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{
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"results": [
{
"id": "mp-19407",
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"structure_string": "Mn2 W2 O8\n1.0\n4.885330 -0.024395 0.000000\n-0.120351 5.116692 0.000000\n0.000000 0.000000 5.853408\nMn W O\n2 2 8\ndirect\n0.500000 0.250000 0.673582 Mn\n0.500000 0.750000 0.326422 Mn\n0.000000 0.250000 0.172030 W\n0.000000 0.750000 0.827969 W\n0.746672 0.106968 0.371062 O\n0.253328 0.393032 0.371062 O\n0.253328 0.893032 0.628937 O\n0.746672 0.606968 0.628937 O\n0.790125 0.061366 0.895162 O\n0.209875 0.438634 0.895162 O\n0.209875 0.938634 0.104837 O\n0.790125 0.561366 0.104837 O\n",
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{
"id": "mp-754330",
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"structure_string": "Li8 Mn4 Sn4 O16\n1.0\n5.324377 -1.712974 2.638447\n1.766981 8.779013 5.361310\n-5.324376 -1.564833 2.728914\nLi Mn Sn O\n8 4 4 16\ndirect\n0.249999 0.500005 0.749997 Li\n0.750003 0.500005 0.250002 Li\n0.499997 0.999998 0.499998 Li\n0.000002 0.999998 0.000004 Li\n0.374998 0.750001 0.125003 Li\n0.875002 0.750001 0.624998 Li\n0.625000 0.250001 0.875000 Li\n0.125000 0.250001 0.375000 Li\n0.999974 0.999990 0.500007 Mn\n0.249999 0.499992 0.249959 Mn\n0.500021 0.999986 0.000020 Mn\n0.750005 0.500010 0.749995 Mn\n0.875005 0.750000 0.125007 Sn\n0.374997 0.750001 0.624996 Sn\n0.125004 0.249999 0.875008 Sn\n0.625006 0.249999 0.375003 Sn\n0.799262 0.131541 0.200759 O\n0.299241 0.131541 0.700739 O\n0.049259 0.631539 0.950765 O\n0.549236 0.631537 0.450738 O\n0.200737 0.868463 0.799238 O\n0.700762 0.868464 0.299261 O\n0.450738 0.368460 0.549243 O\n0.950755 0.368459 0.049260 O\n0.687215 0.866476 0.812787 O\n0.187208 0.866483 0.312789 O\n0.937211 0.366475 0.562788 O\n0.437209 0.366478 0.062792 O\n0.312788 0.133527 0.187213 O\n0.812792 0.133524 0.687211 O\n0.562787 0.633527 0.937213 O\n0.062789 0.633518 0.437209 O\n",
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],
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"formula_full": "Li8 Mn4 Sn4 O16",
"formula_reduced": "Li2MnSnO4",
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"energy": -215.17862266,
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"spacegroup": 10
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{
"id": "mp-770546",
"created_at": "2022-09-04T14:39:20.508607Z",
"structure_string": "Li8 Mn8 P8 O28 F8\n1.0\n6.774939 0.000000 0.000000\n0.000000 10.495000 0.000000\n0.000000 0.000000 11.259357\nLi Mn P O F\n8 8 8 28 8\ndirect\n0.519773 0.028109 0.789940 Li\n0.480227 0.471891 0.789940 Li\n0.980227 0.528109 0.710060 Li\n0.019773 0.971891 0.710060 Li\n0.980227 0.028109 0.289940 Li\n0.019773 0.471891 0.289940 Li\n0.519773 0.528109 0.210060 Li\n0.480227 0.971891 0.210060 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.250000 0.830788 Mn\n0.500000 0.750000 0.669212 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.250000 0.330788 Mn\n0.000000 0.750000 0.169212 Mn\n0.282813 0.749682 0.922563 P\n0.717187 0.750318 0.922563 P\n0.217187 0.249682 0.577437 P\n0.782813 0.250318 0.577437 P\n0.217187 0.749682 0.422563 P\n0.782813 0.750318 0.422563 P\n0.282813 0.249682 0.077437 P\n0.717187 0.250318 0.077437 P\n0.166397 0.325210 0.983358 O\n0.833603 0.174790 0.983358 O\n0.500000 0.750000 0.984355 O\n0.224361 0.609519 0.908174 O\n0.775639 0.890481 0.908174 O\n0.296701 0.820473 0.802928 O\n0.703299 0.679527 0.802928 O\n0.203299 0.320473 0.697072 O\n0.796701 0.179527 0.697072 O\n0.275639 0.109519 0.591826 O\n0.724361 0.390481 0.591826 O\n0.000000 0.250000 0.515645 O\n0.666397 0.674790 0.516642 O\n0.333603 0.825210 0.516642 O\n0.333603 0.325210 0.483358 O\n0.666397 0.174790 0.483358 O\n0.000000 0.750000 0.484355 O\n0.275639 0.609519 0.408174 O\n0.724361 0.890481 0.408174 O\n0.796701 0.679527 0.302928 O\n0.203299 0.820473 0.302928 O\n0.296701 0.320473 0.197072 O\n0.703299 0.179527 0.197072 O\n0.224361 0.109519 0.091826 O\n0.775639 0.390481 0.091826 O\n0.500000 0.250000 0.015645 O\n0.166397 0.825210 0.016642 O\n0.833603 0.674790 0.016642 O\n0.128106 0.063777 0.834024 F\n0.871894 0.436223 0.834024 F\n0.371894 0.563777 0.665976 F\n0.628106 0.936223 0.665976 F\n0.371894 0.063777 0.334024 F\n0.628106 0.436223 0.334024 F\n0.128106 0.563777 0.165976 F\n0.871894 0.936223 0.165976 F\n",
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"O",
"F"
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"density": 2.7852020494027485,
"density_atomic": 0.07494623640998684,
"volume": 800.5738896850703,
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"formula_full": "Li8 Mn8 P8 O28 F8",
"formula_reduced": "Li2Mn2P2O7F2",
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"energy": -444.25720361,
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"updated_at": "2021-11-28T01:34:28.715000Z",
"spacegroup": 60
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{
"id": "mp-561246",
"created_at": "2022-09-04T14:40:07.008469Z",
"structure_string": "Al8 Si8 Pb8 O36\n1.0\n6.971686 0.000000 0.000000\n0.000000 9.867202 0.000000\n0.000000 0.000000 10.845604\nAl Si Pb O\n8 8 8 36\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.250000 0.853576 Al\n0.000000 0.250000 0.353576 Al\n0.500000 0.750000 0.146424 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.750000 0.646424 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.716995 0.251315 0.588256 Si\n0.216995 0.248685 0.088256 Si\n0.283005 0.748685 0.411744 Si\n0.216995 0.748685 0.911744 Si\n0.716995 0.751315 0.411744 Si\n0.283005 0.248685 0.588256 Si\n0.783005 0.751315 0.911744 Si\n0.783005 0.251315 0.088256 Si\n0.049739 0.548970 0.196164 Pb\n0.049739 0.048970 0.803836 Pb\n0.450261 0.048970 0.303836 Pb\n0.549739 0.951030 0.696164 Pb\n0.950261 0.951030 0.196164 Pb\n0.549739 0.451030 0.303836 Pb\n0.950261 0.451030 0.803836 Pb\n0.450261 0.548970 0.696164 Pb\n0.692464 0.903716 0.894285 O\n0.390862 0.577846 0.140747 O\n0.307536 0.596284 0.894285 O\n0.609138 0.422154 0.859253 O\n0.500000 0.750000 0.477391 O\n0.890862 0.422154 0.359253 O\n0.347473 0.836837 0.007230 O\n0.307536 0.096284 0.105715 O\n0.684780 0.183822 0.725954 O\n0.184780 0.816178 0.774046 O\n0.347473 0.336837 0.992770 O\n0.152527 0.836837 0.507230 O\n0.109138 0.077846 0.359253 O\n0.847473 0.663163 0.507230 O\n0.684780 0.683822 0.274046 O\n0.315220 0.316178 0.725954 O\n0.192464 0.096284 0.605715 O\n0.315220 0.816178 0.274046 O\n0.184780 0.316178 0.225954 O\n0.390862 0.077846 0.859253 O\n0.000000 0.750000 0.977391 O\n0.890862 0.922154 0.640747 O\n0.847473 0.163163 0.492770 O\n0.109138 0.577846 0.640747 O\n0.807536 0.403716 0.605715 O\n0.152527 0.336837 0.492770 O\n0.609138 0.922154 0.140747 O\n0.192464 0.596284 0.394285 O\n0.692464 0.403716 0.105715 O\n0.815220 0.683822 0.774046 O\n0.807536 0.903716 0.394285 O\n0.652527 0.163163 0.992770 O\n0.652527 0.663163 0.007230 O\n0.000000 0.250000 0.022609 O\n0.815220 0.183822 0.225954 O\n0.500000 0.250000 0.522609 O\n",
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"O"
],
"chemical_system": "Al-O-Pb-Si",
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"volume": 746.0803139762551,
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"formula_full": "Al8 Si8 Pb8 O36",
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"energy": -453.64920222,
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"spacegroup": 60
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{
"id": "mp-625632",
"created_at": "2022-09-04T14:39:21.052911Z",
"structure_string": "H36 Br4 O16\n1.0\n11.332273 0.000000 0.000000\n0.000000 7.227616 0.000000\n0.000000 2.735215 7.466590\nH Br O\n36 4 16\ndirect\n0.681954 0.659637 0.049162 H\n0.819327 0.653198 0.083980 H\n0.181954 0.340363 0.950838 H\n0.319327 0.346802 0.916020 H\n0.828127 0.053769 0.129214 H\n0.747663 0.924971 0.037777 H\n0.328127 0.946231 0.870786 H\n0.247663 0.075029 0.962223 H\n0.748330 0.193214 0.946171 H\n0.746837 0.336191 0.683785 H\n0.818223 0.445435 0.793583 H\n0.318223 0.554565 0.206417 H\n0.248330 0.806786 0.053829 H\n0.246837 0.663809 0.316215 H\n0.681635 0.313002 0.422491 H\n0.818294 0.361324 0.415408 H\n0.181635 0.686998 0.577509 H\n0.318294 0.638676 0.584592 H\n0.853856 0.872272 0.479778 H\n0.769601 0.024521 0.522979 H\n0.353856 0.127728 0.520222 H\n0.269601 0.975479 0.477021 H\n0.597134 0.649065 0.393421 H\n0.680278 0.810086 0.479332 H\n0.097134 0.350935 0.606579 H\n0.180278 0.189914 0.520668 H\n0.489979 0.558193 0.730316 H\n0.453106 0.358146 0.708594 H\n0.953106 0.641854 0.291406 H\n0.989979 0.441807 0.269684 H\n0.493816 0.009306 0.068693 H\n0.395902 0.017674 0.208280 H\n0.550363 0.871404 0.341146 H\n0.895902 0.982326 0.791720 H\n0.993816 0.990694 0.931307 H\n0.050363 0.128596 0.658854 H\n0.497728 0.033281 0.754952 Br\n0.997728 0.966719 0.245048 Br\n0.535812 0.476851 0.235738 Br\n0.035812 0.523149 0.764262 Br\n0.755902 0.736842 0.010220 O\n0.255902 0.263158 0.989780 O\n0.750424 0.060079 0.064466 O\n0.250424 0.939921 0.935534 O\n0.746021 0.367893 0.797325 O\n0.246021 0.632107 0.202675 O\n0.756206 0.274304 0.492476 O\n0.256206 0.725696 0.507524 O\n0.779403 0.880905 0.541918 O\n0.279403 0.119095 0.458082 O\n0.595976 0.761806 0.441938 O\n0.095976 0.238194 0.558062 O\n0.421284 0.478981 0.726064 O\n0.921284 0.521019 0.273936 O\n0.480209 0.004806 0.193049 O\n0.980209 0.995194 0.806951 O\n",
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],
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"volume": 611.5534257210345,
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"formula_full": "H36 Br4 O16",
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"spacegroup": 4
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{
"id": "mp-23979",
"created_at": "2022-09-04T14:39:18.091407Z",
"structure_string": "K6 H2 Se4 O16\n1.0\n3.013063 7.682425 0.000000\n-3.013063 7.682425 0.000000\n0.000000 2.418318 10.058906\nK H Se O\n6 2 4 16\ndirect\n0.757195 0.242805 0.250000 K\n0.242805 0.757195 0.750000 K\n0.538966 0.071692 0.652036 K\n0.928308 0.461034 0.847964 K\n0.071692 0.538966 0.152036 K\n0.461034 0.928308 0.347964 K\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.112368 0.655088 0.461339 Se\n0.344912 0.887632 0.038661 Se\n0.887632 0.344912 0.538661 Se\n0.655088 0.112368 0.961339 Se\n0.411205 0.334427 0.881392 O\n0.665573 0.588795 0.618608 O\n0.588795 0.665573 0.118608 O\n0.334427 0.411205 0.381392 O\n0.594426 0.095591 0.125275 O\n0.904409 0.405574 0.374725 O\n0.405574 0.904409 0.874725 O\n0.095591 0.594426 0.625275 O\n0.850565 0.832208 0.399673 O\n0.167793 0.149435 0.100327 O\n0.149435 0.167793 0.600327 O\n0.832207 0.850565 0.899673 O\n0.169623 0.824896 0.438475 O\n0.175104 0.830377 0.061525 O\n0.830377 0.175104 0.561525 O\n0.824896 0.169623 0.938475 O\n",
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{
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"structure_string": "Ba2 Nd1 Sb1 O6\n1.0\n0.000000 4.339711 4.339711\n4.339711 0.000000 4.339711\n4.339711 4.339711 0.000000\nBa Nd Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sb\n0.767627 0.767627 0.232373 O\n0.767627 0.232373 0.767627 O\n0.232373 0.767627 0.232373 O\n0.767627 0.232373 0.232373 O\n0.232373 0.232373 0.767627 O\n0.232373 0.767627 0.767627 O\n",
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{
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