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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": [
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"Pd"
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"formula_full": "Ho6 Pd4",
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{
"id": "mp-780565",
"created_at": "2022-09-04T14:41:59.415876Z",
"structure_string": "Na12 Cu4 C8 S2 O32\n1.0\n0.000000 6.980180 6.980180\n6.980180 0.000000 6.980180\n6.980180 6.980180 0.000000\nNa Cu C S O\n12 4 8 2 32\ndirect\n0.535642 0.964358 0.535642 Na\n0.285642 0.714358 0.285642 Na\n0.964358 0.964358 0.535642 Na\n0.714358 0.714358 0.285642 Na\n0.535642 0.964358 0.964358 Na\n0.285642 0.714358 0.714358 Na\n0.964358 0.535642 0.535642 Na\n0.535642 0.535642 0.964358 Na\n0.714358 0.285642 0.285642 Na\n0.285642 0.285642 0.714358 Na\n0.964358 0.535642 0.964358 Na\n0.714358 0.285642 0.714358 Na\n0.125000 0.625000 0.125000 Cu\n0.125000 0.125000 0.625000 Cu\n0.625000 0.125000 0.125000 Cu\n0.125000 0.125000 0.125000 Cu\n0.285779 0.904740 0.904740 C\n0.904740 0.904740 0.285779 C\n0.904740 0.285779 0.904740 C\n0.345260 0.345260 0.345260 C\n0.345260 0.964221 0.345260 C\n0.904740 0.904740 0.904740 C\n0.964221 0.345260 0.345260 C\n0.345260 0.345260 0.964221 C\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.287927 0.763917 0.923286 O\n0.688214 0.688214 0.688214 O\n0.024870 0.763917 0.287927 O\n0.763917 0.923287 0.287927 O\n0.935357 0.688214 0.688214 O\n0.688214 0.688214 0.935357 O\n0.287927 0.024870 0.763917 O\n0.287927 0.923287 0.024870 O\n0.688214 0.935357 0.688214 O\n0.923287 0.287927 0.763917 O\n0.486083 0.225130 0.326713 O\n0.923287 0.024870 0.287927 O\n0.763917 0.287927 0.024870 O\n0.225130 0.326714 0.486083 O\n0.923287 0.763917 0.024870 O\n0.225130 0.962073 0.326713 O\n0.326713 0.486083 0.225130 O\n0.024870 0.287927 0.923287 O\n0.024870 0.923287 0.763917 O\n0.486083 0.962073 0.225130 O\n0.326713 0.225130 0.962073 O\n0.763917 0.024870 0.923286 O\n0.326713 0.962073 0.486083 O\n0.561786 0.314643 0.561786 O\n0.962073 0.326713 0.225130 O\n0.962073 0.225130 0.486083 O\n0.561786 0.561786 0.314643 O\n0.314643 0.561786 0.561786 O\n0.486083 0.326714 0.962073 O\n0.225130 0.486083 0.962073 O\n0.561786 0.561786 0.561786 O\n0.962073 0.486083 0.326713 O\n",
"nsites": 58,
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"elements": [
"Na",
"Cu",
"C",
"S",
"O"
],
"chemical_system": "C-Cu-Na-O-S",
"density": 2.935058610211467,
"density_atomic": 0.0852703669169576,
"volume": 680.1894033889237,
"volume_molar": 7.062407466669861,
"formula_full": "Na12 Cu4 C8 S2 O32",
"formula_reduced": "Na6Cu2C4SO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -381.40566093,
"energy_per_atom": -6.575959671206896,
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"energy_uncorrected": -359.42166093,
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"updated_at": "2021-11-28T01:35:34.932000Z",
"spacegroup": 203
},
{
"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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"updated_at": "2021-11-28T01:35:33.826000Z",
"spacegroup": 148
},
{
"id": "mp-698549",
"created_at": "2022-09-04T14:41:59.423808Z",
"structure_string": "Ca8 Mn8 O22\n1.0\n5.479291 0.000000 0.000000\n0.000000 7.548963 0.000000\n0.000000 0.026484 10.865355\nCa Mn O\n8 8 22\ndirect\n0.022460 0.489156 0.614812 Ca\n0.552821 0.499276 0.883080 Ca\n0.490394 0.015599 0.880395 Ca\n0.990394 0.984401 0.119605 Ca\n0.052821 0.500724 0.116920 Ca\n0.522460 0.510844 0.385188 Ca\n0.441745 0.982165 0.378599 Ca\n0.941745 0.017835 0.621401 Ca\n0.493189 0.256026 0.627946 Mn\n0.513140 0.748677 0.623313 Mn\n0.997859 0.749178 0.880570 Mn\n0.009876 0.254067 0.871131 Mn\n0.509876 0.745933 0.128869 Mn\n0.497859 0.250822 0.119430 Mn\n0.993189 0.743974 0.372054 Mn\n0.013140 0.251323 0.376687 Mn\n0.464603 0.508004 0.673643 O\n0.721212 0.214723 0.764839 O\n0.731708 0.801081 0.762104 O\n0.213733 0.202326 0.731109 O\n0.988267 0.505765 0.828705 O\n0.044511 0.998239 0.906359 O\n0.796610 0.288418 0.020924 O\n0.784152 0.707010 0.025954 O\n0.284152 0.292990 0.974046 O\n0.296610 0.711582 0.979076 O\n0.544511 0.001761 0.093641 O\n0.488267 0.494235 0.171295 O\n0.713733 0.797674 0.268891 O\n0.221212 0.785277 0.235161 O\n0.231708 0.198919 0.237896 O\n0.964603 0.491996 0.326357 O\n0.992731 0.000664 0.408897 O\n0.763882 0.288195 0.508625 O\n0.780505 0.701839 0.507056 O\n0.280505 0.298161 0.492944 O\n0.263882 0.711805 0.491375 O\n0.492731 0.999336 0.591103 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.109067497070993,
"density_atomic": 0.08455280377561325,
"volume": 449.4232988517404,
"volume_molar": 7.122343069759808,
"formula_full": "Ca8 Mn8 O22",
"formula_reduced": "Ca4Mn4O11",
"formula_anonymous": "A4B4C11",
"energy": -294.08109062999995,
"energy_per_atom": -7.738976069210525,
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"updated_at": "2021-11-28T01:35:38.115000Z",
"spacegroup": 4
},
{
"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,
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],
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"volume": 1105.563929626895,
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"formula_full": "Cs8 Ga4 P12 O40",
"formula_reduced": "Cs2GaP3O10",
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"energy": -452.18277968,
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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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"density": 5.513875160512556,
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"volume": 287.46937076794325,
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"formula_full": "Sb6 O14",
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{
"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",
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"elements": [
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"density": 5.945294340786573,
"density_atomic": 0.09304094420292801,
"volume": 1042.551758593905,
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"formula_full": "Ga41 N11 O45",
"formula_reduced": "Ga41N11O45",
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"updated_at": "2021-11-28T01:35:32.302000Z",
"spacegroup": 8
},
{
"id": "mp-807760",
"created_at": "2022-09-04T14:41:59.441927Z",
"structure_string": "Li2 Fe4 O3 F8\n1.0\n6.677976 0.000000 0.000000\n-2.192415 6.501265 0.000000\n-0.590610 -1.654092 4.768276\nLi Fe O F\n2 4 3 8\ndirect\n0.391064 0.663365 0.179202 Li\n0.608936 0.336635 0.820798 Li\n0.971797 0.909285 0.249762 Fe\n0.759078 0.344591 0.377827 Fe\n0.240922 0.655409 0.622173 Fe\n0.028203 0.090715 0.750238 Fe\n0.000000 0.000000 0.000000 O\n0.949805 0.735672 0.528156 O\n0.050195 0.264328 0.471844 O\n0.801255 0.486364 0.116274 F\n0.661739 0.946216 0.203791 F\n0.478030 0.372188 0.288701 F\n0.254585 0.803886 0.357895 F\n0.745415 0.196114 0.642105 F\n0.521970 0.627812 0.711299 F\n0.338261 0.053784 0.796209 F\n0.198745 0.513636 0.883726 F\n",
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"elements": [
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"volume": 207.0160931582961,
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"formula_full": "Li2 Fe4 O3 F8",
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{
"id": "mp-1374186",
"created_at": "2022-09-04T14:41:59.445618Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n3.005607 0.000000 0.000000\n0.000000 9.038840 0.000000\n0.000000 0.000000 10.481410\nMg Mn O\n4 8 16\ndirect\n0.250000 0.246770 0.845582 Mg\n0.750000 0.753230 0.154418 Mg\n0.250000 0.746770 0.654418 Mg\n0.750000 0.253230 0.345582 Mg\n0.750000 0.417912 0.605629 Mn\n0.250000 0.082088 0.105629 Mn\n0.750000 0.917912 0.894371 Mn\n0.250000 0.582088 0.394371 Mn\n0.250000 0.565728 0.885335 Mn\n0.750000 0.434272 0.114665 Mn\n0.250000 0.065728 0.614665 Mn\n0.750000 0.934272 0.385335 Mn\n0.750000 0.901626 0.572183 O\n0.250000 0.098374 0.427817 O\n0.750000 0.401626 0.927817 O\n0.250000 0.598374 0.072183 O\n0.750000 0.020368 0.217983 O\n0.250000 0.979632 0.782017 O\n0.750000 0.520368 0.282017 O\n0.250000 0.479632 0.717983 O\n0.750000 0.619722 0.534131 O\n0.250000 0.380278 0.465869 O\n0.750000 0.119722 0.965869 O\n0.250000 0.880278 0.034131 O\n0.250000 0.780249 0.315880 O\n0.750000 0.219751 0.684120 O\n0.750000 0.719751 0.815880 O\n0.250000 0.280249 0.184120 O\n",
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{
"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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"formula_full": "Ba4 Ca2 U2 O12",
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},
{
"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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"volume": 271.77755375545263,
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"formula_full": "Cd6 Cl4 O4",
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{
"id": "mp-1228175",
"created_at": "2022-09-04T14:41:58.413027Z",
"structure_string": "Ba10 Li2 Mo4 N14 Cl4\n1.0\n0.000000 -6.143352 0.000000\n-11.215575 0.000000 1.100063\n-0.011652 0.000000 -11.384115\nBa Li Mo N Cl\n10 2 4 14 4\ndirect\n0.750000 0.017612 0.368576 Ba\n0.250000 0.982388 0.631424 Ba\n0.750000 0.375080 0.439010 Ba\n0.250000 0.624920 0.560990 Ba\n0.750000 0.806161 0.884188 Ba\n0.250000 0.193839 0.115812 Ba\n0.750000 0.203310 0.702283 Ba\n0.250000 0.796690 0.297717 Ba\n0.750000 0.504082 0.121479 Ba\n0.250000 0.495918 0.878521 Ba\n0.750000 0.670465 0.374551 Li\n0.250000 0.329535 0.625449 Li\n0.750000 0.824967 0.585454 Mo\n0.250000 0.175033 0.414546 Mo\n0.750000 0.527412 0.725731 Mo\n0.250000 0.472588 0.274269 Mo\n0.504494 0.441288 0.674164 N\n0.004494 0.558712 0.325836 N\n0.495506 0.558712 0.325836 N\n0.995506 0.441288 0.674164 N\n0.750000 0.680111 0.662754 N\n0.250000 0.319889 0.337246 N\n0.750000 0.951107 0.704438 N\n0.250000 0.048893 0.295562 N\n0.507431 0.831353 0.489018 N\n0.007431 0.168647 0.510982 N\n0.492569 0.168647 0.510982 N\n0.992569 0.831353 0.489018 N\n0.750000 0.561786 0.890150 N\n0.250000 0.438214 0.109850 N\n0.750000 0.794596 0.166948 Cl\n0.250000 0.205404 0.833052 Cl\n0.750000 0.211220 0.142197 Cl\n0.250000 0.788780 0.857803 Cl\n",
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],
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"formula_full": "Ba10 Li2 Mo4 N14 Cl4",
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}
]
}