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{
"id": "jvasp-37338",
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"updated_at": "2022-09-04T14:38:01.163755Z",
"structure_string": "Sn1 Pb1 O3\n1.0\n4.112721 -0.000000 -0.000000\n-0.000000 4.112721 -0.000000\n0.000000 0.000000 4.112721\nSn Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Sn4 Pb8 O16\n1.0\n6.442159 0.000000 0.000000\n0.000000 8.806419 0.000000\n0.000000 -0.000000 8.851024\nSn Pb O\n4 8 16\ndirect\n0.750053 0.000000 0.500000 Sn\n0.249947 0.500000 0.000000 Sn\n0.249947 0.000000 0.500000 Sn\n0.750053 0.500000 0.000000 Sn\n0.500000 0.359550 0.339548 Pb\n0.500000 0.859550 0.160452 Pb\n0.500000 0.140450 0.839548 Pb\n0.000000 0.840814 0.857896 Pb\n0.000000 0.159187 0.142103 Pb\n0.000000 0.340814 0.642103 Pb\n0.000000 0.659187 0.357897 Pb\n0.500000 0.640450 0.660452 Pb\n0.249978 0.666262 0.833891 O\n0.249978 0.333738 0.166108 O\n0.500000 0.096119 0.375031 O\n0.249978 0.166262 0.666108 O\n0.249978 0.833738 0.333892 O\n0.750022 0.666262 0.833891 O\n0.750022 0.333738 0.166108 O\n0.000000 0.374188 0.904486 O\n0.000000 0.625812 0.095514 O\n0.000000 0.874188 0.595513 O\n0.000000 0.125812 0.404486 O\n0.500000 0.403881 0.875031 O\n0.500000 0.596119 0.124969 O\n0.500000 0.903881 0.624968 O\n0.750022 0.833738 0.333892 O\n0.750022 0.166262 0.666108 O\n",
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"formula_full": "Sn4 Pb8 O16",
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{
"id": "jvasp-116398",
"created_at": "2022-09-04T14:38:31.116187Z",
"updated_at": "2022-09-04T14:38:31.116220Z",
"structure_string": "Sn1 Pb1 O2\n1.0\n3.452078 0.000000 0.000000\n0.000000 3.452078 0.000000\n0.000000 -0.000000 6.035748\nSn Pb O\n1 1 2\ndirect\n0.500001 0.500001 0.529105 Sn\n0.000000 0.000000 -0.008837 Pb\n0.000000 0.000000 0.610660 O\n0.500001 0.500001 0.879073 O\n",
"nsites": 4,
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"elements": [
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"density": 8.262836795263107,
"density_atomic": 0.05561189473427612,
"volume": 71.92705839484047,
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"formula_full": "Sn1 Pb1 O2",
"formula_reduced": "SnPbO2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-100447",
"created_at": "2022-09-04T14:36:40.814591Z",
"updated_at": "2022-09-04T14:36:40.814610Z",
"structure_string": "Sn2 Pb2 N4\n1.0\n4.033410 0.000000 -0.000000\n0.000000 4.033410 0.000000\n0.000000 0.000000 8.195612\nSn Pb N\n2 2 4\ndirect\n0.750000 0.750000 0.605332 Sn\n0.250000 0.250000 0.394668 Sn\n0.750000 0.750000 0.134988 Pb\n0.250000 0.250000 0.865012 Pb\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.857110 N\n0.250000 0.250000 0.142889 N\n",
"nsites": 8,
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"elements": [
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"Pb",
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],
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"density": 8.815810362199633,
"density_atomic": 0.06000174154405114,
"volume": 133.32946334777108,
"volume_molar": 10.036609946694231,
"formula_full": "Sn2 Pb2 N4",
"formula_reduced": "SnPbN2",
"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-12342",
"created_at": "2022-09-04T14:38:13.770757Z",
"updated_at": "2022-09-04T14:38:13.770775Z",
"structure_string": "Sn2 Pb2 F8\n1.0\n4.390267 -0.000000 0.000000\n0.000000 4.390267 -0.000000\n0.000000 -0.000000 10.191161\nSn Pb F\n2 2 8\ndirect\n0.500000 0.000000 0.128784 Sn\n0.000000 0.500000 0.871216 Sn\n0.500000 0.000000 0.621095 Pb\n0.000000 0.500000 0.378905 Pb\n0.500000 0.000000 0.336033 F\n0.000000 0.500000 0.663967 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.500000 0.500000 0.191592 F\n0.000000 0.000000 0.191592 F\n0.000000 0.000000 0.808408 F\n0.500000 0.500000 0.808408 F\n",
"nsites": 12,
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"elements": [
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"F"
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"density": 6.795094082174539,
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"volume": 196.4289653657035,
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"formula_full": "Sn2 Pb2 F8",
"formula_reduced": "SnPbF4",
"formula_anonymous": "ABC4",
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"spacegroup": 129
},
{
"id": "jvasp-101117",
"created_at": "2022-09-04T14:37:00.829548Z",
"updated_at": "2022-09-04T14:37:00.829566Z",
"structure_string": "Sn1 Pb4 Se5\n1.0\n4.369821 0.022047 17.470259\n2.170379 3.792793 17.470259\n0.037797 0.022047 18.008438\nSn Pb Se\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.600887 0.600887 0.600886 Pb\n0.200292 0.200292 0.200292 Pb\n0.799708 0.799709 0.799708 Pb\n0.399113 0.399114 0.399113 Pb\n0.698619 0.698620 0.698619 Se\n0.500000 0.500000 0.500000 Se\n0.099389 0.099389 0.099389 Se\n0.301381 0.301381 0.301381 Se\n0.900611 0.900612 0.900611 Se\n",
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"elements": [
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"Pb",
"Se"
],
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"density": 7.574535457560253,
"density_atomic": 0.03398240252460489,
"volume": 294.2699531841376,
"volume_molar": 17.721350795134867,
"formula_full": "Sn1 Pb4 Se5",
"formula_reduced": "SnPb4Se5",
"formula_anonymous": "AB4C5",
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"spacegroup": 166
},
{
"id": "jvasp-104930",
"created_at": "2022-09-04T14:36:58.098267Z",
"updated_at": "2022-09-04T14:36:58.098285Z",
"structure_string": "Sn1 Pb4 S5\n1.0\n4.156377 -0.022511 -14.633016\n-0.102266 4.155180 -14.633016\n0.022083 0.022511 15.211842\nSn Pb S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.400686 0.400686 -0.000000 Pb\n0.800325 0.800325 -0.000001 Pb\n0.199675 0.199675 -0.000000 Pb\n0.599314 0.599314 -0.000000 Pb\n0.500000 0.500000 -0.000000 S\n0.700323 0.700323 -0.000000 S\n0.098084 0.098085 -0.000000 S\n0.901915 0.901916 -0.000001 S\n0.299677 0.299677 -0.000000 S\n",
"nsites": 10,
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"elements": [
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"Pb",
"S"
],
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"density": 6.930553744106415,
"density_atomic": 0.03767417549199762,
"volume": 265.4338116072136,
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"formula_full": "Sn1 Pb4 S5",
"formula_reduced": "SnPb4S5",
"formula_anonymous": "AB4C5",
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"spacegroup": 139
},
{
"id": "jvasp-105256",
"created_at": "2022-09-04T14:36:56.030423Z",
"updated_at": "2022-09-04T14:36:56.030441Z",
"structure_string": "Sn2 Pb6\n1.0\n6.984667 0.000000 0.000000\n-3.492334 6.048899 0.000000\n0.000000 -0.000000 5.817887\nSn Pb\n2 6\ndirect\n0.333334 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.168307 0.336614 0.250000 Pb\n0.663387 0.831693 0.250000 Pb\n0.168307 0.831693 0.250000 Pb\n0.831694 0.663386 0.750000 Pb\n0.336614 0.168307 0.750000 Pb\n0.831694 0.168307 0.750000 Pb\n",
"nsites": 8,
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"elements": [
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"density": 10.002426955752934,
"density_atomic": 0.032546378187504554,
"volume": 245.80307995902962,
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"formula_full": "Sn2 Pb6",
"formula_reduced": "SnPb3",
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"spacegroup": 194
},
{
"id": "jvasp-39081",
"created_at": "2022-09-04T14:38:02.625410Z",
"updated_at": "2022-09-04T14:38:02.625440Z",
"structure_string": "Sn1 Pb1\n1.0\n1.728895 -2.994534 0.000000\n1.728895 2.994534 -0.000000\n-0.000000 0.000000 5.760746\nSn Pb\n1 1\ndirect\n0.666668 0.333335 0.500000 Sn\n0.333335 0.666668 0.000000 Pb\n",
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"elements": [
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"volume": 59.649470020804614,
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"formula_full": "Sn1 Pb1",
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},
{
"id": "jvasp-19033",
"created_at": "2022-09-04T14:38:10.239449Z",
"updated_at": "2022-09-04T14:38:10.239473Z",
"structure_string": "Sn2 P14 Au6\n1.0\n0.000000 6.388321 -0.007486\n11.143644 0.000000 0.000000\n0.000000 -2.096028 -6.180800\nSn P Au\n2 14 6\ndirect\n0.688874 0.250000 0.961133 Sn\n0.311125 0.750000 0.038867 Sn\n0.719523 0.592529 0.804452 P\n0.280476 0.092529 0.195548 P\n0.834676 0.578390 0.166168 P\n0.165324 0.078390 0.833833 P\n0.165324 0.421610 0.833833 P\n0.719523 0.907470 0.804452 P\n0.834676 0.921610 0.166168 P\n0.201180 0.911496 0.290333 P\n0.798820 0.411496 0.709668 P\n0.798820 0.088504 0.709668 P\n0.201180 0.588503 0.290333 P\n0.736505 0.750000 0.286283 P\n0.263494 0.250000 0.713718 P\n0.280476 0.407470 0.195548 P\n0.069194 0.250000 0.317388 Au\n0.315586 0.599211 0.686215 Au\n0.684414 0.099211 0.313786 Au\n0.684414 0.400789 0.313786 Au\n0.315586 0.900788 0.686215 Au\n0.930806 0.750000 0.682613 Au\n",
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],
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"density": 6.989701788113623,
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"volume": 440.18090614742715,
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"formula_full": "Sn2 P14 Au6",
"formula_reduced": "SnP7Au3",
"formula_anonymous": "AB3C7",
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"spacegroup": 11
},
{
"id": "jvasp-15822",
"created_at": "2022-09-04T14:35:56.686644Z",
"updated_at": "2022-09-04T14:35:56.686672Z",
"structure_string": "Sn2 P6\n1.0\n5.593711 0.032338 0.628381\n0.565327 5.565164 0.628381\n0.035581 0.032338 5.628783\nSn P\n2 6\ndirect\n0.744201 0.744200 0.744200 Sn\n0.255800 0.255800 0.255799 Sn\n0.202020 0.202020 0.743173 P\n0.202020 0.743173 0.202019 P\n0.797980 0.256827 0.797979 P\n0.797981 0.797980 0.256826 P\n0.256827 0.797980 0.797980 P\n0.743173 0.202020 0.202019 P\n",
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"volume": 174.8947715071322,
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"formula_full": "Sn2 P6",
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"spacegroup": 166
},
{
"id": "jvasp-87936",
"created_at": "2022-09-04T14:36:12.713133Z",
"updated_at": "2022-09-04T14:36:12.713143Z",
"structure_string": "Sn4 P8 Pb4 O32\n1.0\n4.867701 -0.008464 0.000000\n-0.476812 8.919958 0.000000\n0.000000 0.000000 14.783081\nSn P Pb O\n4 8 4 32\ndirect\n0.763731 0.951145 0.641842 Sn\n0.736269 0.548856 0.141842 Sn\n0.236269 0.048855 0.358158 Sn\n0.263731 0.451145 0.858158 Sn\n0.242024 0.795380 0.523694 P\n0.742024 0.295380 0.976306 P\n0.757976 0.204621 0.476306 P\n0.714724 0.888003 0.235510 P\n0.785277 0.611998 0.735510 P\n0.285277 0.111998 0.764490 P\n0.214723 0.388002 0.264490 P\n0.257976 0.704621 0.023694 P\n0.780534 0.904952 0.902031 Pb\n0.280534 0.404952 0.597968 Pb\n0.219467 0.095048 0.097968 Pb\n0.719467 0.595048 0.402032 Pb\n0.361952 0.285044 0.765981 O\n0.138048 0.214956 0.265981 O\n0.638048 0.714956 0.234019 O\n0.861953 0.785044 0.734019 O\n0.395131 0.413547 0.178331 O\n0.104870 0.086453 0.678331 O\n0.604870 0.586454 0.821669 O\n0.895131 0.913547 0.321669 O\n0.900658 0.337378 0.889444 O\n0.064469 0.533858 0.746134 O\n0.599342 0.162623 0.389444 O\n0.099342 0.662623 0.110556 O\n0.400659 0.837378 0.610556 O\n0.438408 0.338945 0.963541 O\n0.061592 0.161056 0.463541 O\n0.561592 0.661056 0.036459 O\n0.938409 0.838945 0.536459 O\n0.862880 0.376225 0.061864 O\n0.637120 0.123775 0.561864 O\n0.564468 0.033858 0.753865 O\n0.137121 0.623775 0.938136 O\n0.751215 0.373525 0.496276 O\n0.748785 0.126476 0.996275 O\n0.248786 0.626476 0.503724 O\n0.251215 0.873525 0.003724 O\n0.845322 0.944254 0.148404 O\n0.654679 0.555747 0.648404 O\n0.154679 0.055746 0.851596 O\n0.345322 0.444254 0.351596 O\n0.435532 0.966143 0.246135 O\n0.362880 0.876225 0.438136 O\n0.935532 0.466143 0.253865 O\n",
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],
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"density_atomic": 0.07478766017350925,
"volume": 641.8171111201874,
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"formula_full": "Sn4 P8 Pb4 O32",
"formula_reduced": "SnP2PbO8",
"formula_anonymous": "ABC2D8",
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"spacegroup": 14
}
]
}