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"results": [
{
"id": "mp-698381",
"created_at": "2022-09-04T14:39:13.050918Z",
"structure_string": "H48 Ru4 C16 S8 N8 Cl8 O20\n1.0\n13.782772 0.000000 0.000000\n0.000000 9.007865 0.000000\n0.000000 2.734469 11.697517\nH Ru C S N Cl O\n48 4 16 8 8 8 20\ndirect\n0.595644 0.911696 0.672312 H\n0.095644 0.088304 0.827688 H\n0.404356 0.088304 0.327688 H\n0.904356 0.911696 0.172312 H\n0.587750 0.828401 0.550429 H\n0.087750 0.171599 0.949571 H\n0.412250 0.171599 0.449571 H\n0.912250 0.828401 0.050429 H\n0.678783 0.760184 0.659372 H\n0.178783 0.239816 0.840628 H\n0.321217 0.239816 0.340628 H\n0.821217 0.760184 0.159372 H\n0.548561 0.751157 0.888334 H\n0.048561 0.248843 0.611666 H\n0.451439 0.248843 0.111666 H\n0.951439 0.751157 0.388334 H\n0.646921 0.635573 0.855323 H\n0.146921 0.364427 0.644677 H\n0.353079 0.364427 0.144677 H\n0.853079 0.635573 0.355323 H\n0.534181 0.547939 0.912642 H\n0.034181 0.452061 0.587358 H\n0.465819 0.452061 0.087358 H\n0.965819 0.547939 0.412642 H\n0.814892 0.194817 0.799276 H\n0.314892 0.805183 0.700724 H\n0.185108 0.805183 0.200724 H\n0.685108 0.194817 0.299276 H\n0.750982 0.322410 0.870901 H\n0.250982 0.677590 0.629099 H\n0.249018 0.677590 0.129099 H\n0.749018 0.322410 0.370901 H\n0.735269 0.338965 0.719409 H\n0.235269 0.661035 0.780591 H\n0.264731 0.661035 0.280591 H\n0.764731 0.338965 0.219409 H\n0.741476 0.999204 0.987094 H\n0.241476 0.000796 0.512906 H\n0.258524 0.000796 0.012906 H\n0.758524 0.999204 0.487094 H\n0.614795 0.953543 0.004446 H\n0.114795 0.046457 0.495554 H\n0.385205 0.046457 0.995554 H\n0.885205 0.953543 0.504446 H\n0.658193 0.134038 0.025738 H\n0.158193 0.865962 0.474262 H\n0.341807 0.865962 0.974262 H\n0.841807 0.134038 0.525738 H\n0.465496 0.317594 0.699620 Ru\n0.965496 0.682406 0.800380 Ru\n0.534504 0.682406 0.300380 Ru\n0.034504 0.317594 0.199620 Ru\n0.605238 0.806520 0.641688 C\n0.105238 0.193480 0.858312 C\n0.394762 0.193480 0.358312 C\n0.894762 0.806520 0.141688 C\n0.568032 0.648758 0.858313 C\n0.068032 0.351242 0.641687 C\n0.431968 0.351242 0.141687 C\n0.931968 0.648758 0.358313 C\n0.748240 0.260621 0.802255 C\n0.248240 0.739379 0.697745 C\n0.251760 0.739379 0.197745 C\n0.751760 0.260621 0.302255 C\n0.667591 0.045780 0.977100 C\n0.167591 0.954220 0.522900 C\n0.332409 0.954220 0.022900 C\n0.832409 0.045780 0.477100 C\n0.520398 0.667270 0.716086 S\n0.020398 0.332730 0.783914 S\n0.479602 0.332730 0.283914 S\n0.979602 0.667270 0.216086 S\n0.648235 0.129491 0.828021 S\n0.148235 0.870509 0.671979 S\n0.351765 0.870509 0.171979 S\n0.851765 0.129491 0.328021 S\n0.378594 0.392037 0.597140 N\n0.878594 0.607963 0.902860 N\n0.621406 0.607963 0.402860 N\n0.121406 0.392037 0.097140 N\n0.399082 0.108314 0.725437 N\n0.899082 0.891686 0.774563 N\n0.600918 0.891686 0.274563 N\n0.100918 0.108314 0.225437 N\n0.578181 0.240558 0.571986 Cl\n0.078181 0.759442 0.928014 Cl\n0.421819 0.759442 0.428014 Cl\n0.921819 0.240558 0.071986 Cl\n0.367863 0.385387 0.845669 Cl\n0.867863 0.614613 0.654331 Cl\n0.632137 0.614613 0.154331 Cl\n0.132137 0.385387 0.345669 Cl\n0.553753 0.520545 0.678989 O\n0.053753 0.479455 0.821011 O\n0.446247 0.479455 0.321011 O\n0.946247 0.520545 0.178989 O\n0.558129 0.233617 0.834967 O\n0.058129 0.766383 0.665033 O\n0.441871 0.766383 0.165033 O\n0.941871 0.233617 0.334967 O\n0.314715 0.433104 0.534357 O\n0.814715 0.566896 0.965643 O\n0.685285 0.566896 0.465643 O\n0.185285 0.433104 0.034357 O\n0.444527 0.992788 0.775568 O\n0.944527 0.007212 0.724432 O\n0.555473 0.007212 0.224432 O\n0.055473 0.992788 0.275568 O\n0.314217 0.098970 0.689825 O\n0.814217 0.901030 0.810175 O\n0.685783 0.901030 0.310175 O\n0.185783 0.098970 0.189825 O\n",
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"elements": [
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"S",
"N",
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],
"chemical_system": "C-Cl-H-N-O-Ru-S",
"density": 1.8488931120401337,
"density_atomic": 0.07711980040219751,
"volume": 1452.285916404013,
"volume_molar": 7.808812689598713,
"formula_full": "H48 Ru4 C16 S8 N8 Cl8 O20",
"formula_reduced": "H12RuC4S2N2Cl2O5",
"formula_anonymous": "AB2C2D2E4F5G12",
"energy": -618.4371641500001,
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"total_magnetization": 4.3e-06,
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"updated_at": "2021-11-28T01:34:39.023000Z",
"spacegroup": 14
},
{
"id": "mp-1204510",
"created_at": "2022-09-04T14:40:36.071934Z",
"structure_string": "Zn6 H42 C18 N6 O36\n1.0\n6.407157 -11.097522 0.000000\n6.407157 11.097522 0.000000\n0.000000 0.000000 8.281175\nZn H C N O\n6 42 18 6 36\ndirect\n0.664694 0.996468 0.913152 Zn\n0.003532 0.668226 0.913152 Zn\n0.331774 0.335306 0.913152 Zn\n0.335306 0.003532 0.413152 Zn\n0.996468 0.331774 0.413152 Zn\n0.668226 0.664694 0.413152 Zn\n0.722268 0.866950 0.177979 H\n0.133050 0.855318 0.177979 H\n0.144682 0.277732 0.177979 H\n0.277732 0.133050 0.677979 H\n0.866950 0.144682 0.677979 H\n0.855318 0.722268 0.677979 H\n0.489720 0.945923 0.193010 H\n0.054077 0.543796 0.193010 H\n0.456204 0.510280 0.193010 H\n0.510280 0.054077 0.693010 H\n0.945923 0.456204 0.693010 H\n0.543796 0.489720 0.693010 H\n0.826558 0.212213 0.124153 H\n0.787787 0.614345 0.124153 H\n0.385655 0.173442 0.124153 H\n0.173442 0.787787 0.624153 H\n0.212213 0.385655 0.624153 H\n0.614345 0.826558 0.624153 H\n0.420826 0.726860 0.003658 H\n0.273140 0.693966 0.003658 H\n0.306034 0.579174 0.003658 H\n0.579174 0.273140 0.503658 H\n0.726860 0.306034 0.503658 H\n0.693966 0.420826 0.503658 H\n0.333333 0.666667 0.840153 H\n0.666667 0.333333 0.340153 H\n0.636231 0.245165 0.004909 H\n0.754835 0.391066 0.004909 H\n0.608934 0.363769 0.004909 H\n0.363769 0.754835 0.504909 H\n0.245165 0.608934 0.504909 H\n0.391066 0.636231 0.504909 H\n0.666667 0.333333 0.841358 H\n0.333333 0.666667 0.341358 H\n0.970051 0.058331 0.328526 H\n0.941669 0.911720 0.328526 H\n0.088280 0.029949 0.328526 H\n0.029949 0.941669 0.828526 H\n0.058331 0.088280 0.828526 H\n0.911720 0.970051 0.828526 H\n0.000000 0.000000 0.491183 H\n0.000000 0.000000 0.991183 H\n0.623294 0.810612 0.169612 C\n0.189388 0.812682 0.169612 C\n0.187318 0.376706 0.169612 C\n0.376706 0.189388 0.669612 C\n0.810612 0.187318 0.669612 C\n0.812682 0.623294 0.669612 C\n0.527849 0.043816 0.175739 C\n0.956184 0.484033 0.175739 C\n0.515967 0.472151 0.175739 C\n0.472151 0.956184 0.675739 C\n0.043816 0.515967 0.675739 C\n0.484033 0.527849 0.675739 C\n0.860020 0.149041 0.147221 C\n0.850959 0.710978 0.147221 C\n0.289022 0.139980 0.147221 C\n0.139980 0.850959 0.647221 C\n0.149041 0.289022 0.647221 C\n0.710978 0.860020 0.647221 C\n0.333333 0.666667 0.963465 N\n0.666667 0.333333 0.463465 N\n0.666667 0.333333 0.964804 N\n0.333333 0.666667 0.464804 N\n0.000000 0.000000 0.367882 N\n0.000000 0.000000 0.867882 N\n0.571042 0.836890 0.058864 O\n0.163110 0.734151 0.058864 O\n0.265849 0.428958 0.058864 O\n0.428958 0.163110 0.558864 O\n0.836890 0.265849 0.558864 O\n0.734151 0.571042 0.558864 O\n0.568574 0.724915 0.268641 O\n0.275085 0.843659 0.268641 O\n0.156341 0.431426 0.268641 O\n0.431426 0.275085 0.768641 O\n0.724915 0.156341 0.768641 O\n0.843659 0.568574 0.768641 O\n0.602262 0.093696 0.059971 O\n0.906304 0.508566 0.059971 O\n0.491434 0.397738 0.059971 O\n0.397738 0.906304 0.559971 O\n0.093696 0.491434 0.559971 O\n0.508566 0.602262 0.559971 O\n0.494958 0.099785 0.269767 O\n0.900215 0.395173 0.269767 O\n0.604827 0.505042 0.269767 O\n0.505042 0.900215 0.769767 O\n0.099785 0.604827 0.769767 O\n0.395173 0.494958 0.769767 O\n0.825332 0.058558 0.055887 O\n0.941442 0.766774 0.055887 O\n0.233226 0.174668 0.055887 O\n0.174668 0.941442 0.555887 O\n0.058558 0.233226 0.555887 O\n0.766774 0.825332 0.555887 O\n0.931597 0.172299 0.266123 O\n0.827701 0.759298 0.266123 O\n0.240702 0.068403 0.266123 O\n0.068403 0.827701 0.766123 O\n0.172299 0.240702 0.766123 O\n0.759298 0.931597 0.766123 O\n",
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"formula_full": "Zn6 H42 C18 N6 O36",
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{
"id": "mp-210",
"created_at": "2022-09-04T14:47:07.428232Z",
"structure_string": "Ba6 Li24\n1.0\n5.421927 -9.391053 0.000000\n5.421927 9.391053 0.000000\n0.000000 0.000000 8.737915\nBa Li\n6 24\ndirect\n0.471658 0.528342 0.250000 Ba\n0.471658 0.943315 0.250000 Ba\n0.056685 0.528342 0.250000 Ba\n0.528342 0.471658 0.750000 Ba\n0.528342 0.056685 0.750000 Ba\n0.943315 0.471658 0.750000 Ba\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.915183 Li\n0.666667 0.333333 0.084817 Li\n0.666667 0.333333 0.415183 Li\n0.333333 0.666667 0.584817 Li\n0.099420 0.900580 0.250000 Li\n0.099420 0.198841 0.250000 Li\n0.801159 0.900580 0.250000 Li\n0.900580 0.099420 0.750000 Li\n0.900580 0.801159 0.750000 Li\n0.198841 0.099420 0.750000 Li\n0.163330 0.836670 0.933352 Li\n0.163330 0.326661 0.933352 Li\n0.673339 0.836670 0.933352 Li\n0.836670 0.163330 0.066648 Li\n0.836670 0.673339 0.066648 Li\n0.326661 0.163330 0.066648 Li\n0.836670 0.163330 0.433352 Li\n0.836670 0.673339 0.433352 Li\n0.326661 0.163330 0.433352 Li\n0.163330 0.836670 0.566648 Li\n0.163330 0.326661 0.566648 Li\n0.673339 0.836670 0.566648 Li\n",
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{
"id": "mp-555251",
"created_at": "2022-09-04T14:44:12.794573Z",
"structure_string": "Si4 O8\n1.0\n-2.543169 4.153895 5.109765\n2.543169 -4.153895 5.109765\n2.543169 4.153895 -5.109765\nSi O\n4 8\ndirect\n0.744618 0.599913 0.143529 Si\n0.255382 0.398911 0.855294 Si\n0.043616 0.898911 0.143529 Si\n0.956384 0.099913 0.855294 Si\n0.870881 0.375734 0.094068 O\n0.000000 0.931044 0.931044 O\n0.781666 0.875734 0.504853 O\n0.129119 0.223187 0.504853 O\n0.172785 0.215792 0.888577 O\n0.827215 0.715792 0.043006 O\n0.500000 0.431044 0.931044 O\n0.218334 0.723187 0.094068 O\n",
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"formula_full": "Si4 O8",
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"updated_at": "2021-11-28T01:36:34.439000Z",
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{
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{
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{
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