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{
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"results": [
{
"id": "mp-1235767",
"created_at": "2022-09-04T14:42:05.916441Z",
"structure_string": "Li1 Ag1 Cl1 O4\n1.0\n4.930495 0.000000 2.846623\n1.643499 4.648515 2.846623\n0.000000 0.000000 5.693245\nLi Ag Cl O\n1 1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Cl\n0.104485 0.686546 0.104485 O\n0.104485 0.104485 0.104485 O\n0.686546 0.104485 0.104485 O\n0.104485 0.104485 0.686546 O\n",
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"elements": [
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"Ag",
"Cl",
"O"
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"chemical_system": "Ag-Cl-Li-O",
"density": 2.726623414470951,
"density_atomic": 0.05364551355406487,
"volume": 130.4862147129094,
"volume_molar": 11.225805032010333,
"formula_full": "Li1 Ag1 Cl1 O4",
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},
{
"id": "mp-775903",
"created_at": "2022-09-04T14:42:09.694758Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n0.411942 -7.098473 0.263103\n-8.658641 0.256892 0.068563\n0.525587 2.997093 -9.755924\nLi Mn P O\n8 4 8 28\ndirect\n0.626493 0.851166 0.292622 Li\n0.626430 0.851205 0.792591 Li\n0.337171 0.676917 0.007916 Li\n0.337190 0.676851 0.507871 Li\n0.927121 0.399665 0.028000 Li\n0.927053 0.399538 0.528036 Li\n0.375525 0.155543 0.209798 Li\n0.375521 0.155443 0.709768 Li\n0.507196 0.494724 0.754462 Mn\n0.005110 0.004679 0.500341 Mn\n0.507476 0.494570 0.254587 Mn\n0.004874 0.004874 0.000722 Mn\n0.183667 0.797980 0.273787 P\n0.183667 0.797975 0.773889 P\n0.770623 0.690681 0.063206 P\n0.770638 0.690641 0.563284 P\n0.226740 0.317729 0.435161 P\n0.226703 0.317714 0.935171 P\n0.816227 0.204191 0.231626 P\n0.816222 0.204197 0.731626 P\n0.210937 0.945444 0.202611 O\n0.210982 0.945322 0.702519 O\n0.763887 0.841063 0.491551 O\n0.763727 0.841104 0.991579 O\n0.139749 0.820062 0.409692 O\n0.139768 0.820262 0.909762 O\n0.629199 0.686428 0.150665 O\n0.629024 0.686471 0.650573 O\n0.364008 0.702947 0.298523 O\n0.363940 0.702879 0.798643 O\n0.997318 0.680759 0.165830 O\n0.997237 0.680759 0.665944 O\n0.731256 0.544091 0.463857 O\n0.731181 0.544109 0.963815 O\n0.269606 0.462418 0.038611 O\n0.269476 0.462399 0.538600 O\n0.984897 0.321260 0.356281 O\n0.984931 0.321312 0.856262 O\n0.628784 0.286416 0.210838 O\n0.628787 0.286507 0.710739 O\n0.328811 0.327114 0.325910 O\n0.328841 0.326961 0.825919 O\n0.892095 0.201384 0.107867 O\n0.892125 0.201267 0.607881 O\n0.247459 0.167056 0.007183 O\n0.247551 0.167032 0.507144 O\n0.799098 0.046650 0.291685 O\n0.799016 0.046742 0.791760 O\n",
"nsites": 48,
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"elements": [
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],
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"density": 2.7265639721612955,
"density_atomic": 0.08116423217297347,
"volume": 591.3935081367445,
"volume_molar": 7.4196978136451675,
"formula_full": "Li8 Mn4 P8 O28",
"formula_reduced": "Li2MnP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -361.13787177,
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"updated_at": "2021-11-28T01:35:38.207000Z",
"spacegroup": 1
},
{
"id": "mp-1180812",
"created_at": "2022-09-04T14:45:14.833044Z",
"structure_string": "Na6 V2 I2 O26\n1.0\n6.434527 0.000000 0.000000\n0.244578 8.537425 0.000000\n0.200884 3.070625 10.084529\nNa V I O\n6 2 2 26\ndirect\n0.786346 0.492872 0.192179 Na\n0.213654 0.507128 0.807821 Na\n0.385822 0.897749 0.346811 Na\n0.614178 0.102251 0.653189 Na\n0.383422 0.760907 0.056444 Na\n0.616578 0.239093 0.943556 Na\n0.076449 0.185781 0.047715 V\n0.923551 0.814219 0.952285 V\n0.153931 0.126555 0.772785 I\n0.846069 0.873445 0.227215 I\n0.283744 0.999080 0.681297 O\n0.716256 0.000920 0.318703 O\n0.026307 0.294885 0.575617 O\n0.973693 0.705115 0.424383 O\n0.375078 0.269073 0.748617 O\n0.624922 0.730927 0.251383 O\n0.299917 0.283212 0.042242 O\n0.700083 0.716788 0.957758 O\n0.886464 0.303648 0.087584 O\n0.113536 0.696352 0.912416 O\n0.993338 0.270109 0.857573 O\n0.006662 0.729891 0.142427 O\n0.895805 0.997677 0.791681 O\n0.104195 0.002323 0.208319 O\n0.206450 0.005996 0.950158 O\n0.793550 0.994004 0.049842 O\n0.184838 0.396080 0.273175 O\n0.815162 0.603920 0.726825 O\n0.348796 0.470273 0.251948 O\n0.651204 0.529727 0.748052 O\n0.491463 0.254671 0.395269 O\n0.508537 0.745329 0.604731 O\n0.170006 0.670387 0.436209 O\n0.829994 0.329613 0.563791 O\n0.319508 0.190924 0.403204 O\n0.680492 0.809076 0.596796 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"V",
"I",
"O"
],
"chemical_system": "I-Na-O-V",
"density": 2.7265128038811226,
"density_atomic": 0.06498353798100226,
"volume": 553.9864574705749,
"volume_molar": 9.267178961170988,
"formula_full": "Na6 V2 I2 O26",
"formula_reduced": "Na3VIO13",
"formula_anonymous": "ABC3D13",
"energy": -192.46329355,
"energy_per_atom": -5.346202598611111,
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"updated_at": "2021-11-28T01:36:55.340000Z",
"spacegroup": 2
},
{
"id": "mp-1173576",
"created_at": "2022-09-04T14:42:45.775939Z",
"structure_string": "Na2 Mg2 Fe2 S6 O24\n1.0\n7.500381 -0.031949 4.206282\n2.596212 7.059750 4.217435\n-0.076224 -0.042119 8.928651\nNa Mg Fe S O\n2 2 2 6 24\ndirect\n0.001680 0.501161 0.996050 Na\n0.501391 0.000904 0.496141 Na\n0.147096 0.645153 0.558172 Mg\n0.649621 0.145125 0.058243 Mg\n0.349582 0.852982 0.946174 Fe\n0.851418 0.353066 0.446106 Fe\n0.246856 0.042815 0.252214 S\n0.046436 0.247724 0.752481 S\n0.541768 0.457001 0.252667 S\n0.458073 0.542730 0.752067 S\n0.953344 0.747468 0.252626 S\n0.748912 0.956846 0.752663 S\n0.077848 0.220197 0.265754 O\n0.277009 0.019443 0.082988 O\n0.015072 0.286905 0.584732 O\n0.113331 0.786633 0.084499 O\n0.411350 0.068781 0.236555 O\n0.226602 0.079735 0.757316 O\n0.071675 0.409876 0.741962 O\n0.570469 0.284346 0.231982 O\n0.383962 0.484842 0.416000 O\n0.212377 0.882116 0.409898 O\n0.508703 0.623397 0.088915 O\n0.283371 0.568017 0.737132 O\n0.720216 0.438708 0.261469 O\n0.495889 0.381953 0.909869 O\n0.778920 0.123317 0.588847 O\n0.620566 0.519619 0.582865 O\n0.435933 0.720323 0.765630 O\n0.935871 0.579909 0.257504 O\n0.776381 0.910014 0.242211 O\n0.579697 0.938034 0.761953 O\n0.890799 0.205928 0.914486 O\n0.989051 0.705648 0.414269 O\n0.715313 0.984827 0.915800 O\n0.913418 0.784457 0.731759 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Na",
"Mg",
"Fe",
"S",
"O"
],
"chemical_system": "Fe-Mg-Na-O-S",
"density": 2.726498687175754,
"density_atomic": 0.07552456894775109,
"volume": 476.6660770338893,
"volume_molar": 7.973750587264124,
"formula_full": "Na2 Mg2 Fe2 S6 O24",
"formula_reduced": "NaMgFe(SO4)3",
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"energy": -242.59937388,
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"spacegroup": 161
},
{
"id": "mp-1202928",
"created_at": "2022-09-04T14:39:14.906784Z",
"structure_string": "Si32 C12\n1.0\n4.942462 0.000000 0.000000\n0.086945 12.201819 0.000000\n2.215437 5.954115 10.531830\nSi C\n32 12\ndirect\n0.819349 0.689154 0.969832 Si\n0.180651 0.310846 0.030168 Si\n0.498761 0.604004 0.909959 Si\n0.501239 0.395996 0.090041 Si\n0.532416 0.400122 0.824339 Si\n0.467584 0.599878 0.175661 Si\n0.138558 0.438245 0.674148 Si\n0.861442 0.561755 0.325852 Si\n0.719491 0.387336 0.541308 Si\n0.280509 0.612664 0.458692 Si\n0.775884 0.611880 0.606589 Si\n0.224116 0.388120 0.393411 Si\n0.184201 0.591563 0.759928 Si\n0.815799 0.408437 0.240072 Si\n0.239738 0.830951 0.735502 Si\n0.760262 0.169049 0.264498 Si\n0.211848 0.098471 0.080158 Si\n0.788152 0.901529 0.919842 Si\n0.364458 0.002503 0.863083 Si\n0.635542 0.997497 0.136917 Si\n0.008066 0.021367 0.664560 Si\n0.991934 0.978633 0.335440 Si\n0.357124 0.057818 0.408721 Si\n0.642876 0.942182 0.591279 Si\n0.843744 0.209602 0.428409 Si\n0.156256 0.790398 0.571591 Si\n0.424489 0.220648 0.546855 Si\n0.575511 0.779352 0.453145 Si\n0.151229 0.215375 0.795208 Si\n0.848771 0.784625 0.204792 Si\n0.711456 0.195320 0.926413 Si\n0.288544 0.804680 0.073587 Si\n0.146141 0.662472 0.879454 C\n0.853859 0.337528 0.120546 C\n0.574573 0.575821 0.770034 C\n0.425427 0.424179 0.229966 C\n0.755777 0.437190 0.659268 C\n0.244223 0.562810 0.340732 C\n0.377467 0.127867 0.913034 C\n0.622533 0.872133 0.086966 C\n0.226161 0.114250 0.714741 C\n0.773839 0.885750 0.285259 C\n0.158390 0.138611 0.488340 C\n0.841610 0.861389 0.511660 C\n",
"nsites": 44,
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"formula_full": "Si32 C12",
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{
"id": "mp-655105",
"created_at": "2022-09-04T14:41:15.507509Z",
"structure_string": "K2 Pb1 S2 O8\n1.0\n7.364232 -3.440837 0.000000\n7.364232 3.440837 0.000000\n5.756549 0.000000 5.738765\nK Pb S O\n2 1 2 8\ndirect\n0.810276 0.810276 0.810276 K\n0.189724 0.189724 0.189724 K\n0.500000 0.500000 0.500000 Pb\n0.626891 0.626891 0.626891 S\n0.373109 0.373109 0.373109 S\n0.716630 0.716630 0.362758 O\n0.637242 0.283370 0.283370 O\n0.362758 0.716630 0.716630 O\n0.283370 0.637242 0.283370 O\n0.283370 0.283370 0.637242 O\n0.304986 0.304986 0.304986 O\n0.716630 0.362758 0.716630 O\n0.695014 0.695014 0.695014 O\n",
"nsites": 13,
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"elements": [
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"S",
"O"
],
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"density": 2.7264799121243217,
"density_atomic": 0.044699570910771,
"volume": 290.83053226507514,
"volume_molar": 13.472480020046186,
"formula_full": "K2 Pb1 S2 O8",
"formula_reduced": "K2Pb(SO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -76.23711396,
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"spacegroup": 166
},
{
"id": "mp-560282",
"created_at": "2022-09-04T14:43:56.865013Z",
"structure_string": "K8 Ba4 N16 O32\n1.0\n6.251519 6.686668 0.000000\n-6.251519 6.686668 0.000000\n0.000000 6.682057 11.642634\nK Ba N O\n8 4 16 32\ndirect\n0.422845 0.925121 0.164876 K\n0.074879 0.577155 0.835124 K\n0.088635 0.589105 0.335124 K\n0.577155 0.074879 0.835124 K\n0.410895 0.911365 0.664876 K\n0.589105 0.088635 0.335124 K\n0.911365 0.410895 0.664876 K\n0.925121 0.422845 0.164876 K\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.268939 0.731061 0.500000 N\n0.491385 0.491385 0.766309 N\n0.268784 0.731216 0.000000 N\n0.765456 0.765456 0.003945 N\n0.243811 0.243811 0.267351 N\n0.769558 0.769558 0.496445 N\n0.731061 0.268939 0.500000 N\n0.234544 0.234544 0.996055 N\n0.741800 0.741800 0.265210 N\n0.990399 0.990399 0.766217 N\n0.258200 0.258200 0.734790 N\n0.230442 0.230442 0.503555 N\n0.508615 0.508615 0.233691 N\n0.731216 0.268784 0.000000 N\n0.009601 0.009601 0.233783 N\n0.756189 0.756189 0.732649 N\n0.093870 0.922400 0.285724 O\n0.922400 0.093870 0.285724 O\n0.906130 0.077600 0.714276 O\n0.307169 0.877529 0.445697 O\n0.367069 0.195543 0.504228 O\n0.628258 0.799587 0.004563 O\n0.692831 0.122471 0.554303 O\n0.804457 0.632931 0.495772 O\n0.707228 0.878770 0.213943 O\n0.799587 0.628258 0.004563 O\n0.122471 0.692831 0.554303 O\n0.292772 0.121230 0.786057 O\n0.371742 0.200413 0.995437 O\n0.209771 0.381274 0.216730 O\n0.200413 0.371742 0.995437 O\n0.381274 0.209771 0.216730 O\n0.877529 0.307169 0.445697 O\n0.747220 0.176635 0.945698 O\n0.632931 0.804457 0.495772 O\n0.596861 0.425266 0.283638 O\n0.176635 0.747220 0.945698 O\n0.077600 0.906130 0.714276 O\n0.195543 0.367069 0.504228 O\n0.403139 0.574734 0.716362 O\n0.425266 0.596861 0.283638 O\n0.574734 0.403139 0.716362 O\n0.823365 0.252780 0.054302 O\n0.252780 0.823365 0.054302 O\n0.878770 0.707228 0.213943 O\n0.618726 0.790229 0.783270 O\n0.121230 0.292772 0.786057 O\n0.790229 0.618726 0.783270 O\n",
"nsites": 60,
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"elements": [
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"O"
],
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"density": 2.726458454631266,
"density_atomic": 0.061641712219164674,
"volume": 973.3668621447822,
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"formula_full": "K8 Ba4 N16 O32",
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"energy": -391.23679987,
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},
{
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