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{
"id": "jvasp-85862",
"created_at": "2022-09-04T14:35:53.537311Z",
"updated_at": "2022-09-04T14:35:53.537337Z",
"structure_string": "Sn4 Pd8\n1.0\n0.000000 -0.000000 -4.366898\n0.000000 -5.757232 0.000000\n-8.251211 0.000000 0.000000\nSn Pd\n4 8\ndirect\n0.750000 0.794659 0.112024 Sn\n0.750000 0.294659 0.387976 Sn\n0.250000 0.205341 0.887976 Sn\n0.250000 0.705341 0.612024 Sn\n0.750000 0.450488 0.708053 Pd\n0.750000 0.950488 0.791946 Pd\n0.250000 0.549511 0.291946 Pd\n0.250000 0.049512 0.208054 Pd\n0.750000 0.328687 0.060593 Pd\n0.750000 0.828687 0.439407 Pd\n0.250000 0.671313 0.939407 Pd\n0.250000 0.171313 0.560593 Pd\n",
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{
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"created_at": "2022-09-04T14:36:01.868832Z",
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"structure_string": "Sn4 Pd8\n1.0\n0.000000 0.000000 -4.366898\n0.000000 -5.757232 -0.000000\n-8.251210 0.000000 0.000000\nSn Pd\n4 8\ndirect\n0.750000 0.794659 0.112024 Sn\n0.750000 0.294659 0.387976 Sn\n0.250000 0.205341 0.887976 Sn\n0.250000 0.705341 0.612024 Sn\n0.750000 0.450488 0.708054 Pd\n0.750000 0.950488 0.791946 Pd\n0.250000 0.549511 0.291946 Pd\n0.250000 0.049512 0.208054 Pd\n0.750000 0.328687 0.060593 Pd\n0.750000 0.828687 0.439407 Pd\n0.250000 0.671313 0.939407 Pd\n0.250000 0.171313 0.560593 Pd\n",
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},
{
"id": "jvasp-14520",
"created_at": "2022-09-04T14:38:06.074464Z",
"updated_at": "2022-09-04T14:38:06.074496Z",
"structure_string": "Sn4 Pd4\n1.0\n3.954597 0.000000 0.000000\n-0.000000 6.237740 0.000000\n0.000000 0.000000 6.491712\nSn Pd\n4 4\ndirect\n0.750001 0.806798 0.591968 Sn\n0.250000 0.193202 0.408031 Sn\n0.750001 0.306798 0.908031 Sn\n0.250000 0.693202 0.091969 Sn\n0.750001 0.990385 0.190484 Pd\n0.250000 0.009615 0.809516 Pd\n0.750001 0.490385 0.309516 Pd\n0.250000 0.509615 0.690484 Pd\n",
"nsites": 8,
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"elements": [
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"density": 9.33799666549615,
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"volume": 160.13591499555122,
"volume_molar": 12.054512760432553,
"formula_full": "Sn4 Pd4",
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"formula_anonymous": "AB",
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"spacegroup": 62
},
{
"id": "jvasp-98491",
"created_at": "2022-09-04T14:36:20.774214Z",
"updated_at": "2022-09-04T14:36:20.774229Z",
"structure_string": "Sn2 P2 Cl18\n1.0\n6.923251 -0.019140 -0.693271\n-1.082173 8.753604 -1.580833\n-0.008309 0.058880 9.460873\nSn P Cl\n2 2 18\ndirect\n0.381455 0.361956 0.316148 Sn\n0.618545 0.638044 0.683852 Sn\n0.047832 0.186409 0.777030 P\n0.952168 0.813591 0.222970 P\n0.625237 0.411451 0.792549 Cl\n0.158946 0.904945 0.125007 Cl\n0.841054 0.095055 0.874993 Cl\n0.741570 0.944193 0.232288 Cl\n0.258430 0.055807 0.767712 Cl\n0.059497 0.800784 0.419741 Cl\n0.940503 0.199215 0.580259 Cl\n0.150911 0.389334 0.886646 Cl\n0.849089 0.610666 0.113354 Cl\n0.724186 0.483006 0.446780 Cl\n0.483763 0.774621 0.889111 Cl\n0.516237 0.225378 0.110889 Cl\n0.960836 0.718141 0.763642 Cl\n0.039164 0.281858 0.236358 Cl\n0.583522 0.847398 0.555124 Cl\n0.416478 0.152602 0.444876 Cl\n0.374763 0.588549 0.207451 Cl\n0.275814 0.516994 0.553220 Cl\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Cl-P-Sn",
"density": 2.713110808034437,
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"volume": 573.8029983037129,
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"formula_full": "Sn2 P2 Cl18",
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"spacegroup": 2
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{
"id": "jvasp-56274",
"created_at": "2022-09-04T14:37:49.994023Z",
"updated_at": "2022-09-04T14:37:49.994050Z",
"structure_string": "Sn2 P2 Cl18\n1.0\n6.195717 0.000000 -0.000000\n0.000000 9.708417 -3.194200\n-0.000000 -0.080439 10.220068\nSn P Cl\n2 2 18\ndirect\n0.886466 0.250000 0.750000 Sn\n0.113534 0.750000 0.250000 Sn\n0.500000 0.750000 0.750000 P\n0.500000 0.250000 0.250000 P\n0.874847 0.398793 0.601207 Cl\n0.730384 0.431290 0.931290 Cl\n0.125154 0.601207 0.398793 Cl\n0.729247 0.750000 0.250000 Cl\n0.315201 0.587613 0.723869 Cl\n0.269617 0.931290 0.431290 Cl\n0.269617 0.568710 0.068710 Cl\n0.315201 0.912387 0.776132 Cl\n0.315201 0.276132 0.412387 Cl\n0.270754 0.250000 0.750000 Cl\n0.125154 0.898793 0.101207 Cl\n0.684800 0.412387 0.276132 Cl\n0.684800 0.723869 0.587613 Cl\n0.684800 0.776132 0.912387 Cl\n0.315201 0.223869 0.087613 Cl\n0.730384 0.068710 0.568710 Cl\n0.684800 0.087613 0.223869 Cl\n0.874847 0.101207 0.898793 Cl\n",
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"volume": 613.1513489689577,
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"formula_full": "Sn2 P2 Cl18",
"formula_reduced": "SnPCl9",
"formula_anonymous": "ABC9",
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{
"id": "jvasp-118119",
"created_at": "2022-09-04T14:38:50.714797Z",
"updated_at": "2022-09-04T14:38:50.714817Z",
"structure_string": "Sn1 P1 Cl2\n1.0\n3.932836 0.000000 0.000000\n0.000000 3.932836 0.000000\n0.000000 0.000000 7.129228\nSn P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.738101 Sn\n0.000000 0.000000 0.788955 P\n0.000000 0.000000 0.080454 Cl\n0.500000 0.500000 0.402490 Cl\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03627486576098476,
"volume": 110.26918821301825,
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"formula_full": "Sn1 P1 Cl2",
"formula_reduced": "SnPCl2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-118120",
"created_at": "2022-09-04T14:38:52.636018Z",
"updated_at": "2022-09-04T14:38:52.636034Z",
"structure_string": "Sn1 P1 Cl1\n1.0\n2.999159 0.000000 -0.000000\n-0.000000 2.999159 0.000000\n0.000000 -0.000000 8.055741\nSn P Cl\n1 1 1\ndirect\n0.000000 0.000000 0.652324 Sn\n0.000000 0.000000 0.287655 P\n0.000000 0.000000 0.024753 Cl\n",
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"elements": [
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"formula_full": "Sn1 P1 Cl1",
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},
{
"id": "jvasp-118121",
"created_at": "2022-09-04T14:38:31.376328Z",
"updated_at": "2022-09-04T14:38:31.376361Z",
"structure_string": "Sn1 P1 Cl1\n1.0\n5.086299 -0.000000 0.000000\n-2.543149 4.404864 -0.000000\n-0.000000 -0.000000 3.018874\nSn P Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sn\n0.333333 0.666665 0.000000 P\n0.000000 0.000000 0.000000 Cl\n",
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},
{
"id": "jvasp-99931",
"created_at": "2022-09-04T14:36:38.782803Z",
"updated_at": "2022-09-04T14:36:38.782823Z",
"structure_string": "Sn1 Pb1 Se2\n1.0\n4.149725 0.001558 6.257302\n1.887464 3.695633 6.257302\n0.002543 0.001558 7.508264\nSn Pb Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pb\n0.247703 0.247703 0.247703 Se\n0.752296 0.752297 0.752296 Se\n",
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},
{
"id": "jvasp-108076",
"created_at": "2022-09-04T14:38:18.384924Z",
"updated_at": "2022-09-04T14:38:18.384944Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n4.124458 0.000000 0.000000\n0.000000 4.333286 0.000000\n0.000000 0.000000 11.630510\nSn Pb S\n2 2 4\ndirect\n0.500000 0.381892 0.373543 Sn\n0.500000 0.618109 0.873543 Sn\n-0.000000 0.127419 0.617048 Pb\n-0.000000 0.872582 0.117048 Pb\n-0.000000 0.215881 0.858371 S\n-0.000000 0.784120 0.358371 S\n0.500000 0.311956 0.151039 S\n0.500000 0.688045 0.651039 S\n",
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"formula_full": "Sn2 Pb2 S4",
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"spacegroup": 26
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{
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"structure_string": "Sn2 Pb2 S4\n1.0\n0.000000 3.180053 0.000000\n0.000000 0.000000 3.841111\n19.046626 0.000000 0.000000\nSn Pb S\n2 2 4\ndirect\n0.500000 0.000218 0.412612 Sn\n0.500000 -0.000218 0.912612 Sn\n0.500000 0.500554 0.584744 Pb\n0.500000 0.499445 0.084744 Pb\n0.500000 0.500205 0.325520 S\n0.500000 0.499795 0.825520 S\n0.500000 0.000536 0.677624 S\n0.500000 -0.000536 0.177624 S\n",
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{
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"created_at": "2022-09-04T14:37:48.699404Z",
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"structure_string": "Sn1 Pb1 S2\n1.0\n4.007153 -0.000629 6.045707\n1.821201 3.569384 6.045707\n-0.001027 -0.000629 7.253126\nSn Pb S\n1 1 2\ndirect\n0.500000 0.499999 0.500002 Sn\n0.000000 0.000000 0.000000 Pb\n0.247560 0.247560 0.247561 S\n0.752439 0.752438 0.752442 S\n",
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}