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{
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"results": [
{
"id": "mp-557644",
"created_at": "2022-09-04T14:42:27.817102Z",
"structure_string": "Ag4 P4 Pb2 O14\n1.0\n5.494864 -0.038649 -0.350436\n-2.680592 6.223329 -2.137335\n0.069407 -0.051425 10.423726\nAg P Pb O\n4 4 2 14\ndirect\n0.663173 0.895998 0.193682 Ag\n0.908263 0.229897 0.973051 Ag\n0.091737 0.770103 0.026949 Ag\n0.336827 0.104002 0.806318 Ag\n0.490523 0.364891 0.163399 P\n0.509477 0.635109 0.836601 P\n0.729897 0.847296 0.638230 P\n0.270103 0.152704 0.361770 P\n0.856725 0.367221 0.630975 Pb\n0.143275 0.632779 0.369025 Pb\n0.781151 0.083730 0.727427 O\n0.692217 0.839474 0.955719 O\n0.026407 0.205386 0.340866 O\n0.216702 0.548502 0.851152 O\n0.218849 0.916270 0.272573 O\n0.619496 0.457008 0.806771 O\n0.380504 0.542992 0.193229 O\n0.495648 0.695262 0.697466 O\n0.504352 0.304738 0.302534 O\n0.612966 0.791957 0.489426 O\n0.387034 0.208043 0.510574 O\n0.973593 0.794614 0.659134 O\n0.783298 0.451498 0.148848 O\n0.307783 0.160526 0.044281 O\n",
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"formula_full": "Ag4 P4 Pb2 O14",
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"spacegroup": 2
},
{
"id": "mp-1190325",
"created_at": "2022-09-04T14:46:37.799965Z",
"structure_string": "Ag4 P4 Pd2 O14\n1.0\n2.905196 8.009935 0.000000\n-2.905196 8.009935 0.000000\n0.000000 3.777948 7.435290\nAg P Pd O\n4 4 2 14\ndirect\n0.624615 0.906497 0.793733 Ag\n0.093503 0.375385 0.706267 Ag\n0.375385 0.093503 0.206267 Ag\n0.906497 0.624615 0.293733 Ag\n0.241572 0.556715 0.842101 P\n0.443285 0.758428 0.657899 P\n0.758428 0.443285 0.157899 P\n0.556715 0.241572 0.342101 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.698812 0.658598 0.595281 O\n0.341402 0.301188 0.904719 O\n0.301188 0.341402 0.404719 O\n0.658598 0.698812 0.095281 O\n0.473814 0.526186 0.750000 O\n0.526186 0.473814 0.250000 O\n0.292153 0.919145 0.805001 O\n0.080855 0.707847 0.694999 O\n0.707847 0.080855 0.194999 O\n0.919145 0.292153 0.305001 O\n0.688968 0.103281 0.505022 O\n0.896719 0.311032 0.994978 O\n0.311032 0.896719 0.494978 O\n0.103281 0.688968 0.005022 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Ag-O-P-Pd",
"density": 4.761192507145591,
"density_atomic": 0.06935518022597412,
"volume": 346.0448076380572,
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"formula_full": "Ag4 P4 Pd2 O14",
"formula_reduced": "Ag2P2PdO7",
"formula_anonymous": "AB2C2D7",
"energy": -155.52326285,
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"updated_at": "2021-11-28T01:37:42.763000Z",
"spacegroup": 15
},
{
"id": "mp-667327",
"created_at": "2022-09-04T14:44:05.758111Z",
"structure_string": "Ag8 Pb32 Cl16 O28\n1.0\n18.413755 0.000000 0.000000\n0.000000 8.262542 0.000000\n0.000000 8.215104 12.703628\nAg Pb Cl O\n8 32 16 28\ndirect\n0.548695 0.981178 0.899211 Ag\n0.967133 0.483177 0.386847 Ag\n0.032867 0.516823 0.613153 Ag\n0.951305 0.981178 0.399211 Ag\n0.048695 0.018822 0.600789 Ag\n0.532867 0.483177 0.886847 Ag\n0.467133 0.516823 0.113153 Ag\n0.451305 0.018822 0.100789 Ag\n0.085654 0.880808 0.990420 Pb\n0.393409 0.364712 0.761287 Pb\n0.589650 0.660738 0.463472 Pb\n0.204594 0.597496 0.773986 Pb\n0.106591 0.364712 0.261287 Pb\n0.755333 0.373670 0.498449 Pb\n0.704594 0.402504 0.726014 Pb\n0.244667 0.626330 0.501551 Pb\n0.771085 0.883742 0.245550 Pb\n0.228915 0.116258 0.754450 Pb\n0.295406 0.597496 0.273986 Pb\n0.253362 0.114058 0.001682 Pb\n0.414346 0.880808 0.490420 Pb\n0.105915 0.859981 0.258913 Pb\n0.910350 0.660738 0.963472 Pb\n0.728915 0.883742 0.745550 Pb\n0.605915 0.140019 0.241087 Pb\n0.744667 0.373670 0.998449 Pb\n0.089650 0.339262 0.036528 Pb\n0.753362 0.885942 0.498318 Pb\n0.585654 0.119192 0.509580 Pb\n0.746638 0.885942 0.998318 Pb\n0.271085 0.116258 0.254450 Pb\n0.255333 0.626330 0.001551 Pb\n0.410350 0.339262 0.536528 Pb\n0.893409 0.635288 0.738713 Pb\n0.606591 0.635288 0.238713 Pb\n0.914346 0.119192 0.009580 Pb\n0.246638 0.114058 0.501682 Pb\n0.894085 0.140019 0.741087 Pb\n0.394085 0.859981 0.758913 Pb\n0.795406 0.402504 0.226014 Pb\n0.089454 0.379379 0.501060 Cl\n0.069417 0.333579 0.802410 Cl\n0.412453 0.879119 0.987573 Cl\n0.431751 0.813688 0.295001 Cl\n0.568249 0.186312 0.704999 Cl\n0.569417 0.666421 0.697590 Cl\n0.430583 0.333579 0.302410 Cl\n0.931751 0.186312 0.204999 Cl\n0.087547 0.879119 0.487573 Cl\n0.910546 0.620621 0.498940 Cl\n0.068249 0.813688 0.795001 Cl\n0.589454 0.620621 0.998940 Cl\n0.587547 0.120881 0.012427 Cl\n0.912453 0.120881 0.512427 Cl\n0.410546 0.379379 0.001060 Cl\n0.930583 0.666421 0.197590 Cl\n0.868217 0.990985 0.918499 O\n0.704586 0.060990 0.569159 O\n0.225653 0.320632 0.315424 O\n0.301221 0.420754 0.453108 O\n0.776176 0.208843 0.685367 O\n0.295414 0.939010 0.430841 O\n0.223824 0.791157 0.314633 O\n0.861896 0.840115 0.787810 O\n0.698779 0.579246 0.546892 O\n0.795414 0.060990 0.069159 O\n0.774347 0.679368 0.684576 O\n0.204586 0.939010 0.930841 O\n0.725653 0.679368 0.184576 O\n0.361896 0.159885 0.712190 O\n0.801221 0.579246 0.046892 O\n0.138104 0.159885 0.212190 O\n0.723824 0.208843 0.185367 O\n0.274347 0.320632 0.815424 O\n0.631783 0.990985 0.418499 O\n0.367728 0.571184 0.584939 O\n0.632272 0.428816 0.415061 O\n0.131783 0.009015 0.081501 O\n0.638104 0.840115 0.287810 O\n0.368217 0.009015 0.581501 O\n0.867728 0.428816 0.915061 O\n0.276176 0.791157 0.814633 O\n0.132272 0.571184 0.084939 O\n0.198779 0.420754 0.953108 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"Pb",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O-Pb",
"density": 7.310081388744856,
"density_atomic": 0.04346057597839915,
"volume": 1932.7861655986756,
"volume_molar": 13.856559938352255,
"formula_full": "Ag8 Pb32 Cl16 O28",
"formula_reduced": "Ag2Pb8Cl4O7",
"formula_anonymous": "A2B4C7D8",
"energy": -425.73822079,
"energy_per_atom": -5.068312152261905,
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"updated_at": "2021-11-28T01:36:33.665000Z",
"spacegroup": 14
},
{
"id": "mp-1229102",
"created_at": "2022-09-04T14:43:06.985050Z",
"structure_string": "Ag2 Pb1 I4\n1.0\n-3.187908 3.187908 6.279560\n3.187908 -3.187908 6.279560\n3.187908 3.187908 -6.279560\nAg Pb I\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 I\n0.244664 0.244664 0.000000 I\n0.500000 0.000000 0.500000 I\n0.755336 0.755336 0.000000 I\n",
"nsites": 7,
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"elements": [
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],
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"volume": 255.27057984852271,
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"formula_full": "Ag2 Pb1 I4",
"formula_reduced": "Ag2PbI4",
"formula_anonymous": "AB2C4",
"energy": -19.401927200000003,
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"band_gap": 0.9013999999999998,
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"updated_at": "2021-11-28T01:35:58.965000Z",
"spacegroup": 139
},
{
"id": "mp-20210",
"created_at": "2022-09-04T14:45:39.372128Z",
"structure_string": "Ag4 Pb2 O4\n1.0\n4.519256 4.421718 0.000000\n-4.519256 4.421718 0.000000\n0.000000 4.122786 4.658450\nAg Pb O\n4 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.883951 0.116049 0.250000 Pb\n0.116049 0.883951 0.750000 Pb\n0.863764 0.750958 0.260851 O\n0.136236 0.249042 0.739149 O\n0.249042 0.136236 0.239149 O\n0.750958 0.863764 0.760851 O\n",
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"elements": [
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"O"
],
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"density": 8.115199770765546,
"density_atomic": 0.053711908126650325,
"volume": 186.178453694485,
"volume_molar": 11.211928546273306,
"formula_full": "Ag4 Pb2 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 15
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{
"id": "mp-1096329",
"created_at": "2022-09-04T14:41:11.272961Z",
"structure_string": "Ag2 Pd1 Au1\n1.0\n-5.298592 5.582214 7.875646\n5.298592 -5.582214 7.875646\n5.298592 5.582214 -7.875646\nAg Pd Au\n2 1 1\ndirect\n0.000000 0.251149 0.251149 Ag\n0.000000 0.748851 0.748851 Ag\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Ag2 Pd1 Au1",
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"spacegroup": 71
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{
"id": "mp-28557",
"created_at": "2022-09-04T14:46:33.445457Z",
"structure_string": "Ag4 Pd2 Cl8\n1.0\n4.172269 -5.052904 0.000000\n4.172269 5.052904 0.000000\n0.000000 0.000000 8.247566\nAg Pd Cl\n4 2 8\ndirect\n0.028808 0.528808 0.750000 Ag\n0.471192 0.971192 0.250000 Ag\n0.528808 0.028808 0.750000 Ag\n0.971192 0.471192 0.250000 Ag\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.192693 0.192693 0.794698 Cl\n0.307307 0.307307 0.294698 Cl\n0.692693 0.692693 0.705302 Cl\n0.807307 0.807307 0.205302 Cl\n0.730231 0.269769 0.500000 Cl\n0.769769 0.230231 0.000000 Cl\n0.230231 0.769769 0.000000 Cl\n0.269769 0.730231 0.500000 Cl\n",
"nsites": 14,
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"volume": 347.7516053266711,
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"formula_full": "Ag4 Pd2 Cl8",
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{
"id": "mp-1195817",
"created_at": "2022-09-04T14:41:17.313995Z",
"structure_string": "Ag8 Pd4 N16 O32\n1.0\n15.042869 0.000000 0.000000\n0.000000 7.720030 0.000000\n0.000000 4.701600 7.160239\nAg Pd N O\n8 4 16 32\ndirect\n0.839667 0.153238 0.921998 Ag\n0.660333 0.153238 0.421998 Ag\n0.160333 0.846762 0.078002 Ag\n0.339667 0.846762 0.578002 Ag\n0.921748 0.723793 0.774274 Ag\n0.578252 0.723793 0.274274 Ag\n0.078252 0.276207 0.225726 Ag\n0.421748 0.276207 0.725726 Ag\n0.868380 0.705217 0.338372 Pd\n0.631620 0.705217 0.838372 Pd\n0.131620 0.294783 0.661628 Pd\n0.368380 0.294783 0.161628 Pd\n0.777077 0.473550 0.416272 N\n0.722923 0.473550 0.916272 N\n0.222923 0.526450 0.583728 N\n0.277077 0.526450 0.083728 N\n0.964396 0.927785 0.272963 N\n0.535604 0.927785 0.772963 N\n0.035604 0.072215 0.727037 N\n0.464396 0.072215 0.227037 N\n0.952343 0.553322 0.258436 N\n0.547657 0.553322 0.758436 N\n0.047657 0.446678 0.741564 N\n0.452343 0.446678 0.241564 N\n0.781916 0.863356 0.406860 N\n0.718084 0.863356 0.906860 N\n0.218084 0.136644 0.593140 N\n0.281916 0.136644 0.093140 N\n0.699027 0.866991 0.384168 O\n0.800973 0.866991 0.884168 O\n0.300973 0.133009 0.615832 O\n0.199027 0.133009 0.115832 O\n0.813783 0.968358 0.463365 O\n0.686217 0.968358 0.963365 O\n0.186217 0.031642 0.536635 O\n0.313783 0.031642 0.036635 O\n0.921688 0.469290 0.180720 O\n0.578312 0.469290 0.680720 O\n0.078312 0.530710 0.819280 O\n0.421688 0.530710 0.319280 O\n0.715248 0.502346 0.305413 O\n0.784752 0.502346 0.805413 O\n0.284752 0.497654 0.694587 O\n0.215248 0.497654 0.194587 O\n0.785838 0.301988 0.564403 O\n0.714162 0.301988 0.064403 O\n0.214162 0.698012 0.435597 O\n0.285838 0.698012 0.935597 O\n0.033971 0.539693 0.294708 O\n0.466029 0.539693 0.794708 O\n0.966029 0.460307 0.705292 O\n0.533971 0.460307 0.205292 O\n0.019350 0.903558 0.391080 O\n0.480650 0.903558 0.891080 O\n0.980650 0.096442 0.608920 O\n0.519350 0.096442 0.108920 O\n0.965095 0.096776 0.113680 O\n0.534905 0.096776 0.613680 O\n0.034905 0.903224 0.886320 O\n0.465095 0.903224 0.386320 O\n",
"nsites": 60,
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"elements": [
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"density": 4.043295823777951,
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"volume": 831.528579161653,
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"formula_full": "Ag8 Pd4 N16 O32",
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"energy": -370.25070177,
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"updated_at": "2021-11-28T01:35:14.061000Z",
"spacegroup": 14
},
{
"id": "mp-5495",
"created_at": "2022-09-04T14:43:07.558172Z",
"structure_string": "Ag2 Pd1 O2\n1.0\n-1.528638 2.298057 5.105635\n1.528638 -2.298057 5.105635\n1.528638 2.298057 -5.105635\nAg Pd O\n2 1 2\ndirect\n0.359412 0.359412 0.000000 Ag\n0.640588 0.640588 0.000000 Ag\n0.000000 0.000000 0.000000 Pd\n0.137127 0.637127 0.500000 O\n0.862873 0.362873 0.500000 O\n",
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"formula_full": "Ag2 Pd1 O2",
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"formula_anonymous": "AB2C2",
"energy": -23.11825807,
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