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{
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"results": [
{
"id": "mp-1031131",
"created_at": "2022-09-04T14:40:34.570817Z",
"structure_string": "Li1 Mg6 Sb1 O8\n1.0\n8.792521 0.000000 0.000000\n-0.000000 4.386692 0.000000\n0.000000 0.000000 4.386692\nLi Mg Sb O\n1 6 1 8\ndirect\n0.000000 -0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.226595 0.000000 0.500000 Mg\n0.773405 -0.000000 0.500000 Mg\n0.226595 0.500000 -0.000000 Mg\n0.773405 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Sb\n0.243332 -0.000000 -0.000000 O\n0.756668 0.000000 0.000000 O\n0.254082 0.500000 0.500000 O\n0.745918 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",
"nsites": 16,
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"elements": [
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"Sb",
"O"
],
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"density": 3.9505317027156726,
"density_atomic": 0.09456540418513994,
"volume": 169.1950680893325,
"volume_molar": 6.3682282245734045,
"formula_full": "Li1 Mg6 Sb1 O8",
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"formula_anonymous": "ABC6D8",
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"spacegroup": 123
},
{
"id": "mp-1200615",
"created_at": "2022-09-04T14:40:34.620505Z",
"structure_string": "Li16 Zn4 P8 O32\n1.0\n10.393518 0.000000 0.000000\n0.000000 8.210081 0.000000\n0.000000 2.084558 7.946320\nLi Zn P O\n16 4 8 32\ndirect\n0.506574 0.657056 0.091382 Li\n0.006574 0.342944 0.908618 Li\n0.684175 0.656555 0.590835 Li\n0.184175 0.343445 0.409165 Li\n0.008022 0.598778 0.152383 Li\n0.508022 0.401222 0.847617 Li\n0.181630 0.604626 0.648352 Li\n0.681630 0.395374 0.351648 Li\n0.997295 0.849436 0.403647 Li\n0.497295 0.150564 0.596353 Li\n0.194321 0.850387 0.899582 Li\n0.694321 0.149613 0.100418 Li\n0.267941 0.515621 0.985076 Li\n0.767941 0.484379 0.014924 Li\n0.917626 0.522009 0.476009 Li\n0.417626 0.477991 0.523991 Li\n0.500703 0.908067 0.340276 Zn\n0.000703 0.091933 0.659724 Zn\n0.688507 0.910282 0.840945 Zn\n0.188507 0.089718 0.159055 Zn\n0.253347 0.711815 0.275927 P\n0.753347 0.288185 0.724073 P\n0.936759 0.708624 0.778559 P\n0.436759 0.291376 0.221441 P\n0.752520 0.768999 0.214881 P\n0.252520 0.231001 0.785119 P\n0.438936 0.769272 0.714286 P\n0.938936 0.230728 0.285714 P\n0.449908 0.930488 0.564403 O\n0.949908 0.069512 0.435597 O\n0.744396 0.929556 0.064182 O\n0.244396 0.070444 0.935818 O\n0.397244 0.760149 0.235178 O\n0.897244 0.239851 0.764822 O\n0.790801 0.751294 0.747055 O\n0.290801 0.248706 0.252945 O\n0.298441 0.726230 0.770411 O\n0.798441 0.273770 0.229589 O\n0.893228 0.726428 0.271475 O\n0.393228 0.273572 0.728525 O\n0.246756 0.562821 0.436061 O\n0.746756 0.437179 0.563939 O\n0.947520 0.560230 0.938273 O\n0.447520 0.439770 0.061727 O\n0.192460 0.663238 0.122463 O\n0.692460 0.336762 0.877537 O\n0.993818 0.659809 0.622424 O\n0.493818 0.340191 0.377576 O\n0.178507 0.863036 0.314231 O\n0.678507 0.136964 0.685769 O\n0.012516 0.861830 0.810356 O\n0.512516 0.138170 0.189644 O\n0.689567 0.617494 0.163209 O\n0.189567 0.382506 0.836791 O\n0.500995 0.618998 0.658801 O\n0.000995 0.381002 0.341199 O\n0.675881 0.807950 0.364174 O\n0.175881 0.192050 0.635826 O\n0.515306 0.805900 0.864582 O\n0.015306 0.194100 0.135418 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Li",
"Zn",
"P",
"O"
],
"chemical_system": "Li-O-P-Zn",
"density": 2.773301040430682,
"density_atomic": 0.08848612683077044,
"volume": 678.0723956281859,
"volume_molar": 6.80574568657224,
"formula_full": "Li16 Zn4 P8 O32",
"formula_reduced": "Li4Zn(PO4)2",
"formula_anonymous": "AB2C4D8",
"energy": -397.23982115,
"energy_per_atom": -6.620663685833334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:59.931000Z",
"spacegroup": 4
},
{
"id": "mp-29123",
"created_at": "2022-09-04T14:40:28.428460Z",
"structure_string": "Se16 Br24 N8\n1.0\n8.737416 0.000000 0.000000\n0.000000 12.766517 0.000000\n0.000000 0.000000 14.837161\nSe Br N\n16 24 8\ndirect\n0.151626 0.581834 0.134219 Se\n0.989210 0.365168 0.609926 Se\n0.989210 0.865168 0.890074 Se\n0.010790 0.365168 0.109926 Se\n0.010790 0.865168 0.390074 Se\n0.518151 0.538848 0.873011 Se\n0.518151 0.038848 0.626989 Se\n0.481849 0.538848 0.373011 Se\n0.343986 0.147554 0.962955 Se\n0.656014 0.647554 0.037045 Se\n0.656014 0.147554 0.462955 Se\n0.343986 0.647554 0.537045 Se\n0.848374 0.081834 0.865781 Se\n0.848374 0.581834 0.634219 Se\n0.151626 0.081834 0.365781 Se\n0.481849 0.038848 0.126989 Se\n0.743028 0.330391 0.087373 Br\n0.256972 0.830391 0.912627 Br\n0.256972 0.330391 0.587373 Br\n0.743028 0.830391 0.412627 Br\n0.321280 0.404645 0.138371 Br\n0.678720 0.904645 0.861629 Br\n0.678720 0.404645 0.638371 Br\n0.321280 0.904645 0.361629 Br\n0.998895 0.744601 0.137982 Br\n0.001105 0.244601 0.862018 Br\n0.001105 0.744601 0.637982 Br\n0.998895 0.244601 0.362018 Br\n0.170640 0.585411 0.395185 Br\n0.829360 0.085411 0.604815 Br\n0.829360 0.585411 0.895185 Br\n0.170640 0.085411 0.104815 Br\n0.497313 0.713781 0.664452 Br\n0.502687 0.213781 0.335548 Br\n0.502687 0.713781 0.164452 Br\n0.497313 0.213781 0.835548 Br\n0.749016 0.502470 0.350805 Br\n0.250984 0.002470 0.649195 Br\n0.250984 0.502470 0.850805 Br\n0.749016 0.002470 0.149195 Br\n0.987510 0.002599 0.382948 N\n0.012490 0.502599 0.617052 N\n0.012490 0.002599 0.882948 N\n0.987510 0.502599 0.117052 N\n0.493071 0.099097 0.520746 N\n0.493071 0.599097 0.979254 N\n0.506929 0.099097 0.020746 N\n0.506929 0.599097 0.479254 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Se",
"Br",
"N"
],
"chemical_system": "Br-N-Se",
"density": 3.3040684176292965,
"density_atomic": 0.029002470027978806,
"volume": 1655.031449172922,
"volume_molar": 20.764234060721087,
"formula_full": "Se16 Br24 N8",
"formula_reduced": "Se2Br3N",
"formula_anonymous": "AB2C3",
"energy": -170.45418528000002,
"energy_per_atom": -3.5511288600000004,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -154.75018528,
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"updated_at": "2021-11-28T01:35:01.004000Z",
"spacegroup": 29
},
{
"id": "mp-559715",
"created_at": "2022-09-04T14:40:32.147755Z",
"structure_string": "Li8 Cd4 P16 O48\n1.0\n9.528296 0.000000 0.000000\n0.000000 9.655575 0.000000\n0.000000 0.000000 10.334208\nLi Cd P O\n8 4 16 48\ndirect\n0.105290 0.497261 0.323360 Li\n0.894710 0.502739 0.676640 Li\n0.894710 0.002739 0.823360 Li\n0.105290 0.997261 0.176640 Li\n0.394710 0.997261 0.176640 Li\n0.605290 0.002739 0.823360 Li\n0.605290 0.502739 0.676640 Li\n0.394710 0.497261 0.323360 Li\n0.250000 0.488463 0.693631 Cd\n0.750000 0.511537 0.306369 Cd\n0.250000 0.988463 0.806369 Cd\n0.750000 0.011537 0.193631 Cd\n0.750000 0.303822 0.900004 P\n0.531531 0.792912 0.388062 P\n0.468469 0.707088 0.888062 P\n0.750000 0.803822 0.599996 P\n0.750000 0.230120 0.484681 P\n0.250000 0.269880 0.984681 P\n0.250000 0.696178 0.099996 P\n0.531531 0.292912 0.111938 P\n0.968469 0.292912 0.111938 P\n0.250000 0.769880 0.515319 P\n0.031531 0.707088 0.888062 P\n0.750000 0.730120 0.015319 P\n0.031531 0.207088 0.611938 P\n0.468469 0.207088 0.611938 P\n0.968469 0.792912 0.388062 P\n0.250000 0.196178 0.400004 P\n0.374986 0.831438 0.428349 O\n0.374986 0.331438 0.071651 O\n0.250000 0.613462 0.508085 O\n0.559756 0.884420 0.272822 O\n0.750000 0.886538 0.008085 O\n0.451583 0.362066 0.623043 O\n0.451583 0.862066 0.876957 O\n0.750000 0.899411 0.714167 O\n0.874986 0.668562 0.928349 O\n0.951583 0.637934 0.376957 O\n0.881678 0.850126 0.510690 O\n0.750000 0.161893 0.356080 O\n0.048417 0.362066 0.623043 O\n0.059756 0.615580 0.772822 O\n0.048417 0.862066 0.876957 O\n0.250000 0.338107 0.856080 O\n0.625014 0.668562 0.928349 O\n0.059756 0.115580 0.727178 O\n0.750000 0.386538 0.491915 O\n0.118322 0.149874 0.489310 O\n0.125014 0.331438 0.071651 O\n0.940244 0.384420 0.227178 O\n0.625014 0.168562 0.571651 O\n0.250000 0.100589 0.285833 O\n0.381678 0.649874 0.010690 O\n0.951583 0.137934 0.123043 O\n0.881678 0.350126 0.989310 O\n0.750000 0.649943 0.620403 O\n0.559756 0.384420 0.227178 O\n0.940244 0.884420 0.272822 O\n0.250000 0.838107 0.643920 O\n0.250000 0.600589 0.214167 O\n0.548417 0.637934 0.376957 O\n0.381678 0.149874 0.489310 O\n0.250000 0.113462 0.991915 O\n0.125014 0.831438 0.428349 O\n0.750000 0.661893 0.143920 O\n0.440244 0.115580 0.727178 O\n0.118322 0.649874 0.010690 O\n0.874986 0.168562 0.571651 O\n0.750000 0.149943 0.879597 O\n0.618322 0.850126 0.510690 O\n0.440244 0.615580 0.772822 O\n0.250000 0.350057 0.379597 O\n0.250000 0.850057 0.120403 O\n0.618322 0.350126 0.989310 O\n0.750000 0.399411 0.785833 O\n0.548417 0.137934 0.123043 O\n",
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"elements": [
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"P",
"O"
],
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"density": 3.089146015779801,
"density_atomic": 0.07993611036978081,
"volume": 950.75929574791,
"volume_molar": 7.5336925103583985,
"formula_full": "Li8 Cd4 P16 O48",
"formula_reduced": "Li2Cd(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -538.8457390799999,
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"spacegroup": 62
},
{
"id": "mp-757345",
"created_at": "2022-09-04T14:40:32.501019Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000126 0.000018 6.021928\n7.828512 0.000404 -0.000161\n-3.913952 7.755305 0.000106\nLi Mn P O\n4 4 4 16\ndirect\n0.765098 0.263903 0.530160 Li\n0.265050 0.266567 0.530203 Li\n0.265050 0.733453 0.469806 Li\n0.765094 0.736088 0.469832 Li\n0.013763 0.290318 0.193220 Mn\n0.013711 0.709736 0.806806 Mn\n0.513785 0.097096 0.806605 Mn\n0.513777 0.902845 0.193380 Mn\n0.017115 0.077842 0.741720 P\n0.517070 0.663992 0.741901 P\n0.517100 0.336005 0.258100 P\n0.017110 0.922161 0.258279 P\n0.023852 0.137570 0.935294 O\n0.523819 0.202193 0.064537 O\n0.523844 0.797820 0.935463 O\n0.023854 0.862440 0.064707 O\n0.801239 0.152519 0.693899 O\n0.301146 0.541552 0.694074 O\n0.301206 0.458477 0.305963 O\n0.801227 0.847476 0.306094 O\n0.230601 0.150644 0.688989 O\n0.730552 0.538481 0.689170 O\n0.730600 0.461506 0.310816 O\n0.230573 0.849326 0.310993 O\n0.514942 0.207486 0.356095 O\n0.014944 0.148657 0.356170 O\n0.014917 0.851345 0.643828 O\n0.514927 0.792502 0.643898 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 2.8495072440171114,
"density_atomic": 0.07658312042651329,
"volume": 365.61581513080165,
"volume_molar": 7.863535367142233,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -217.3730283,
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"updated_at": "2021-11-28T01:35:06.237000Z",
"spacegroup": 37
},
{
"id": "mp-707105",
"created_at": "2022-09-04T14:40:32.933307Z",
"structure_string": "Li12 B20 H8 O40\n1.0\n6.924984 0.000000 0.000000\n0.000000 6.924984 0.000000\n0.000000 0.000000 14.688275\nLi B H O\n12 20 8 40\ndirect\n0.632110 0.349351 0.343603 Li\n0.367890 0.650649 0.843603 Li\n0.849351 0.867890 0.093603 Li\n0.150649 0.132110 0.593603 Li\n0.650649 0.367890 0.156397 Li\n0.349351 0.632110 0.656397 Li\n0.867890 0.849351 0.906397 Li\n0.132110 0.150649 0.406397 Li\n0.804849 0.195151 0.750000 Li\n0.195151 0.804849 0.250000 Li\n0.695151 0.695151 0.500000 Li\n0.304849 0.304849 0.000000 Li\n0.745422 0.238223 0.522156 B\n0.254578 0.761777 0.022156 B\n0.738223 0.754578 0.272156 B\n0.261777 0.245422 0.772156 B\n0.761777 0.254578 0.977844 B\n0.238223 0.745422 0.477844 B\n0.754578 0.738223 0.727844 B\n0.245422 0.261777 0.227844 B\n0.505719 0.244732 0.642643 B\n0.494281 0.755268 0.142643 B\n0.744732 0.994281 0.392643 B\n0.255268 0.005719 0.892643 B\n0.755268 0.494281 0.857357 B\n0.244732 0.505719 0.357357 B\n0.994281 0.744732 0.607357 B\n0.005719 0.255268 0.107357 B\n0.062867 0.937133 0.750000 B\n0.937133 0.062867 0.250000 B\n0.437133 0.437133 0.500000 B\n0.562867 0.562867 0.000000 B\n0.900475 0.509031 0.267246 H\n0.099525 0.490969 0.767246 H\n0.009031 0.599525 0.017246 H\n0.990969 0.400475 0.517246 H\n0.490969 0.099525 0.232754 H\n0.509031 0.900475 0.732754 H\n0.599525 0.009031 0.982754 H\n0.400475 0.990969 0.482754 H\n0.642985 0.403244 0.480623 O\n0.357015 0.596756 0.980623 O\n0.903244 0.857015 0.230623 O\n0.096756 0.142985 0.730623 O\n0.596756 0.357015 0.019377 O\n0.403244 0.642985 0.519377 O\n0.857015 0.903244 0.769377 O\n0.142985 0.096756 0.269377 O\n0.687596 0.050674 0.478033 O\n0.312404 0.949326 0.978033 O\n0.550674 0.812404 0.228033 O\n0.449326 0.187596 0.728033 O\n0.949326 0.312404 0.021967 O\n0.050674 0.687596 0.521967 O\n0.812404 0.550674 0.771967 O\n0.187596 0.449326 0.271967 O\n0.957038 0.262632 0.512327 O\n0.042962 0.737368 0.012327 O\n0.762632 0.542962 0.262327 O\n0.237368 0.457038 0.762327 O\n0.737368 0.042962 0.987673 O\n0.262632 0.957038 0.487673 O\n0.542962 0.762632 0.737673 O\n0.457038 0.237368 0.237673 O\n0.824507 0.126554 0.332117 O\n0.175493 0.873446 0.832117 O\n0.626554 0.675493 0.082117 O\n0.373446 0.324507 0.582117 O\n0.873446 0.175493 0.167883 O\n0.126554 0.824507 0.667883 O\n0.675493 0.626554 0.917883 O\n0.324507 0.373446 0.417883 O\n0.695100 0.219187 0.619912 O\n0.304900 0.780813 0.119912 O\n0.719187 0.804900 0.369912 O\n0.280813 0.195100 0.869912 O\n0.780813 0.304900 0.880088 O\n0.219187 0.695100 0.380088 O\n0.804900 0.719187 0.630088 O\n0.195100 0.280813 0.130088 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"B",
"H",
"O"
],
"chemical_system": "B-H-Li-O",
"density": 2.2337963989367773,
"density_atomic": 0.11357471178539987,
"volume": 704.3821528788953,
"volume_molar": 5.302360591835684,
"formula_full": "Li12 B20 H8 O40",
"formula_reduced": "Li3B5(HO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -587.6707304600001,
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"spacegroup": 92
},
{
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]
}