\n0.420037 0.251553 0.510014 La\n0.079963 0.251553 0.010014 La\n0.579963 0.751553 0.489986 La\n0.920037 0.751553 0.989986 La\n0.473184 0.999155 0.818720 La\n0.014970 0.498491 0.324974 La\n0.526816 0.499155 0.181280 La\n0.985030 0.998491 0.675026 La\n0.514970 0.998491 0.175026 La\n0.973184 0.499155 0.681280 La\n0.485030 0.498491 0.824974 La\n0.026816 0.999155 0.318720 La\n0.199692 0.252172 0.781112 Se\n0.300308 0.252172 0.281112 Se\n0.800308 0.752172 0.218888 Se\n0.699692 0.752172 0.718888 Se\n0.035398 0.253288 0.500823 Se\n0.464602 0.253288 0.000823 Se\n0.964602 0.753288 0.499177 Se\n0.535398 0.753288 0.999177 Se\n0.673526 0.249463 0.688365 Se\n0.826474 0.249463 0.188365 Se\n0.326474 0.749463 0.311635 Se\n0.173526 0.749463 0.811635 Se\n0.837295 0.453992 0.900431 Se\n0.162705 0.953992 0.099569 Se\n0.337295 0.953992 0.599569 Se\n0.662705 0.453992 0.400431 Se\n0.660553 0.041886 0.397750 Cl\n0.339447 0.541886 0.602250 Cl\n0.160553 0.541886 0.102250 Cl\n0.839447 0.041886 0.897750 Cl\n",
"nsites": 32,
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"elements": [
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],
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"density": 5.772984175296298,
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"formula_full": "La12 Se16 Cl4",
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{
"id": "mp-677611",
"created_at": "2022-09-04T14:39:05.822181Z",
"structure_string": "Tl2 Ag2 As4 Pb2 S10\n1.0\n8.099882 0.000000 0.000000\n3.404295 7.482222 0.000000\n2.315271 3.268421 8.372890\nTl Ag As Pb S\n2 2 4 2 10\ndirect\n0.695872 0.853830 0.864232 Tl\n0.304128 0.146170 0.135768 Tl\n0.890253 0.244012 0.912744 Ag\n0.109747 0.755988 0.087256 Ag\n0.889317 0.954551 0.372885 As\n0.550715 0.383363 0.191519 As\n0.449285 0.616637 0.808481 As\n0.110683 0.045449 0.627115 As\n0.751363 0.540540 0.407252 Pb\n0.248637 0.459460 0.592748 Pb\n0.816601 0.434703 0.091709 S\n0.869125 0.691581 0.589478 S\n0.787801 0.919720 0.183233 S\n0.631895 0.177874 0.450979 S\n0.378147 0.651115 0.247384 S\n0.621853 0.348885 0.752616 S\n0.368105 0.822126 0.549021 S\n0.212199 0.080280 0.816767 S\n0.130875 0.308419 0.410522 S\n0.183399 0.565297 0.908291 S\n",
"nsites": 20,
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],
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"formula_full": "Tl2 Ag2 As4 Pb2 S10",
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}
]
}