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{
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{
"id": "mp-1192145",
"created_at": "2022-09-04T14:40:12.234657Z",
"structure_string": "Li4 Ga4 H16\n1.0\n3.630787 0.000000 3.265352\n3.629795 0.000000 -6.691418\n0.000000 7.836640 0.000000\nLi Ga H\n4 4 16\ndirect\n0.743339 0.322504 0.460033 Li\n0.756661 0.177496 0.960033 Li\n0.256661 0.677496 0.539967 Li\n0.243339 0.822504 0.039967 Li\n0.726265 0.567116 0.794308 Ga\n0.773735 0.932884 0.294308 Ga\n0.273735 0.432884 0.205692 Ga\n0.226265 0.067116 0.705692 Ga\n0.074746 0.270734 0.105063 H\n0.425254 0.229266 0.605063 H\n0.925254 0.729266 0.894937 H\n0.574746 0.770734 0.394937 H\n0.112026 0.476254 0.376139 H\n0.387974 0.023746 0.876139 H\n0.887974 0.523746 0.623861 H\n0.612026 0.976254 0.123861 H\n0.652039 0.389931 0.908271 H\n0.847961 0.110069 0.408271 H\n0.347961 0.610069 0.091729 H\n0.152039 0.889931 0.591729 H\n0.446176 0.623269 0.734967 H\n0.053824 0.876731 0.234967 H\n0.553824 0.376731 0.265033 H\n0.946176 0.123269 0.765033 H\n",
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"formula_full": "Li4 Ga4 H16",
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{
"id": "mp-1389151",
"created_at": "2022-09-04T14:40:12.247894Z",
"structure_string": "Al2 Mo2 O6\n1.0\n1.631550 -2.825928 0.000000\n1.631550 2.825928 0.000000\n0.000000 0.000000 12.403619\nAl Mo O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Mo\n0.333333 0.666667 0.250000 Mo\n0.333333 0.666667 0.428488 O\n0.666667 0.333333 0.928488 O\n0.666667 0.333333 0.571512 O\n0.333333 0.666667 0.071512 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
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"formula_full": "Al2 Mo2 O6",
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"energy": -79.29805426,
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"updated_at": "2021-11-28T01:34:47.684000Z",
"spacegroup": 194
},
{
"id": "mp-1234343",
"created_at": "2022-09-04T14:40:12.268181Z",
"structure_string": "Mg1 Cr4 Hg4 H4 O18\n1.0\n5.081347 2.851508 -3.225543\n-4.969028 2.528831 3.129995\n0.608585 -0.270836 16.299807\nMg Cr Hg H O\n1 4 4 4 18\ndirect\n0.681261 0.757186 0.453240 Mg\n0.762425 0.357261 0.617195 Cr\n0.356978 0.756202 0.906544 Cr\n0.138350 0.543518 0.391779 Cr\n0.651024 0.258774 0.089430 Cr\n0.005555 0.006089 0.651424 Hg\n0.958348 0.955026 0.882920 Hg\n0.242854 0.136790 0.378169 Hg\n0.047649 0.053867 0.113153 Hg\n0.579730 0.431994 0.798178 H\n0.414621 0.560406 0.726918 H\n0.409308 0.574235 0.213732 H\n0.649283 0.536563 0.264205 H\n0.036669 0.316283 0.675014 O\n0.232644 0.970073 0.845352 O\n0.986953 0.732910 0.329315 O\n0.785233 0.058068 0.147301 O\n0.523671 0.175650 0.672894 O\n0.210948 0.525722 0.845980 O\n0.362401 0.643466 0.334699 O\n0.794554 0.487289 0.150354 O\n0.918564 0.734993 0.588426 O\n0.710512 0.969266 0.923558 O\n0.922598 0.171691 0.408912 O\n0.296818 0.035321 0.076377 O\n0.625236 0.364505 0.493493 O\n0.285006 0.587746 0.009217 O\n0.358432 0.637802 0.495320 O\n0.711948 0.429335 0.984666 O\n0.605827 0.614441 0.758765 O\n0.444603 0.427528 0.238052 O\n",
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],
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"density": 4.887182810880454,
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"volume": 450.7684788004493,
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"formula_full": "Mg1 Cr4 Hg4 H4 O18",
"formula_reduced": "MgCr4Hg4(H2O9)2",
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"energy": -186.12900107,
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"spacegroup": 1
},
{
"id": "mp-770738",
"created_at": "2022-09-04T14:40:12.307153Z",
"structure_string": "Na6 B2 Sb2 As2 O14\n1.0\n7.108555 0.000000 0.000000\n0.000000 5.501842 0.000000\n0.000000 0.529984 9.539204\nNa B Sb As O\n6 2 2 2 14\ndirect\n0.250000 0.765544 0.932721 Na\n0.007565 0.248319 0.758915 Na\n0.492435 0.248319 0.758915 Na\n0.507565 0.751681 0.241085 Na\n0.992435 0.751681 0.241085 Na\n0.750000 0.234456 0.067279 Na\n0.750000 0.731921 0.937254 B\n0.250000 0.268079 0.062746 B\n0.750000 0.775037 0.664662 Sb\n0.250000 0.224963 0.335338 Sb\n0.250000 0.716611 0.598256 As\n0.750000 0.283389 0.401744 As\n0.250000 0.271733 0.923525 O\n0.750000 0.954649 0.850304 O\n0.750000 0.525751 0.855027 O\n0.063165 0.823023 0.696305 O\n0.436835 0.823023 0.696305 O\n0.250000 0.408722 0.604892 O\n0.750000 0.175448 0.576359 O\n0.250000 0.824552 0.423641 O\n0.750000 0.591278 0.395108 O\n0.563165 0.176977 0.303695 O\n0.936835 0.176977 0.303695 O\n0.250000 0.474249 0.144973 O\n0.250000 0.045351 0.149696 O\n0.750000 0.728267 0.076475 O\n",
"nsites": 26,
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"elements": [
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"B",
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],
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"density": 3.45797028987896,
"density_atomic": 0.06969020936230119,
"volume": 373.07966553569656,
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"formula_full": "Na6 B2 Sb2 As2 O14",
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"updated_at": "2021-11-28T01:34:51.711000Z",
"spacegroup": 11
},
{
"id": "mp-30651",
"created_at": "2022-09-04T14:40:28.170335Z",
"structure_string": "Mg2 Ga4\n1.0\n2.172102 -3.762192 0.000000\n2.172102 3.762192 0.000000\n0.000000 0.000000 7.065652\nMg Ga\n2 4\ndirect\n0.000000 0.000000 0.750000 Mg\n0.000000 0.000000 0.250000 Mg\n0.666667 0.333333 0.551265 Ga\n0.333333 0.666667 0.051265 Ga\n0.666667 0.333333 0.948735 Ga\n0.333333 0.666667 0.448735 Ga\n",
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"elements": [
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"density": 4.709335633335855,
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"formula_full": "Mg2 Ga4",
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},
{
"id": "mp-1216851",
"created_at": "2022-09-04T14:40:12.199166Z",
"structure_string": "V32 N3\n1.0\n0.000000 0.000000 2.988265\n8.659750 -0.050159 0.000000\n-0.100075 17.373721 0.000000\nV N\n32 3\ndirect\n0.500000 0.888317 0.056547 V\n0.500000 0.885226 0.557591 V\n0.500000 0.114774 0.442409 V\n0.500000 0.111683 0.943453 V\n0.000000 0.615521 0.308813 V\n0.000000 0.613272 0.805516 V\n0.000000 0.386728 0.194484 V\n0.000000 0.384479 0.691187 V\n0.500000 0.384769 0.063180 V\n0.500000 0.376093 0.561298 V\n0.500000 0.623907 0.438702 V\n0.500000 0.615231 0.936820 V\n0.000000 0.111209 0.316602 V\n0.000000 0.113496 0.811645 V\n0.000000 0.886504 0.188355 V\n0.000000 0.888791 0.683398 V\n0.500000 0.124144 0.193954 V\n0.500000 0.124589 0.686019 V\n0.500000 0.875411 0.313981 V\n0.500000 0.875856 0.806046 V\n0.000000 0.626780 0.057647 V\n0.000000 0.630929 0.554818 V\n0.000000 0.369071 0.445182 V\n0.000000 0.373220 0.942353 V\n0.500000 0.345359 0.329599 V\n0.500000 0.340423 0.827226 V\n0.500000 0.659577 0.172774 V\n0.500000 0.654641 0.670401 V\n0.000000 0.158671 0.079472 V\n0.000000 0.129944 0.564800 V\n0.000000 0.870056 0.435200 V\n0.000000 0.841329 0.920528 V\n0.500000 0.501501 0.250882 N\n0.500000 0.498499 0.749118 N\n0.000000 0.000000 0.000000 N\n",
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"spacegroup": 10
},
{
"id": "mp-554621",
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"structure_string": "K32 Fe16 F80\n1.0\n7.559761 0.000000 0.000000\n0.000000 13.058660 0.000000\n0.000000 0.000000 20.778143\nK Fe F\n32 16 80\ndirect\n0.677192 0.018973 0.492433 K\n0.677192 0.481027 0.992433 K\n0.014711 0.460963 0.663335 K\n0.651666 0.480769 0.506267 K\n0.667884 0.213865 0.750153 K\n0.325663 0.229053 0.584337 K\n0.814553 0.964774 0.661814 K\n0.507881 0.767744 0.082480 K\n0.151666 0.519231 0.493733 K\n0.166093 0.323549 0.250803 K\n0.151666 0.980769 0.993733 K\n0.177192 0.518973 0.007567 K\n0.825663 0.729053 0.915663 K\n0.666093 0.823549 0.249197 K\n0.814553 0.535226 0.161814 K\n0.314553 0.464774 0.838186 K\n0.007881 0.267744 0.417520 K\n0.167884 0.713865 0.749847 K\n0.507881 0.732256 0.582480 K\n0.166093 0.176451 0.750803 K\n0.014711 0.039037 0.163335 K\n0.177192 0.981027 0.507567 K\n0.651666 0.019231 0.006267 K\n0.514711 0.539037 0.336665 K\n0.325663 0.270947 0.084337 K\n0.514711 0.960963 0.836665 K\n0.666093 0.676451 0.749197 K\n0.667884 0.286135 0.250153 K\n0.167884 0.786135 0.249847 K\n0.314553 0.035226 0.338186 K\n0.007881 0.232256 0.917520 K\n0.825663 0.770947 0.415663 K\n0.493075 0.249821 0.921909 Fe\n0.328730 0.946333 0.672326 Fe\n0.332305 0.751365 0.422781 Fe\n0.500938 0.053180 0.171136 Fe\n0.500938 0.446820 0.671136 Fe\n0.832305 0.248635 0.577219 Fe\n0.000938 0.553180 0.328864 Fe\n0.332305 0.748635 0.922781 Fe\n0.493075 0.250179 0.421909 Fe\n0.828730 0.446333 0.827674 Fe\n0.993075 0.750179 0.078091 Fe\n0.828730 0.053667 0.327674 Fe\n0.832305 0.251365 0.077219 Fe\n0.993075 0.749821 0.578091 Fe\n0.328730 0.553667 0.172326 Fe\n0.000938 0.946820 0.828864 Fe\n0.472412 0.550177 0.096125 F\n0.457105 0.672584 0.202977 F\n0.990703 0.339367 0.030992 F\n0.389679 0.373449 0.960925 F\n0.846609 0.548704 0.402129 F\n0.171881 0.928434 0.752746 F\n0.163161 0.654296 0.126016 F\n0.477951 0.742290 0.347459 F\n0.834119 0.738998 0.149548 F\n0.170277 0.751228 0.502894 F\n0.869415 0.456100 0.277143 F\n0.690664 0.361105 0.109794 F\n0.841673 0.836724 0.027800 F\n0.163161 0.845704 0.626016 F\n0.957105 0.172584 0.297023 F\n0.334119 0.261002 0.850452 F\n0.624845 0.361213 0.386073 F\n0.876101 0.672418 0.296149 F\n0.876101 0.827582 0.796149 F\n0.670277 0.251228 0.997106 F\n0.941300 0.371465 0.539781 F\n0.967960 0.543544 0.778645 F\n0.190664 0.861105 0.390206 F\n0.889679 0.873449 0.539075 F\n0.341673 0.336724 0.472200 F\n0.477951 0.757710 0.847459 F\n0.170277 0.748772 0.002894 F\n0.346609 0.451296 0.597871 F\n0.124845 0.861213 0.113927 F\n0.490703 0.839367 0.469008 F\n0.441300 0.628535 0.460219 F\n0.457105 0.827416 0.702977 F\n0.674192 0.947413 0.357853 F\n0.841673 0.663276 0.527800 F\n0.671881 0.071566 0.247254 F\n0.346609 0.048704 0.097871 F\n0.663161 0.154296 0.373984 F\n0.869415 0.043900 0.777143 F\n0.376101 0.172418 0.203851 F\n0.834119 0.761002 0.649548 F\n0.190664 0.638895 0.890206 F\n0.655561 0.154335 0.120099 F\n0.652701 0.947442 0.138435 F\n0.124845 0.638787 0.613927 F\n0.472412 0.949823 0.596125 F\n0.846609 0.951296 0.902129 F\n0.467960 0.043544 0.721355 F\n0.967960 0.956456 0.278645 F\n0.889679 0.626551 0.039075 F\n0.155561 0.845665 0.879901 F\n0.655561 0.345665 0.620099 F\n0.663161 0.345704 0.873984 F\n0.670277 0.248772 0.497106 F\n0.369415 0.956100 0.222857 F\n0.467960 0.456456 0.221355 F\n0.341673 0.163276 0.972200 F\n0.334119 0.238998 0.350452 F\n0.389679 0.126551 0.460925 F\n0.652701 0.552558 0.638435 F\n0.972412 0.050177 0.403875 F\n0.174192 0.447413 0.142147 F\n0.490703 0.660633 0.969008 F\n0.171881 0.571566 0.252746 F\n0.957105 0.327416 0.797023 F\n0.674192 0.552587 0.857853 F\n0.990703 0.160633 0.530992 F\n0.671881 0.428434 0.747254 F\n0.624845 0.138787 0.886073 F\n0.977951 0.242290 0.152541 F\n0.972412 0.449823 0.903875 F\n0.941300 0.128535 0.039781 F\n0.376101 0.327582 0.703851 F\n0.441300 0.871465 0.960219 F\n0.152701 0.447442 0.361565 F\n0.690664 0.138895 0.609794 F\n0.977951 0.257710 0.652541 F\n0.155561 0.654335 0.379901 F\n0.369415 0.543900 0.722857 F\n0.152701 0.052558 0.861565 F\n0.174192 0.052587 0.642147 F\n",
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},
{
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"structure_string": "Cd2 Rh4 O8\n1.0\n0.000000 4.463421 4.463421\n4.463421 0.000000 4.463421\n4.463421 4.463421 0.000000\nCd Rh O\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.625000 0.625000 0.125000 Rh\n0.625000 0.125000 0.625000 Rh\n0.125000 0.625000 0.625000 Rh\n0.625000 0.625000 0.625000 Rh\n0.856536 0.856536 0.430393 O\n0.856536 0.430393 0.856536 O\n0.430393 0.856536 0.856536 O\n0.856536 0.856536 0.856536 O\n0.393464 0.393464 0.819607 O\n0.393464 0.819607 0.393464 O\n0.819607 0.393464 0.393464 O\n0.393464 0.393464 0.393464 O\n",
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{
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"structure_string": "Li4 Mn6 Se8 O24\n1.0\n-7.699992 0.000000 0.000000\n3.750825 7.680709 0.000000\n-0.354830 -3.110052 -10.341092\nLi Mn Se O\n4 6 8 24\ndirect\n0.751193 0.543792 0.929597 Li\n0.648386 0.545090 0.415733 Li\n0.351614 0.454910 0.584267 Li\n0.248807 0.456208 0.070403 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.938855 0.283956 0.783243 Mn\n0.945431 0.625915 0.673326 Mn\n0.054569 0.374085 0.326674 Mn\n0.061145 0.716044 0.216757 Mn\n0.712177 0.212237 0.479145 Se\n0.726944 0.245791 0.067155 Se\n0.676711 0.741181 0.204483 Se\n0.680432 0.817853 0.729870 Se\n0.319568 0.182147 0.270130 Se\n0.323289 0.258819 0.795517 Se\n0.273056 0.754209 0.932845 Se\n0.287823 0.787763 0.520855 Se\n0.902393 0.160624 0.427483 O\n0.958217 0.409712 0.151799 O\n0.751323 0.049269 0.025127 O\n0.785758 0.336211 0.640639 O\n0.740578 0.299391 0.923151 O\n0.778300 0.384190 0.407144 O\n0.868380 0.814232 0.813272 O\n0.857024 0.749636 0.096299 O\n0.808106 0.739611 0.336359 O\n0.642915 0.628887 0.604045 O\n0.799158 0.993506 0.659457 O\n0.490229 0.478410 0.846608 O\n0.509771 0.521590 0.153392 O\n0.200842 0.006494 0.340543 O\n0.357085 0.371113 0.395955 O\n0.191894 0.260389 0.663641 O\n0.142976 0.250364 0.903701 O\n0.131620 0.185768 0.186728 O\n0.221700 0.615810 0.592856 O\n0.259422 0.700609 0.076849 O\n0.214242 0.663789 0.359361 O\n0.248677 0.950731 0.974873 O\n0.041783 0.590288 0.848201 O\n0.097607 0.839376 0.572517 O\n",
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