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{
"id": "mp-699602",
"created_at": "2022-09-04T14:40:18.004295Z",
"structure_string": "Li24 Mo16 P24 O112\n1.0\n8.219223 0.000000 0.000000\n0.000000 15.364032 0.000000\n0.000000 4.100885 17.781033\nLi Mo P O\n24 16 24 112\ndirect\n0.769335 0.116384 0.713242 Li\n0.974922 0.370868 0.341672 Li\n0.868867 0.762037 0.919698 Li\n0.368867 0.237963 0.580302 Li\n0.631133 0.762037 0.419698 Li\n0.944986 0.432126 0.143250 Li\n0.474922 0.629132 0.158328 Li\n0.025078 0.629132 0.658328 Li\n0.269335 0.883616 0.786758 Li\n0.431764 0.271566 0.732132 Li\n0.171587 0.166074 0.353801 Li\n0.444986 0.567874 0.356750 Li\n0.131133 0.237963 0.080302 Li\n0.525078 0.370868 0.841672 Li\n0.068236 0.271566 0.232132 Li\n0.671587 0.833926 0.146199 Li\n0.328413 0.166074 0.853801 Li\n0.055014 0.567874 0.856750 Li\n0.931764 0.728434 0.767868 Li\n0.730665 0.116384 0.213242 Li\n0.828413 0.833926 0.646199 Li\n0.230665 0.883616 0.286758 Li\n0.568236 0.728434 0.267868 Li\n0.555014 0.432126 0.643250 Li\n0.012365 0.325019 0.917283 Mo\n0.483153 0.844771 0.956903 Mo\n0.485847 0.577535 0.855186 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0.487490 P\n0.652844 0.890679 0.518869 P\n0.201358 0.797470 0.628311 P\n0.810558 0.885239 0.294178 P\n0.798642 0.202530 0.371689 P\n0.545188 0.243446 0.832277 O\n0.042243 0.718919 0.863415 O\n0.330438 0.553291 0.773395 O\n0.889692 0.568785 0.451601 O\n0.534377 0.707216 0.001105 O\n0.417959 0.937858 0.339838 O\n0.327592 0.839674 0.044260 O\n0.998748 0.559669 0.119234 O\n0.389692 0.431215 0.048399 O\n0.016965 0.098024 0.742576 O\n0.049435 0.953150 0.412056 O\n0.662912 0.865586 0.030001 O\n0.169562 0.553291 0.273395 O\n0.636075 0.973891 0.454508 O\n0.457757 0.718919 0.363415 O\n0.363925 0.026109 0.545492 O\n0.677155 0.651547 0.502094 O\n0.983035 0.901976 0.257424 O\n0.572569 0.672116 0.803828 O\n0.136075 0.026109 0.045492 O\n0.154487 0.504364 0.681959 O\n0.721439 0.134069 0.332027 O\n0.072569 0.327884 0.696172 O\n0.863925 0.973891 0.954508 O\n0.280488 0.622098 0.894727 O\n0.845725 0.319290 0.003606 O\n0.172408 0.839674 0.544260 O\n0.808335 0.209813 0.607614 O\n0.801865 0.835232 0.752179 O\n0.542243 0.281081 0.636585 O\n0.498748 0.440331 0.380766 O\n0.674385 0.282000 0.367344 O\n0.833813 0.707972 0.136390 O\n0.166187 0.292028 0.863610 O\n0.110308 0.431215 0.548399 O\n0.168410 0.168846 0.622236 O\n0.454812 0.756554 0.167723 O\n0.654275 0.319290 0.503606 O\n0.191665 0.790187 0.392386 O\n0.825615 0.282000 0.867344 O\n0.549435 0.046850 0.087944 O\n0.672408 0.160326 0.955740 O\n0.406548 0.404273 0.735074 O\n0.950565 0.046850 0.587944 O\n0.322845 0.348453 0.497906 O\n0.780488 0.377902 0.605273 O\n0.954812 0.243446 0.332277 O\n0.345725 0.680710 0.496394 O\n0.761669 0.979377 0.795045 O\n0.895870 0.563695 0.591195 O\n0.889734 0.907349 0.097943 O\n0.427431 0.327884 0.196172 O\n0.082041 0.937858 0.839838 O\n0.177155 0.348453 0.997906 O\n0.691665 0.209813 0.107614 O\n0.395870 0.436305 0.908805 O\n0.162912 0.134414 0.469999 O\n0.965623 0.707216 0.501105 O\n0.582041 0.062142 0.660162 O\n0.516965 0.901976 0.757424 O\n0.050316 0.186476 0.996996 O\n0.261669 0.020623 0.704955 O\n0.001252 0.440331 0.880766 O\n0.325615 0.718000 0.632656 O\n0.389734 0.092651 0.402057 O\n0.698135 0.835232 0.252179 O\n0.483035 0.098024 0.242576 O\n0.450565 0.953150 0.912056 O\n0.906548 0.595727 0.764926 O\n0.308335 0.790187 0.892386 O\n0.093452 0.404273 0.235074 O\n0.301865 0.164768 0.747821 O\n0.666187 0.707972 0.636390 O\n0.104130 0.436305 0.408805 O\n0.837088 0.865586 0.530001 O\n0.604130 0.563695 0.091195 O\n0.465623 0.292784 0.998895 O\n0.337088 0.134414 0.969999 O\n0.957757 0.281081 0.136585 O\n0.333813 0.292028 0.363610 O\n0.827592 0.160326 0.455740 O\n0.668410 0.831154 0.877764 O\n0.449684 0.186476 0.496996 O\n0.345513 0.504364 0.181959 O\n0.778561 0.134069 0.832027 O\n0.174385 0.718000 0.132656 O\n0.278561 0.865931 0.667973 O\n0.822845 0.651547 0.002094 O\n0.198135 0.164768 0.247821 O\n0.927431 0.672116 0.303828 O\n0.610266 0.907349 0.597943 O\n0.550316 0.813524 0.503004 O\n0.654487 0.495636 0.818041 O\n0.034377 0.292784 0.498895 O\n0.917959 0.062142 0.160162 O\n0.501252 0.559669 0.619234 O\n0.593452 0.595727 0.264926 O\n0.219512 0.622098 0.394727 O\n0.110266 0.092651 0.902057 O\n0.331590 0.168846 0.122236 O\n0.154275 0.680710 0.996394 O\n0.669562 0.446709 0.226605 O\n0.221439 0.865931 0.167973 O\n0.831590 0.831154 0.377764 O\n0.610308 0.568785 0.951601 O\n0.830438 0.446709 0.726605 O\n0.949684 0.813524 0.003004 O\n0.738331 0.979377 0.295045 O\n0.719512 0.377902 0.105273 O\n0.845513 0.495636 0.318041 O\n0.045188 0.756554 0.667723 O\n0.238331 0.020623 0.204955 O\n",
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"elements": [
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"Mo",
"P",
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],
"chemical_system": "Li-Mo-O-P",
"density": 3.133337188355174,
"density_atomic": 0.07838260865034621,
"volume": 2245.3960518858366,
"volume_molar": 7.683006299093621,
"formula_full": "Li24 Mo16 P24 O112",
"formula_reduced": "Li3Mo2P3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -1330.40442749,
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"updated_at": "2021-11-28T01:34:51.165000Z",
"spacegroup": 14
},
{
"id": "mp-684876",
"created_at": "2022-09-04T14:40:18.007972Z",
"structure_string": "Te40 Rh31\n1.0\n12.220147 0.000000 0.000000\n-4.589591 -11.723760 0.000000\n-4.937126 0.269104 -11.687825\nTe Rh\n40 31\ndirect\n0.785163 0.476488 0.668966 Te\n0.532219 0.672643 0.850845 Te\n0.435460 0.927524 0.884276 Te\n0.981620 0.023034 0.774851 Te\n0.560145 0.675360 0.483371 Te\n0.012835 0.303539 0.838359 Te\n0.726604 0.249256 0.859903 Te\n0.546545 0.878995 0.341867 Te\n0.581320 0.402870 0.877632 Te\n0.334716 0.070586 0.351409 Te\n0.939440 0.147800 0.326185 Te\n0.816352 0.807433 0.889564 Te\n0.217636 0.972343 0.002927 Te\n0.960550 0.613034 0.471313 Te\n0.116212 0.144149 0.576797 Te\n0.761511 0.374586 0.179222 Te\n0.735136 0.183572 0.473809 Te\n0.301123 0.258329 0.858552 Te\n0.012546 0.328883 0.113319 Te\n0.351083 0.492251 0.635880 Te\n0.645078 0.498510 0.360791 Te\n0.992726 0.675253 0.888412 Te\n0.701928 0.741851 0.160754 Te\n0.269082 0.813050 0.533070 Te\n0.235465 0.631152 0.820114 Te\n0.890086 0.852493 0.431183 Te\n0.039346 0.385604 0.530705 Te\n0.788394 0.023280 0.997079 Te\n0.178769 0.180258 0.114872 Te\n0.057893 0.851323 0.675185 Te\n0.660503 0.924353 0.646624 Te\n0.421381 0.600197 0.104425 Te\n0.456506 0.125573 0.661068 Te\n0.279287 0.749661 0.148704 Te\n0.979394 0.701289 0.153419 Te\n0.437583 0.321699 0.517140 Te\n0.015380 0.972825 0.229057 Te\n0.567509 0.082446 0.112933 Te\n0.463732 0.335740 0.141759 Te\n0.209057 0.521302 0.330444 Te\n0.999360 0.995236 0.000916 Rh\n0.460086 0.487839 0.960569 Rh\n0.975340 0.207593 0.655213 Rh\n0.807328 0.483191 0.880217 Rh\n0.460148 0.725034 0.618560 Rh\n0.224524 0.043104 0.799953 Rh\n0.941486 0.497713 0.108517 Rh\n0.784835 0.655978 0.528550 Rh\n0.826708 0.108856 0.810250 Rh\n0.496804 0.855545 0.115738 Rh\n0.984094 0.364484 0.305610 Rh\n0.062832 0.504690 0.899567 Rh\n0.614297 0.888958 0.832154 Rh\n0.216066 0.427094 0.771168 Rh\n0.802983 0.391749 0.396543 Rh\n0.499623 0.157003 0.878413 Rh\n0.241337 0.354184 0.997674 Rh\n0.034842 0.793333 0.350894 Rh\n0.672505 0.218171 0.637098 Rh\n0.527192 0.016550 0.477628 Rh\n0.333317 0.785936 0.370675 Rh\n0.732677 0.637457 0.009230 Rh\n0.539178 0.265986 0.390101 Rh\n0.196946 0.605294 0.605051 Rh\n0.812040 0.580696 0.243867 Rh\n0.384880 0.116231 0.167025 Rh\n0.010495 0.632500 0.694970 Rh\n0.174822 0.890309 0.189436 Rh\n0.211054 0.338876 0.469485 Rh\n0.772085 0.962069 0.194255 Rh\n0.202799 0.517801 0.123888 Rh\n",
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"elements": [
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"formula_full": "Te40 Rh31",
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"energy": -361.14515533,
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{
"id": "mp-9509",
"created_at": "2022-09-04T14:40:18.011197Z",
"structure_string": "K4 P2 Au2 S8\n1.0\n6.882998 0.000000 0.000000\n0.000000 6.742747 0.000000\n0.000000 0.532190 9.569556\nK P Au S\n4 2 2 8\ndirect\n0.250000 0.480489 0.162954 K\n0.750000 0.519511 0.837046 K\n0.250000 0.796589 0.539328 K\n0.750000 0.203411 0.460672 K\n0.750000 0.732481 0.279908 P\n0.250000 0.267519 0.720092 P\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Au\n0.250000 0.304218 0.508948 S\n0.750000 0.695782 0.491052 S\n0.250000 0.521228 0.823609 S\n0.750000 0.478772 0.176391 S\n0.500918 0.098351 0.763616 S\n0.000918 0.901649 0.236384 S\n0.999082 0.098351 0.763616 S\n0.499082 0.901649 0.236384 S\n",
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},
{
"id": "mp-1210245",
"created_at": "2022-09-04T14:40:18.014684Z",
"structure_string": "Na2 Al2 Cr4 H4 O16\n1.0\n2.673604 7.043629 0.000000\n-2.673604 7.043629 0.000000\n0.000000 4.033036 10.297220\nNa Al Cr H O\n2 2 4 4 16\ndirect\n0.715561 0.284439 0.750000 Na\n0.284439 0.715561 0.250000 Na\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.340219 0.861186 0.536790 Cr\n0.659781 0.138814 0.463210 Cr\n0.138814 0.659781 0.963210 Cr\n0.861186 0.340219 0.036790 Cr\n0.484759 0.950302 0.838261 H\n0.515241 0.049698 0.161739 H\n0.049698 0.515241 0.661739 H\n0.950302 0.484759 0.338261 H\n0.646952 0.123993 0.615216 O\n0.353048 0.876007 0.384784 O\n0.876007 0.353048 0.884784 O\n0.123993 0.646952 0.115216 O\n0.816144 0.899201 0.922330 O\n0.183856 0.100799 0.077670 O\n0.100799 0.183856 0.577670 O\n0.899201 0.816144 0.422330 O\n0.252901 0.709947 0.626472 O\n0.747099 0.290053 0.373528 O\n0.290053 0.747099 0.873528 O\n0.709947 0.252901 0.126472 O\n0.653240 0.676685 0.569336 O\n0.346760 0.323315 0.430664 O\n0.323315 0.346760 0.930664 O\n0.676685 0.653240 0.069336 O\n",
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"formula_full": "Na2 Al2 Cr4 H4 O16",
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{
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"structure_string": "Li6 Fe6 Si6 O24\n1.0\n4.391105 -7.605616 0.000000\n4.391105 7.605616 0.000000\n0.000000 0.000000 8.300918\nLi Fe Si O\n6 6 6 24\ndirect\n0.333333 0.666667 0.984986 Li\n0.333333 0.666667 0.550729 Li\n0.000000 0.000000 0.815860 Li\n0.000000 0.000000 0.315860 Li\n0.666667 0.333333 0.484986 Li\n0.666667 0.333333 0.050729 Li\n0.044633 0.686714 0.263746 Fe\n0.313286 0.357919 0.263746 Fe\n0.642081 0.955367 0.263746 Fe\n0.357919 0.044633 0.763746 Fe\n0.686714 0.642081 0.763746 Fe\n0.955367 0.313286 0.763746 Fe\n0.039797 0.683818 0.881760 Si\n0.316182 0.355979 0.881760 Si\n0.644021 0.960203 0.881760 Si\n0.355979 0.039797 0.381760 Si\n0.683818 0.644021 0.381760 Si\n0.960203 0.316182 0.381760 Si\n0.112188 0.873239 0.787474 O\n0.143188 0.724474 0.056017 O\n0.098385 0.558836 0.783306 O\n0.240759 0.823779 0.404440 O\n0.176221 0.416981 0.404440 O\n0.126761 0.238948 0.787474 O\n0.460451 0.901615 0.783306 O\n0.275526 0.418714 0.056017 O\n0.581286 0.856812 0.056017 O\n0.238948 0.112188 0.287474 O\n0.441164 0.539549 0.783306 O\n0.583019 0.759241 0.404440 O\n0.416981 0.240759 0.904440 O\n0.558836 0.460451 0.283306 O\n0.761052 0.887812 0.787474 O\n0.418714 0.143188 0.556017 O\n0.724474 0.581286 0.556017 O\n0.539549 0.098385 0.283306 O\n0.873239 0.761052 0.287474 O\n0.823779 0.583019 0.904440 O\n0.759241 0.176221 0.904440 O\n0.901615 0.441164 0.283306 O\n0.856812 0.275526 0.556017 O\n0.887812 0.126761 0.287474 O\n",
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"formula_full": "Li6 Fe6 Si6 O24",
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