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{
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"results": [
{
"id": "mp-1234529",
"created_at": "2022-09-04T14:47:33.829918Z",
"structure_string": "Mg1 Te4 Pb6 Br4 O12\n1.0\n0.000000 -5.843337 -0.000000\n-8.718721 2.921668 2.389858\n0.371681 -0.000000 -11.357899\nMg Te Pb Br O\n1 4 6 4 12\ndirect\n0.339775 -0.000000 0.500000 Mg\n0.600772 0.195315 0.051503 Te\n0.405456 0.804685 0.948497 Te\n0.849176 0.736634 0.419323 Te\n0.112541 0.263366 0.580677 Te\n0.260593 0.499110 0.207053 Pb\n0.761484 0.500890 0.792947 Pb\n0.031456 0.064515 0.199439 Pb\n0.966941 0.935485 0.800561 Pb\n0.692976 0.349976 0.399210 Pb\n0.343001 0.650024 0.600790 Pb\n0.814393 0.634743 0.105286 Br\n0.179651 0.365257 0.894714 Br\n0.490386 0.914985 0.289712 Br\n0.575402 0.085015 0.710288 Br\n0.860466 0.260102 0.184389 O\n0.397751 0.262581 0.179343 O\n0.135170 0.737419 0.820657 O\n0.600365 0.739898 0.815611 O\n0.718281 -0.000000 0.000000 O\n0.297135 -0.000000 0.000000 O\n0.814163 0.762735 0.591263 O\n0.051429 0.237265 0.408737 O\n0.011903 0.582796 0.390789 O\n0.527824 0.566255 0.387720 O\n0.961569 0.433745 0.612280 O\n0.429107 0.417204 0.609211 O\n",
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"spacegroup": 5
},
{
"id": "mp-1029522",
"created_at": "2022-09-04T14:47:41.438138Z",
"structure_string": "Li56 Sb8 N32\n1.0\n9.935714 0.000000 0.000000\n0.000000 9.935714 0.000000\n0.000000 0.000000 9.935714\nLi Sb N\n56 8 32\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.250000 Li\n0.500000 0.750000 0.000000 Li\n0.250000 0.000000 0.500000 Li\n0.500000 0.250000 0.000000 Li\n0.750000 0.000000 0.500000 Li\n0.000000 0.500000 0.750000 Li\n0.260123 0.739877 0.260123 Li\n0.739877 0.260123 0.260123 Li\n0.260123 0.260123 0.739877 Li\n0.739877 0.739877 0.739877 Li\n0.760123 0.760123 0.239877 Li\n0.239877 0.760123 0.760123 Li\n0.760123 0.239877 0.760123 Li\n0.239877 0.239877 0.239877 Li\n0.500000 0.500000 0.230563 Li\n0.500000 0.769437 0.500000 Li\n0.230563 0.500000 0.500000 Li\n0.500000 0.230563 0.500000 Li\n0.769437 0.500000 0.500000 Li\n0.500000 0.500000 0.769437 Li\n0.000000 0.730563 0.000000 Li\n0.000000 0.000000 0.269437 Li\n0.730563 0.000000 0.000000 Li\n0.000000 0.000000 0.730563 Li\n0.269437 0.000000 0.000000 Li\n0.000000 0.269437 0.000000 Li\n0.510837 0.731182 0.250579 Li\n0.268818 0.749421 0.510837 Li\n0.250579 0.489163 0.268818 Li\n0.489163 0.268818 0.250579 Li\n0.731182 0.250579 0.510837 Li\n0.749421 0.510837 0.268818 Li\n0.510837 0.268818 0.749421 Li\n0.268818 0.250579 0.489163 Li\n0.250579 0.510837 0.731182 Li\n0.489163 0.731182 0.749421 Li\n0.731182 0.749421 0.489163 Li\n0.749421 0.489163 0.731182 Li\n0.010837 0.750579 0.231182 Li\n0.768818 0.010837 0.249421 Li\n0.750579 0.768818 0.989163 Li\n0.989163 0.750579 0.768818 Li\n0.231182 0.010837 0.750579 Li\n0.249421 0.768818 0.010837 Li\n0.010837 0.249421 0.768818 Li\n0.768818 0.989163 0.750579 Li\n0.750579 0.231182 0.010837 Li\n0.989163 0.249421 0.231182 Li\n0.231182 0.989163 0.249421 Li\n0.249421 0.231182 0.989163 Li\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.250000 Sb\n0.000000 0.750000 0.500000 Sb\n0.250000 0.500000 0.000000 Sb\n0.000000 0.250000 0.500000 Sb\n0.750000 0.500000 0.000000 Sb\n0.500000 0.000000 0.750000 Sb\n0.381886 0.618114 0.381886 N\n0.618114 0.381886 0.381886 N\n0.381886 0.381886 0.618114 N\n0.618114 0.618114 0.618114 N\n0.881886 0.881886 0.118114 N\n0.118114 0.881886 0.881886 N\n0.881886 0.118114 0.881886 N\n0.118114 0.118114 0.118114 N\n0.382756 0.878384 0.133341 N\n0.121616 0.866659 0.382756 N\n0.133341 0.617244 0.121616 N\n0.617244 0.121616 0.133341 N\n0.878384 0.133341 0.382756 N\n0.866659 0.382756 0.121616 N\n0.382756 0.121616 0.866659 N\n0.121616 0.133341 0.617244 N\n0.133341 0.382756 0.878384 N\n0.617244 0.878384 0.866659 N\n0.878384 0.866659 0.617244 N\n0.866659 0.617244 0.878384 N\n0.882756 0.633341 0.378384 N\n0.621616 0.882756 0.366659 N\n0.633341 0.621616 0.117244 N\n0.117244 0.633341 0.621616 N\n0.378384 0.882756 0.633341 N\n0.366659 0.621616 0.882756 N\n0.882756 0.366659 0.621616 N\n0.621616 0.117244 0.633341 N\n0.633341 0.378384 0.882756 N\n0.117244 0.366659 0.378384 N\n0.378384 0.117244 0.366659 N\n0.366659 0.378384 0.117244 N\n",
"nsites": 96,
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"elements": [
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"Sb",
"N"
],
"chemical_system": "Li-N-Sb",
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"density_atomic": 0.09787549862207726,
"volume": 980.837915019784,
"volume_molar": 6.1528583197854765,
"formula_full": "Li56 Sb8 N32",
"formula_reduced": "Li7SbN4",
"formula_anonymous": "AB4C7",
"energy": -458.7055698,
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"updated_at": "2021-11-28T01:38:19.634000Z",
"spacegroup": 218
},
{
"id": "mp-13944",
"created_at": "2022-09-04T14:47:34.010113Z",
"structure_string": "Li24 Al8 N16\n1.0\n-4.760329 4.760329 4.760329\n4.760329 -4.760329 4.760329\n4.760329 4.760329 -4.760329\nLi Al N\n24 8 16\ndirect\n0.458720 0.223488 0.986206 Li\n0.762717 0.276512 0.735232 Li\n0.041280 0.027485 0.764768 Li\n0.472515 0.513794 0.737283 Li\n0.513794 0.737283 0.472515 Li\n0.986206 0.458720 0.223488 Li\n0.276512 0.735232 0.762717 Li\n0.764768 0.041280 0.027485 Li\n0.223488 0.986206 0.458720 Li\n0.735232 0.762717 0.276512 Li\n0.027485 0.764768 0.041280 Li\n0.737283 0.472515 0.513794 Li\n0.541280 0.776512 0.013794 Li\n0.237283 0.723488 0.264768 Li\n0.958720 0.972515 0.235232 Li\n0.527485 0.486206 0.262717 Li\n0.486206 0.262717 0.527485 Li\n0.013794 0.541280 0.776512 Li\n0.723488 0.264768 0.237283 Li\n0.262717 0.527485 0.486206 Li\n0.776512 0.013794 0.541280 Li\n0.264768 0.237283 0.723488 Li\n0.972515 0.235232 0.958720 Li\n0.235232 0.958720 0.972515 Li\n0.230216 0.230216 0.230216 Al\n0.269784 0.500000 0.000000 Al\n0.000000 0.269784 0.500000 Al\n0.500000 0.000000 0.269784 Al\n0.769784 0.769784 0.769784 Al\n0.730216 0.500000 0.000000 Al\n0.000000 0.730216 0.500000 Al\n0.500000 0.000000 0.730216 Al\n0.716062 0.250000 0.966062 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.466062 0.216062 0.250000 N\n0.283938 0.750000 0.033938 N\n0.750000 0.033938 0.283938 N\n0.216062 0.250000 0.466062 N\n0.966062 0.716062 0.250000 N\n0.750000 0.533938 0.783938 N\n0.783938 0.750000 0.533938 N\n0.250000 0.966062 0.716062 N\n0.250000 0.466062 0.216062 N\n0.533938 0.783938 0.750000 N\n0.033938 0.283938 0.750000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 48,
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"elements": [
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],
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"density_atomic": 0.11124239712532509,
"volume": 431.49016238766825,
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"formula_full": "Li24 Al8 N16",
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"updated_at": "2021-11-28T01:38:14.252000Z",
"spacegroup": 206
},
{
"id": "mp-1233895",
"created_at": "2022-09-04T14:47:55.822882Z",
"structure_string": "Rb2 Ba8 Ca1 Sb6 O2\n1.0\n8.416777 -0.319144 -3.990720\n-2.338251 8.726434 -4.208538\n-0.102184 -0.409435 10.499798\nRb Ba Ca Sb O\n2 8 1 6 2\ndirect\n0.044463 0.036222 0.058728 Rb\n0.494422 0.492496 0.002327 Rb\n0.494539 0.689868 0.690478 Ba\n0.196866 0.981683 0.679094 Ba\n0.795881 0.023048 0.338694 Ba\n0.068494 0.490974 0.673226 Ba\n0.512354 0.317150 0.301289 Ba\n0.683328 0.056492 0.697705 Ba\n0.967927 0.518033 0.258817 Ba\n0.278583 0.772693 0.260570 Ba\n0.754113 0.412306 0.743865 Ca\n0.860547 0.723225 0.060126 Sb\n0.624569 0.105669 0.010988 Sb\n0.082034 0.329791 0.933450 Sb\n0.383385 0.892401 0.000630 Sb\n0.339643 0.254087 0.540916 Sb\n0.753064 0.722140 0.483893 Sb\n0.775871 0.312437 0.519431 O\n0.254204 0.740713 0.483273 O\n",
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],
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"density_atomic": 0.025629299134468913,
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"formula_full": "Rb2 Ba8 Ca1 Sb6 O2",
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"spacegroup": 1
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{
"id": "mp-1176752",
"created_at": "2022-09-04T14:47:27.673050Z",
"structure_string": "Li4 Fe16 P12 O48\n1.0\n6.283438 0.000000 0.000000\n0.000000 9.886482 0.000000\n0.000000 0.000000 16.538310\nLi Fe P O\n4 16 12 48\ndirect\n0.000000 0.255865 0.434120 Li\n0.000000 0.744135 0.565880 Li\n0.500000 0.755865 0.065880 Li\n0.500000 0.244135 0.934120 Li\n0.000000 0.543692 0.093395 Fe\n0.000000 0.987148 0.135421 Fe\n0.000000 0.012852 0.864579 Fe\n0.000000 0.456308 0.906605 Fe\n0.751633 0.753621 0.299558 Fe\n0.751633 0.246379 0.700442 Fe\n0.748367 0.253621 0.200442 Fe\n0.748367 0.746379 0.799558 Fe\n0.500000 0.956308 0.593395 Fe\n0.500000 0.043692 0.406605 Fe\n0.500000 0.487148 0.364579 Fe\n0.500000 0.512852 0.635421 Fe\n0.251633 0.253621 0.200442 Fe\n0.251633 0.746379 0.799558 Fe\n0.248367 0.753621 0.299558 Fe\n0.248367 0.246379 0.700442 Fe\n0.000000 0.214449 0.035898 P\n0.000000 0.050262 0.336500 P\n0.000000 0.460543 0.285982 P\n0.000000 0.539457 0.714018 P\n0.000000 0.949738 0.663500 P\n0.000000 0.785551 0.964102 P\n0.500000 0.960543 0.214018 P\n0.500000 0.714449 0.464102 P\n0.500000 0.285551 0.535898 P\n0.500000 0.039457 0.785982 P\n0.500000 0.550262 0.163500 P\n0.500000 0.449738 0.836500 P\n0.000000 0.369674 0.023462 O\n0.000000 0.117850 0.248846 O\n0.000000 0.402552 0.196341 O\n0.000000 0.851040 0.047192 O\n0.000000 0.617150 0.279690 O\n0.000000 0.105542 0.673802 O\n0.000000 0.894458 0.326198 O\n0.000000 0.382850 0.720310 O\n0.000000 0.148960 0.952808 O\n0.000000 0.597448 0.803659 O\n0.000000 0.882150 0.751154 O\n0.000000 0.630326 0.976538 O\n0.801982 0.169294 0.087293 O\n0.801982 0.830706 0.912707 O\n0.805427 0.896908 0.616134 O\n0.805427 0.103092 0.383866 O\n0.797359 0.402361 0.325489 O\n0.797359 0.597639 0.674511 O\n0.702641 0.902361 0.174511 O\n0.702641 0.097639 0.825489 O\n0.694573 0.396908 0.883866 O\n0.694573 0.603092 0.116134 O\n0.698018 0.330706 0.587293 O\n0.698018 0.669294 0.412707 O\n0.500000 0.351040 0.452808 O\n0.500000 0.869674 0.476538 O\n0.500000 0.130326 0.523462 O\n0.500000 0.648960 0.547192 O\n0.500000 0.882850 0.779690 O\n0.500000 0.605542 0.826198 O\n0.500000 0.617850 0.251154 O\n0.500000 0.902552 0.303659 O\n0.500000 0.097448 0.696341 O\n0.500000 0.394458 0.173802 O\n0.500000 0.117150 0.220310 O\n0.500000 0.382150 0.748846 O\n0.301982 0.669294 0.412707 O\n0.301982 0.330706 0.587293 O\n0.305427 0.603092 0.116134 O\n0.305427 0.396908 0.883866 O\n0.297359 0.902361 0.174511 O\n0.297359 0.097639 0.825489 O\n0.202641 0.402361 0.325489 O\n0.202641 0.597639 0.674511 O\n0.194573 0.103092 0.383866 O\n0.194573 0.896908 0.616134 O\n0.198018 0.169294 0.087293 O\n0.198018 0.830706 0.912707 O\n",
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"volume": 1027.377954518421,
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"formula_full": "Li4 Fe16 P12 O48",
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"energy": -589.10007957,
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"updated_at": "2021-11-28T01:38:12.596000Z",
"spacegroup": 58
},
{
"id": "mp-1031707",
"created_at": "2022-09-04T14:47:42.616488Z",
"structure_string": "Ca1 Mg6 Cd1 O8\n1.0\n8.802927 -0.000000 0.000000\n0.000000 4.458085 0.000000\n0.000000 0.000000 4.458085\nCa Mg Cd O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262834 -0.000000 0.500000 Mg\n0.737166 0.000000 0.500000 Mg\n0.262834 0.500000 0.000000 Mg\n0.737166 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Cd\n0.265157 0.000000 -0.000000 O\n0.734843 0.000000 0.000000 O\n0.267767 0.500000 0.500000 O\n0.732233 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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"formula_full": "Ca1 Mg6 Cd1 O8",
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{
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"structure_string": "Cs1 B1 H4\n1.0\n0.000000 3.725705 3.725705\n3.725705 0.000000 3.725705\n3.725705 3.725705 0.000000\nCs B H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 B\n0.404512 0.404512 0.786463 H\n0.404512 0.786463 0.404512 H\n0.786463 0.404512 0.404512 H\n0.404512 0.404512 0.404512 H\n",
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{
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{
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"structure_string": "Li8 Mn8 P8 O32\n1.0\n11.011679 0.000000 0.000000\n0.000000 5.884529 0.000000\n0.000000 0.222279 10.004426\nLi Mn P O\n8 8 8 32\ndirect\n0.156162 0.887845 0.862227 Li\n0.343838 0.887845 0.362227 Li\n0.652830 0.616249 0.605064 Li\n0.847170 0.616249 0.105064 Li\n0.152830 0.383751 0.894936 Li\n0.347170 0.383751 0.394936 Li\n0.656162 0.112155 0.637773 Li\n0.843838 0.112155 0.137773 Li\n0.873943 0.849274 0.511244 Mn\n0.626057 0.849274 0.011244 Mn\n0.404370 0.622002 0.763809 Mn\n0.095630 0.622002 0.263809 Mn\n0.904370 0.377998 0.736191 Mn\n0.595630 0.377998 0.236191 Mn\n0.373943 0.150726 0.988756 Mn\n0.126057 0.150726 0.488756 Mn\n0.892103 0.870955 0.842620 P\n0.607897 0.870955 0.342620 P\n0.144388 0.627270 0.595268 P\n0.355612 0.627270 0.095268 P\n0.644388 0.372730 0.904732 P\n0.855612 0.372730 0.404732 P\n0.392103 0.129045 0.657380 P\n0.107897 0.129045 0.157380 P\n0.813613 0.892670 0.972593 O\n0.478724 0.920939 0.670784 O\n0.686387 0.892670 0.472593 O\n0.021276 0.920939 0.170784 O\n0.807715 0.855971 0.716387 O\n0.061284 0.837802 0.571378 O\n0.692285 0.855971 0.216387 O\n0.438716 0.837802 0.071378 O\n0.222719 0.671201 0.718926 O\n0.969543 0.649180 0.857031 O\n0.277281 0.671201 0.218926 O\n0.530457 0.649180 0.357031 O\n0.566795 0.591026 0.875711 O\n0.281749 0.584271 0.966356 O\n0.933205 0.591026 0.375711 O\n0.218251 0.584271 0.466356 O\n0.781749 0.415729 0.533644 O\n0.066795 0.408974 0.624289 O\n0.718251 0.415729 0.033644 O\n0.433205 0.408974 0.124289 O\n0.469543 0.350820 0.642969 O\n0.722719 0.328799 0.781074 O\n0.030457 0.350820 0.142969 O\n0.777281 0.328799 0.281074 O\n0.561284 0.162198 0.928622 O\n0.307715 0.144029 0.783613 O\n0.938716 0.162198 0.428622 O\n0.192285 0.144029 0.283613 O\n0.978724 0.079061 0.829216 O\n0.313613 0.107330 0.527407 O\n0.521276 0.079061 0.329216 O\n0.186387 0.107330 0.027407 O\n",
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{
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"elements": [
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"formula_full": "K8 Li12 B4 P16 O56",
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"updated_at": "2021-11-28T01:38:11.824000Z",
"spacegroup": 64
},
{
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]
}