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{
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"results": [
{
"id": "mp-12544",
"created_at": "2022-09-04T14:41:59.409211Z",
"structure_string": "Ho6 Pd4\n1.0\n7.769498 0.000000 0.000000\n0.000000 7.769498 0.000000\n0.000000 0.000000 3.942063\nHo Pd\n6 4\ndirect\n0.835641 0.664359 0.500000 Ho\n0.335641 0.835641 0.500000 Ho\n0.164359 0.335641 0.500000 Ho\n0.664359 0.164359 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.133328 0.633328 0.000000 Pd\n0.633328 0.866672 0.000000 Pd\n0.366672 0.133328 0.000000 Pd\n0.866672 0.366672 0.000000 Pd\n",
"nsites": 10,
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"elements": [
"Ho",
"Pd"
],
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"density": 9.875894450940685,
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"volume": 237.96302393728757,
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"formula_full": "Ho6 Pd4",
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},
{
"id": "mp-1222493",
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"structure_string": "Li5 Y2 Sb4\n1.0\n2.243223 8.110479 0.000000\n-2.243223 8.110479 0.000000\n0.000000 3.732480 6.903870\nLi Y Sb\n5 2 4\ndirect\n0.759207 0.759207 0.223441 Li\n0.257232 0.257232 0.762622 Li\n0.826754 0.826754 0.508011 Li\n0.672530 0.672530 0.992758 Li\n0.175397 0.175397 0.491601 Li\n0.496920 0.496920 0.502355 Y\n0.998906 0.998906 0.000828 Y\n0.622896 0.622896 0.710370 Sb\n0.121125 0.121125 0.213585 Sb\n0.373379 0.373379 0.284257 Sb\n0.872563 0.872563 0.800322 Sb\n",
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"elements": [
"Li",
"Y",
"Sb"
],
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"density": 4.624134565597847,
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"volume": 251.21267843155633,
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"formula_full": "Li5 Y2 Sb4",
"formula_reduced": "Li5(YSb2)2",
"formula_anonymous": "A2B4C5",
"energy": -48.33798629,
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"updated_at": "2021-11-28T01:35:33.361000Z",
"spacegroup": 8
},
{
"id": "mp-626729",
"created_at": "2022-09-04T14:41:59.421127Z",
"structure_string": "Ga4 H12 O12\n1.0\n3.744767 -5.316688 0.000000\n3.744767 5.316688 0.000000\n-3.803680 0.000000 5.274701\nGa H O\n4 12 12\ndirect\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.816774 0.455112 0.273167 H\n0.038322 0.307785 0.347018 H\n0.961678 0.692215 0.652982 H\n0.183226 0.544888 0.726833 H\n0.726833 0.183226 0.544888 H\n0.652982 0.961678 0.692215 H\n0.347018 0.038322 0.307785 H\n0.273167 0.816774 0.455112 H\n0.307785 0.347018 0.038322 H\n0.455112 0.273167 0.816774 H\n0.544888 0.726833 0.183226 H\n0.692215 0.652982 0.961678 H\n0.821667 0.318655 0.146275 O\n0.172940 0.312297 0.486897 O\n0.827060 0.687703 0.513103 O\n0.178333 0.681345 0.853725 O\n0.853725 0.178333 0.681345 O\n0.513103 0.827060 0.687703 O\n0.486897 0.172940 0.312297 O\n0.146275 0.821667 0.318655 O\n0.312297 0.486897 0.172940 O\n0.318655 0.146275 0.821667 O\n0.681345 0.853725 0.178333 O\n0.687703 0.513103 0.827060 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ga",
"H",
"O"
],
"chemical_system": "Ga-H-O",
"density": 3.818427052444465,
"density_atomic": 0.13331045569988198,
"volume": 210.03603845624534,
"volume_molar": 4.517380672343867,
"formula_full": "Ga4 H12 O12",
"formula_reduced": "Ga(HO)3",
"formula_anonymous": "AB3C3",
"energy": -157.60349922,
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"total_magnetization": 0.0002578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.826000Z",
"spacegroup": 148
},
{
"id": "mp-1185793",
"created_at": "2022-09-04T14:41:58.917322Z",
"structure_string": "Mg3 Tc1\n1.0\n-2.044881 2.044881 4.251571\n2.044881 -2.044881 4.251571\n2.044881 2.044881 -4.251571\nMg Tc\n3 1\ndirect\n0.500001 0.500001 0.000000 Mg\n0.750001 0.250000 0.500000 Mg\n0.250000 0.750001 0.500000 Mg\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Tc"
],
"chemical_system": "Mg-Tc",
"density": 3.991018767321449,
"density_atomic": 0.05624895837326684,
"volume": 71.11242795744036,
"volume_molar": 10.70622627362663,
"formula_full": "Mg3 Tc1",
"formula_reduced": "Mg3Tc",
"formula_anonymous": "AB3",
"energy": -14.30268174,
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"energy_uncorrected": -14.30268174,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.988000Z",
"spacegroup": 139
},
{
"id": "mp-562504",
"created_at": "2022-09-04T14:41:59.429902Z",
"structure_string": "Cs8 Ga4 P12 O40\n1.0\n9.162203 0.000000 0.000000\n0.000000 9.689039 0.000000\n0.000000 1.129519 12.453839\nCs Ga P O\n8 4 12 40\ndirect\n0.396413 0.264723 0.539371 Cs\n0.103587 0.764723 0.539371 Cs\n0.603587 0.735277 0.460629 Cs\n0.879664 0.994506 0.147570 Cs\n0.120336 0.005494 0.852430 Cs\n0.379664 0.505494 0.852430 Cs\n0.620336 0.494506 0.147570 Cs\n0.896413 0.235277 0.460629 Cs\n0.851472 0.644119 0.847275 Ga\n0.648528 0.144119 0.847275 Ga\n0.351472 0.855881 0.152725 Ga\n0.148528 0.355881 0.152725 Ga\n0.917270 0.321015 0.951946 P\n0.285350 0.569200 0.310945 P\n0.466502 0.918454 0.741046 P\n0.033498 0.418454 0.741046 P\n0.214650 0.069200 0.310945 P\n0.966502 0.581546 0.258954 P\n0.082730 0.678985 0.048054 P\n0.417270 0.178985 0.048054 P\n0.714650 0.430800 0.689055 P\n0.533498 0.081546 0.258954 P\n0.785350 0.930800 0.689055 P\n0.582730 0.821015 0.951946 P\n0.003337 0.281048 0.054493 O\n0.280937 0.431548 0.258324 O\n0.128060 0.179445 0.240740 O\n0.371940 0.679445 0.240740 O\n0.114626 0.628275 0.312625 O\n0.522504 0.930059 0.235196 O\n0.816339 0.199332 0.933651 O\n0.496663 0.781048 0.054493 O\n0.316339 0.300668 0.066349 O\n0.459404 0.824765 0.855596 O\n0.871940 0.820555 0.759260 O\n0.332811 0.555082 0.426401 O\n0.719063 0.568452 0.741676 O\n0.628060 0.320555 0.759260 O\n0.667189 0.444918 0.573599 O\n0.022504 0.569941 0.764804 O\n0.342708 0.037850 0.055598 O\n0.657292 0.962150 0.944402 O\n0.842708 0.462150 0.944402 O\n0.040596 0.324765 0.855596 O\n0.385374 0.128275 0.312625 O\n0.780937 0.068452 0.741676 O\n0.540596 0.175235 0.144404 O\n0.977496 0.430059 0.235196 O\n0.219063 0.931548 0.258324 O\n0.661073 0.121227 0.323188 O\n0.885374 0.371725 0.687375 O\n0.832811 0.944918 0.573599 O\n0.503337 0.218952 0.945507 O\n0.161073 0.378773 0.676812 O\n0.996663 0.718952 0.945507 O\n0.614626 0.871725 0.687375 O\n0.838927 0.621227 0.323188 O\n0.959404 0.675235 0.144404 O\n0.167189 0.055082 0.426401 O\n0.183661 0.800668 0.066349 O\n0.477496 0.069941 0.764804 O\n0.338927 0.878773 0.676812 O\n0.683661 0.699332 0.933651 O\n0.157292 0.537850 0.055598 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Cs",
"Ga",
"P",
"O"
],
"chemical_system": "Cs-Ga-O-P",
"density": 3.5353645038031716,
"density_atomic": 0.057889008753748576,
"volume": 1105.563929626895,
"volume_molar": 10.402908755299839,
"formula_full": "Cs8 Ga4 P12 O40",
"formula_reduced": "Cs2GaP3O10",
"formula_anonymous": "AB2C3D10",
"energy": -452.18277968,
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"band_gap": 4.0775,
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"total_magnetization": 9.2e-06,
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"updated_at": "2021-11-28T01:35:34.357000Z",
"spacegroup": 14
},
{
"id": "mp-1044095",
"created_at": "2022-09-04T14:41:59.430887Z",
"structure_string": "Sb6 O14\n1.0\n-3.304097 3.817529 5.697659\n3.304097 -3.817529 5.697659\n3.304097 3.817529 -5.697659\nSb O\n6 14\ndirect\n0.785440 0.285440 0.000000 Sb\n0.714560 0.714560 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.285440 0.285440 0.500000 Sb\n0.214560 0.714560 0.000000 Sb\n0.335843 0.663759 0.782622 O\n0.164157 0.946779 0.327915 O\n0.381136 0.053221 0.217378 O\n0.118864 0.336241 0.672085 O\n0.664157 0.336241 0.217378 O\n0.835843 0.053221 0.672085 O\n0.618864 0.946779 0.782622 O\n0.881136 0.663759 0.327915 O\n0.750000 0.944420 0.194420 O\n0.250000 0.055580 0.805580 O\n0.925950 0.708889 0.782939 O\n0.574050 0.356988 0.782939 O\n0.425950 0.643012 0.217061 O\n0.074050 0.291111 0.217061 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "O-Sb",
"density": 5.513875160512556,
"density_atomic": 0.06957262941290812,
"volume": 287.46937076794325,
"volume_molar": 8.655905074765917,
"formula_full": "Sb6 O14",
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"energy": -127.30331718,
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"spacegroup": 74
},
{
"id": "mp-530841",
"created_at": "2022-09-04T14:41:59.440683Z",
"structure_string": "Ga41 N11 O45\n1.0\n2.977009 5.144450 0.000000\n-2.977009 5.144450 0.000000\n0.000000 3.448077 34.036785\nGa N O\n41 11 45\ndirect\n0.164996 0.164996 0.018252 Ga\n0.505873 0.505873 0.000186 Ga\n0.139548 0.653287 0.074807 Ga\n0.450679 0.450679 0.164033 Ga\n0.647834 0.647834 0.074216 Ga\n0.423482 0.937700 0.215730 Ga\n0.726122 0.726122 0.300480 Ga\n0.816382 0.816382 0.149155 Ga\n0.653287 0.139548 0.074807 Ga\n0.708495 0.222914 0.356531 Ga\n0.123603 0.123603 0.127143 Ga\n0.020463 0.020463 0.445915 Ga\n0.057359 0.057359 0.279413 Ga\n0.937700 0.423482 0.215730 Ga\n0.517020 0.985637 0.498898 Ga\n0.213467 0.213467 0.354800 Ga\n0.402208 0.402208 0.264792 Ga\n0.359107 0.359107 0.426236 Ga\n0.985637 0.517020 0.498898 Ga\n0.307852 0.307852 0.587871 Ga\n0.222914 0.708495 0.356531 Ga\n0.505383 0.505383 0.498326 Ga\n0.803276 0.272049 0.642164 Ga\n0.272049 0.803276 0.642164 Ga\n0.683268 0.683268 0.411072 Ga\n0.593753 0.593753 0.731070 Ga\n0.647133 0.647133 0.569601 Ga\n0.791388 0.791388 0.641704 Ga\n0.970532 0.970532 0.555337 Ga\n0.557736 0.089086 0.785357 Ga\n0.879396 0.879396 0.874074 Ga\n0.933052 0.933052 0.712776 Ga\n0.077123 0.077123 0.784861 Ga\n0.844350 0.374259 0.928692 Ga\n0.256642 0.256642 0.698569 Ga\n0.218609 0.218609 0.855964 Ga\n0.089086 0.557736 0.785357 Ga\n0.362545 0.362545 0.928220 Ga\n0.542243 0.542243 0.841942 Ga\n0.374259 0.844350 0.928692 Ga\n0.830037 0.830037 0.982940 Ga\n0.955921 0.955921 0.106031 N\n0.231331 0.231331 0.249938 N\n0.517501 0.517501 0.390765 N\n0.674429 0.674429 0.467153 N\n0.807081 0.807081 0.534482 N\n0.960391 0.960391 0.611026 N\n0.093295 0.093295 0.677790 N\n0.246162 0.246162 0.754264 N\n0.379019 0.379019 0.821032 N\n0.531801 0.531801 0.897721 N\n0.664810 0.664810 0.964312 N\n0.337415 0.337415 0.036444 O\n0.470905 0.470905 0.102997 O\n0.806260 0.331426 0.036667 O\n0.331426 0.806260 0.036667 O\n0.626263 0.626263 0.178260 O\n0.962503 0.477060 0.103318 O\n0.477060 0.962503 0.103318 O\n0.743480 0.743480 0.247080 O\n0.820085 0.820085 0.039072 O\n0.103813 0.594063 0.177883 O\n0.594063 0.103813 0.177883 O\n0.901366 0.901366 0.323461 O\n0.263390 0.752450 0.251501 O\n0.752450 0.263390 0.251501 O\n0.035244 0.035244 0.390015 O\n0.115677 0.115677 0.180350 O\n0.373659 0.899468 0.323979 O\n0.899468 0.373659 0.323979 O\n0.191807 0.191807 0.465025 O\n0.520170 0.048742 0.391390 O\n0.048742 0.520170 0.391390 O\n0.324261 0.324261 0.531173 O\n0.661808 0.186642 0.464683 O\n0.385936 0.385936 0.324601 O\n0.186642 0.661808 0.464683 O\n0.809511 0.332424 0.535284 O\n0.478126 0.478126 0.607939 O\n0.332424 0.809511 0.535284 O\n0.610369 0.610369 0.674169 O\n0.949840 0.472181 0.607606 O\n0.472181 0.949840 0.607606 O\n0.763871 0.763871 0.751077 O\n0.095607 0.618178 0.678589 O\n0.618178 0.095607 0.678589 O\n0.896053 0.896053 0.817199 O\n0.235865 0.757743 0.750751 O\n0.757743 0.235865 0.750751 O\n0.049424 0.049424 0.894137 O\n0.381367 0.903594 0.821790 O\n0.903594 0.381367 0.821790 O\n0.182405 0.182405 0.960344 O\n0.521990 0.043186 0.893894 O\n0.043186 0.521990 0.893894 O\n0.669171 0.189000 0.964935 O\n0.189000 0.669171 0.964935 O\n",
"nsites": 97,
"nelements": 3,
"elements": [
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"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 5.945294340786573,
"density_atomic": 0.09304094420292801,
"volume": 1042.551758593905,
"volume_molar": 6.472570556534058,
"formula_full": "Ga41 N11 O45",
"formula_reduced": "Ga41N11O45",
"formula_anonymous": "A11B41C45",
"energy": -615.3865982799999,
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"updated_at": "2021-11-28T01:35:32.302000Z",
"spacegroup": 8
},
{
"id": "mp-643067",
"created_at": "2022-09-04T14:41:58.701429Z",
"structure_string": "Mg18 Sn6\n1.0\n10.961800 -0.000457 0.000189\n-5.481287 9.493931 -0.000468\n0.000030 -0.000179 5.269493\nMg Sn\n18 6\ndirect\n0.501557 0.829728 0.251011 Mg\n0.328156 0.498375 0.251068 Mg\n0.170245 0.671823 0.251040 Mg\n0.498444 0.170264 0.748988 Mg\n0.671835 0.501624 0.748966 Mg\n0.829760 0.328190 0.748961 Mg\n0.168244 0.163039 0.251025 Mg\n0.994780 0.831703 0.251005 Mg\n0.836920 0.005178 0.251002 Mg\n0.831743 0.836950 0.748982 Mg\n0.005219 0.168311 0.748982 Mg\n0.163085 0.994822 0.748987 Mg\n0.834924 0.496326 0.250875 Mg\n0.661410 0.165029 0.250862 Mg\n0.503662 0.338563 0.250929 Mg\n0.165061 0.503665 0.749106 Mg\n0.338596 0.834965 0.749111 Mg\n0.496341 0.661424 0.749057 Mg\n0.666737 0.666803 0.252026 Sn\n0.000087 0.333245 0.252168 Sn\n0.333118 0.999889 0.252205 Sn\n0.333254 0.333191 0.748010 Sn\n0.999938 0.666780 0.747879 Sn\n0.666884 0.000112 0.747754 Sn\n",
"nsites": 24,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Sn",
"density": 3.4814983430162103,
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"volume": 548.3859544707703,
"volume_molar": 13.76023920262471,
"formula_full": "Mg18 Sn6",
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"spacegroup": 176
},
{
"id": "mp-1105993",
"created_at": "2022-09-04T14:41:58.926711Z",
"structure_string": "Tb12 Ni4 Sn2\n1.0\n-4.734304 -4.904077 5.012041\n-4.734304 4.904077 -5.012041\n4.734304 -4.904077 -5.012041\nTb Ni Sn\n12 4 2\ndirect\n0.705695 0.265069 0.970764 Tb\n0.294305 0.734931 0.029236 Tb\n0.705695 0.734931 0.440626 Tb\n0.294305 0.265069 0.559374 Tb\n0.810500 0.135424 0.324924 Tb\n0.810500 0.485576 0.675076 Tb\n0.189500 0.864576 0.675076 Tb\n0.189500 0.514424 0.324924 Tb\n0.604876 0.786001 0.818875 Tb\n0.967127 0.786001 0.181125 Tb\n0.032873 0.213999 0.818875 Tb\n0.395124 0.213999 0.181125 Tb\n0.851525 0.500000 0.351525 Ni\n0.148475 0.500000 0.648475 Ni\n0.000000 0.121718 0.121718 Ni\n0.000000 0.878282 0.878282 Ni\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n",
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"elements": [
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],
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"density": 8.488087974906016,
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"formula_full": "Tb12 Ni4 Sn2",
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"updated_at": "2021-11-28T01:35:33.173000Z",
"spacegroup": 71
},
{
"id": "mp-557448",
"created_at": "2022-09-04T14:41:59.451617Z",
"structure_string": "Ba4 Ca2 U2 O12\n1.0\n6.191401 0.000000 0.000000\n0.000000 6.227731 0.000000\n0.000000 6.201833 8.743984\nBa Ca U O\n4 2 2 12\ndirect\n0.015349 0.244907 0.749899 Ba\n0.515349 0.755093 0.750101 Ba\n0.984651 0.755093 0.250101 Ba\n0.484651 0.244907 0.249899 Ba\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.783674 0.218969 0.535712 O\n0.512069 0.695720 0.234853 O\n0.256831 0.175166 0.539138 O\n0.216326 0.781031 0.464288 O\n0.987931 0.695720 0.734853 O\n0.756831 0.824834 0.960862 O\n0.716326 0.218969 0.035712 O\n0.283674 0.781031 0.964288 O\n0.012069 0.304280 0.265147 O\n0.487931 0.304280 0.765147 O\n0.243169 0.175166 0.039138 O\n0.743169 0.824834 0.460862 O\n",
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"elements": [
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"density_atomic": 0.05932009843183892,
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"formula_full": "Ba4 Ca2 U2 O12",
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"spacegroup": 14
},
{
"id": "mp-29297",
"created_at": "2022-09-04T14:41:59.452693Z",
"structure_string": "Cd6 Cl4 O4\n1.0\n6.831396 0.000000 0.000000\n0.000000 6.546793 0.000000\n0.000000 2.980825 6.076808\nCd Cl O\n6 4 4\ndirect\n0.873166 0.411718 0.229671 Cd\n0.373166 0.588282 0.270329 Cd\n0.126834 0.588282 0.770329 Cd\n0.626834 0.411718 0.729671 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.635065 0.808612 0.935242 Cl\n0.135065 0.191388 0.564758 Cl\n0.864935 0.808612 0.435242 Cl\n0.364935 0.191388 0.064758 Cl\n0.612505 0.331430 0.436620 O\n0.112505 0.668570 0.063380 O\n0.387495 0.668570 0.563380 O\n0.887495 0.331430 0.936620 O\n",
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"elements": [
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],
"chemical_system": "Cd-Cl-O",
"density": 5.378413349360086,
"density_atomic": 0.05151271621422165,
"volume": 271.77755375545263,
"volume_molar": 11.690590600884303,
"formula_full": "Cd6 Cl4 O4",
"formula_reduced": "Cd3(ClO)2",
"formula_anonymous": "A2B2C3",
"energy": -52.82478963,
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"updated_at": "2021-11-28T01:35:38.080000Z",
"spacegroup": 14
},
{
"id": "mp-733508",
"created_at": "2022-09-04T14:42:00.801651Z",
"structure_string": "Sm4 H20 Se8 O32\n1.0\n6.804884 0.000000 0.000000\n0.000000 7.208380 0.000000\n0.000000 0.000000 17.723581\nSm H Se O\n4 20 8 32\ndirect\n0.122554 0.597862 0.716172 Sm\n0.377446 0.402138 0.216172 Sm\n0.622554 0.902138 0.283828 Sm\n0.877446 0.097862 0.783828 Sm\n0.099545 0.761836 0.552479 H\n0.400455 0.238164 0.052479 H\n0.599545 0.738164 0.447521 H\n0.900455 0.261836 0.947521 H\n0.052776 0.921228 0.613193 H\n0.447224 0.078772 0.113193 H\n0.552776 0.578772 0.386807 H\n0.947224 0.421228 0.886807 H\n0.203007 0.756209 0.427701 H\n0.296993 0.243791 0.927701 H\n0.703007 0.743791 0.572299 H\n0.796993 0.256209 0.072299 H\n0.982031 0.722835 0.417343 H\n0.517969 0.277165 0.917343 H\n0.482031 0.777165 0.582657 H\n0.017969 0.222835 0.082657 H\n0.041753 0.266169 0.490475 H\n0.458247 0.733831 0.990475 H\n0.541753 0.233831 0.509525 H\n0.958247 0.766169 0.009525 H\n0.657275 0.605163 0.769893 Se\n0.842725 0.394837 0.269893 Se\n0.157275 0.894837 0.230107 Se\n0.342725 0.105163 0.730107 Se\n0.859679 0.288620 0.595671 Se\n0.640321 0.711380 0.095671 Se\n0.359679 0.211380 0.404329 Se\n0.140321 0.788620 0.904329 Se\n0.808385 0.423682 0.738588 O\n0.691615 0.576318 0.238588 O\n0.308385 0.076318 0.261412 O\n0.191615 0.923682 0.761412 O\n0.912417 0.096179 0.648132 O\n0.587583 0.903821 0.148132 O\n0.412417 0.403821 0.351868 O\n0.087583 0.596179 0.851868 O\n0.055935 0.429582 0.605619 O\n0.444065 0.570418 0.105619 O\n0.555935 0.070418 0.394381 O\n0.944065 0.929582 0.894381 O\n0.918994 0.200248 0.501777 O\n0.581006 0.799752 0.001777 O\n0.418994 0.299752 0.498223 O\n0.081006 0.700248 0.998223 O\n0.813304 0.778411 0.736770 O\n0.686696 0.221589 0.236770 O\n0.313304 0.721589 0.263230 O\n0.186696 0.278411 0.763230 O\n0.468199 0.606449 0.706546 O\n0.031801 0.393551 0.206546 O\n0.968199 0.893551 0.293454 O\n0.531801 0.106449 0.793454 O\n0.127641 0.804034 0.604982 O\n0.372359 0.195966 0.104982 O\n0.627641 0.695966 0.395018 O\n0.872359 0.304034 0.895018 O\n0.088047 0.710430 0.454333 O\n0.411953 0.289570 0.954333 O\n0.588047 0.789570 0.545667 O\n0.911953 0.210430 0.045667 O\n",
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],
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"formula_full": "Sm4 H20 Se8 O32",
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}
]
}