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{
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{
"id": "mp-1114014",
"created_at": "2022-09-04T14:39:43.143590Z",
"structure_string": "Rb2 Na1 Sm1 Cl6\n1.0\n0.000000 5.456087 5.456087\n5.456087 0.000000 5.456087\n5.456087 5.456087 0.000000\nRb Na Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sm\n0.753274 0.246726 0.246726 Cl\n0.246726 0.246726 0.753274 Cl\n0.246726 0.753274 0.753274 Cl\n0.246726 0.753274 0.246726 Cl\n0.753274 0.246726 0.753274 Cl\n0.753274 0.753274 0.246726 Cl\n",
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{
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"structure_string": "Na6 Mn4 P4 C4 O28\n1.0\n8.421091 0.000000 0.000000\n-1.959695 8.194009 0.000000\n-0.338636 -0.101553 9.009818\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.347773 0.385277 0.755110 Na\n0.628543 0.116468 0.758886 Na\n0.875009 0.871512 0.764433 Na\n0.652227 0.614723 0.244890 Na\n0.371457 0.883532 0.241114 Na\n0.124991 0.128488 0.235567 Na\n0.268522 0.010770 0.656142 Mn\n0.770750 0.515544 0.648510 Mn\n0.229250 0.484456 0.351490 Mn\n0.731478 0.989230 0.343858 Mn\n0.493614 0.728977 0.569996 P\n0.978502 0.238361 0.574413 P\n0.506386 0.271023 0.430004 P\n0.021498 0.761639 0.425587 P\n0.738360 0.489377 0.917522 C\n0.242046 0.990870 0.924121 C\n0.261640 0.510623 0.082478 C\n0.757954 0.009130 0.075879 C\n0.281781 0.524017 0.948495 O\n0.771154 0.013551 0.938521 O\n0.357288 0.097534 0.856875 O\n0.852822 0.597558 0.853434 O\n0.643430 0.393679 0.814222 O\n0.145398 0.893249 0.828322 O\n0.626554 0.667744 0.665077 O\n0.102846 0.182886 0.678394 O\n0.444264 0.858618 0.665084 O\n0.904573 0.360084 0.663372 O\n0.346898 0.579697 0.533852 O\n0.437714 0.201271 0.580218 O\n0.944575 0.688795 0.571352 O\n0.835753 0.086410 0.532324 O\n0.653102 0.420303 0.466148 O\n0.562286 0.798729 0.419782 O\n0.055425 0.311205 0.428648 O\n0.164247 0.913590 0.467676 O\n0.555736 0.141382 0.334916 O\n0.373446 0.332256 0.334923 O\n0.095427 0.639916 0.336628 O\n0.897154 0.817114 0.321606 O\n0.356570 0.606321 0.185778 O\n0.854602 0.106751 0.171678 O\n0.642712 0.902466 0.143125 O\n0.147178 0.402442 0.146566 O\n0.718219 0.475983 0.051505 O\n0.228846 0.986449 0.061479 O\n",
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"formula_full": "Na6 Mn4 P4 C4 O28",
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"spacegroup": 2
},
{
"id": "mp-1189250",
"created_at": "2022-09-04T14:39:38.023203Z",
"structure_string": "Cs2 Nd2 Cl8 O8\n1.0\n7.348410 0.000000 0.000000\n0.000000 8.687894 0.000000\n0.000000 0.000000 8.976886\nCs Nd Cl O\n2 2 8 8\ndirect\n0.000000 0.391471 0.500000 Cs\n0.500000 0.608529 0.000000 Cs\n0.500000 0.894770 0.500000 Nd\n0.000000 0.105230 0.000000 Nd\n0.674848 0.069348 0.190010 Cl\n0.325152 0.069348 0.809990 Cl\n0.825152 0.930652 0.690010 Cl\n0.174848 0.930652 0.309990 Cl\n0.654802 0.660504 0.347077 Cl\n0.345198 0.660504 0.652923 Cl\n0.845198 0.339496 0.847077 Cl\n0.154802 0.339496 0.152923 Cl\n0.709068 0.053293 0.373235 O\n0.290932 0.053293 0.626765 O\n0.790932 0.946707 0.873235 O\n0.209068 0.946707 0.126765 O\n0.549788 0.314520 0.555163 O\n0.450212 0.314520 0.444837 O\n0.950212 0.685480 0.055163 O\n0.049788 0.685480 0.944837 O\n",
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"volume": 573.1042155608287,
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"formula_full": "Cs2 Nd2 Cl8 O8",
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{
"id": "mp-568546",
"created_at": "2022-09-04T14:39:37.011812Z",
"structure_string": "In40 Br56\n1.0\n9.519638 9.521347 0.000000\n-9.519638 9.521347 0.000000\n0.000000 4.947841 19.236919\nIn Br\n40 56\ndirect\n0.304296 0.430457 0.752362 In\n0.503920 0.986386 0.863261 In\n0.927582 0.072418 0.250000 In\n0.185514 0.025972 0.413247 In\n0.496080 0.013614 0.136739 In\n0.807479 0.192521 0.750000 In\n0.261749 0.695645 0.901817 In\n0.474253 0.640162 0.085361 In\n0.814486 0.974028 0.586753 In\n0.569543 0.695704 0.747638 In\n0.974028 0.814486 0.086753 In\n0.761976 0.856125 0.900518 In\n0.695645 0.261749 0.401817 In\n0.581220 0.001976 0.365769 In\n0.738251 0.304355 0.098183 In\n0.430457 0.304296 0.252362 In\n0.143875 0.238024 0.599482 In\n0.508742 0.183494 0.637132 In\n0.001976 0.581220 0.865769 In\n0.682831 0.923704 0.134913 In\n0.192521 0.807479 0.250000 In\n0.317169 0.076296 0.865087 In\n0.816506 0.491258 0.862868 In\n0.998024 0.418780 0.134231 In\n0.072418 0.927582 0.750000 In\n0.418780 0.998024 0.634231 In\n0.525747 0.359838 0.914639 In\n0.856125 0.761976 0.400518 In\n0.923704 0.682831 0.634913 In\n0.304355 0.738251 0.598183 In\n0.183494 0.508742 0.137132 In\n0.986386 0.503920 0.363261 In\n0.359838 0.525747 0.414639 In\n0.025972 0.185514 0.913247 In\n0.013614 0.496080 0.636739 In\n0.238024 0.143875 0.099482 In\n0.695704 0.569543 0.247638 In\n0.640162 0.474253 0.585361 In\n0.076296 0.317169 0.365087 In\n0.491258 0.816506 0.362868 In\n0.700382 0.204853 0.576365 Br\n0.204853 0.700382 0.076365 Br\n0.297198 0.236834 0.925716 Br\n0.517950 0.264289 0.747118 Br\n0.945167 0.371802 0.568009 Br\n0.136041 0.644588 0.751273 Br\n0.855738 0.764550 0.744341 Br\n0.497142 0.791354 0.912825 Br\n0.764550 0.855738 0.244341 Br\n0.031515 0.838633 0.561040 Br\n0.984057 0.636644 0.247964 Br\n0.054833 0.628198 0.431991 Br\n0.236834 0.297198 0.425716 Br\n0.248103 0.005328 0.586071 Br\n0.478605 0.127683 0.433767 Br\n0.161367 0.968485 0.938960 Br\n0.005328 0.248103 0.086071 Br\n0.994672 0.751897 0.913929 Br\n0.872317 0.521395 0.066233 Br\n0.371802 0.945167 0.068009 Br\n0.521395 0.872317 0.566233 Br\n0.838633 0.031515 0.061040 Br\n0.702802 0.763166 0.074284 Br\n0.561761 0.661049 0.436962 Br\n0.144262 0.235450 0.255659 Br\n0.636644 0.984057 0.747964 Br\n0.338951 0.438239 0.063038 Br\n0.751897 0.994672 0.413929 Br\n0.415831 0.538524 0.849062 Br\n0.960072 0.083431 0.651029 Br\n0.208646 0.502858 0.587175 Br\n0.644588 0.136041 0.251273 Br\n0.584169 0.461476 0.150938 Br\n0.795147 0.299618 0.923635 Br\n0.363356 0.015943 0.252036 Br\n0.127683 0.478605 0.933767 Br\n0.461476 0.584169 0.650938 Br\n0.863959 0.355412 0.248727 Br\n0.039928 0.916569 0.348971 Br\n0.083431 0.960072 0.151029 Br\n0.628198 0.054833 0.931991 Br\n0.502858 0.208646 0.087175 Br\n0.235450 0.144262 0.755659 Br\n0.355412 0.863959 0.748727 Br\n0.438239 0.338951 0.563038 Br\n0.299618 0.795147 0.423635 Br\n0.791354 0.497142 0.412825 Br\n0.763166 0.702802 0.574284 Br\n0.015943 0.363356 0.752036 Br\n0.968485 0.161367 0.438960 Br\n0.482050 0.735711 0.252882 Br\n0.661049 0.561761 0.936962 Br\n0.916569 0.039928 0.848971 Br\n0.538524 0.415831 0.349062 Br\n0.735711 0.482050 0.752882 Br\n0.264289 0.517950 0.247118 Br\n",
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"elements": [
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"density": 4.317624316157118,
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"formula_full": "In40 Br56",
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{
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"structure_string": "Mo2 W2 Se6 S2\n1.0\n1.643246 -2.846186 0.000000\n1.643246 2.846186 0.000000\n0.000000 0.000000 37.353911\nMo W Se S\n2 2 6 2\ndirect\n0.000000 0.000000 0.093912 Mo\n0.333333 0.666667 0.281801 Mo\n0.000000 0.000000 0.469655 W\n0.333333 0.666667 0.657535 W\n0.000000 0.000000 0.326938 Se\n0.000000 0.000000 0.702959 Se\n0.333333 0.666667 0.048781 Se\n0.333333 0.666667 0.139055 Se\n0.000000 0.000000 0.236671 Se\n0.000000 0.000000 0.612113 Se\n0.333333 0.666667 0.428402 S\n0.333333 0.666667 0.510924 S\n",
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"formula_full": "Mo2 W2 Se6 S2",
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{
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"created_at": "2022-09-04T14:39:35.199430Z",
"structure_string": "K4 Al4 Si6 O20\n1.0\n0.000000 8.647621 9.275398\n3.327013 0.000000 9.275398\n3.327013 8.647621 0.000000\nK Al Si O\n4 4 6 20\ndirect\n0.967506 0.157633 0.614810 K\n0.260052 0.614810 0.157633 K\n0.635190 0.989948 0.282494 K\n0.092367 0.282494 0.989948 K\n0.573849 0.730526 0.996575 Al\n0.699050 0.996575 0.730526 Al\n0.253425 0.550950 0.676151 Al\n0.519474 0.676151 0.550950 Al\n0.255189 0.244811 0.244811 Si\n0.005189 0.994811 0.994811 Si\n0.551797 0.504831 0.236794 Si\n0.706579 0.236794 0.504831 Si\n0.013206 0.543421 0.698203 Si\n0.745169 0.698203 0.543421 Si\n0.343803 0.017659 0.213055 O\n0.425483 0.213055 0.017659 O\n0.036945 0.824517 0.906197 O\n0.232341 0.906197 0.824517 O\n0.507736 0.608579 0.102390 O\n0.781295 0.102390 0.608579 O\n0.147610 0.468705 0.742264 O\n0.641421 0.742264 0.468705 O\n0.835865 0.559373 0.875815 O\n0.728946 0.875815 0.559373 O\n0.374185 0.521054 0.414135 O\n0.690627 0.414135 0.521054 O\n0.529973 0.640167 0.360042 O\n0.469818 0.360042 0.640167 O\n0.889958 0.780182 0.720027 O\n0.609833 0.720027 0.780182 O\n0.816633 0.234270 0.035971 O\n0.913127 0.035971 0.234270 O\n0.214029 0.336873 0.433367 O\n0.015730 0.433367 0.336873 O\n",
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{
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"structure_string": "Ba4 Ca4 I16\n1.0\n9.926233 0.000000 0.000000\n0.000000 11.080957 0.000000\n0.000000 0.000000 11.082909\nBa Ca I\n4 4 16\ndirect\n0.246946 0.250000 0.250334 Ba\n0.253054 0.750000 0.750334 Ba\n0.746946 0.250000 0.249666 Ba\n0.753054 0.750000 0.749666 Ba\n0.008644 0.250000 0.751185 Ca\n0.491356 0.750000 0.251185 Ca\n0.508644 0.250000 0.748815 Ca\n0.991356 0.750000 0.248815 Ca\n0.002916 0.965172 0.761042 I\n0.002916 0.534828 0.761042 I\n0.238561 0.750000 0.434079 I\n0.254236 0.250000 0.565180 I\n0.245764 0.750000 0.065180 I\n0.261439 0.250000 0.934079 I\n0.497084 0.465172 0.261042 I\n0.497084 0.034828 0.261042 I\n0.502916 0.965172 0.738958 I\n0.502916 0.534828 0.738958 I\n0.738561 0.750000 0.065921 I\n0.754236 0.250000 0.934820 I\n0.745764 0.750000 0.434820 I\n0.761439 0.250000 0.565921 I\n0.997084 0.465172 0.238958 I\n0.997084 0.034828 0.238958 I\n",
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{
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"structure_string": "Mg6 Fe1 C1 O8\n1.0\n8.583747 0.000000 0.000000\n0.000000 4.227721 0.000000\n0.000000 0.000000 4.227721\nMg Fe C O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.257520 0.000000 0.500000 Mg\n0.742480 0.000000 0.500000 Mg\n0.257520 0.500000 0.000000 Mg\n0.742480 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 C\n0.250536 0.000000 0.000000 O\n0.749464 0.000000 0.000000 O\n0.250541 0.500000 0.500000 O\n0.749459 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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