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{
"id": "jvasp-36356",
"created_at": "2022-09-04T14:37:17.385144Z",
"updated_at": "2022-09-04T14:37:17.385169Z",
"structure_string": "Pd1 N1\n1.0\n2.211246 2.211246 -0.000000\n2.211246 -0.000000 -2.211246\n-0.000000 2.211246 -2.211246\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 N\n",
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{
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{
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"structure_string": "Pd3 N2\n1.0\n2.728765 -0.828308 0.730853\n-2.081718 3.605642 0.000000\n1.151811 0.664998 8.304885\nPd N\n3 2\ndirect\n0.368989 0.184494 0.315433 Pd\n0.631011 0.815505 0.684567 Pd\n0.000000 0.000000 0.000000 Pd\n0.550552 0.275276 0.724777 N\n0.449448 0.724723 0.275224 N\n",
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{
"id": "jvasp-37123",
"created_at": "2022-09-04T14:38:08.319727Z",
"updated_at": "2022-09-04T14:38:08.319757Z",
"structure_string": "Pd3 N1\n1.0\n4.068034 0.000000 0.000000\n-0.000000 4.068034 -0.000000\n0.000000 0.000000 4.068034\nPd N\n3 1\ndirect\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 N\n",
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"density_atomic": 0.05941639104974432,
"volume": 67.32149040575585,
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"spacegroup": 221
},
{
"id": "jvasp-100450",
"created_at": "2022-09-04T14:36:41.309266Z",
"updated_at": "2022-09-04T14:36:41.309282Z",
"structure_string": "Zr2 Pb2 N4\n1.0\n4.058386 -0.000000 0.000000\n0.000000 4.058386 -0.000000\n0.000000 0.000000 8.097622\nZr Pb N\n2 2 4\ndirect\n0.750001 0.750001 0.599144 Zr\n0.250000 0.250000 0.400855 Zr\n0.750001 0.750001 0.136495 Pb\n0.250000 0.250000 0.863505 Pb\n0.750001 0.250000 0.500000 N\n0.250000 0.750001 0.500000 N\n0.750001 0.750001 0.853558 N\n0.250000 0.250000 0.146442 N\n",
"nsites": 8,
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"elements": [
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"chemical_system": "N-Pb-Zr",
"density": 8.128582185307609,
"density_atomic": 0.05998266879477342,
"volume": 133.37185825077992,
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"formula_full": "Zr2 Pb2 N4",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-107375",
"created_at": "2022-09-04T14:36:59.492982Z",
"updated_at": "2022-09-04T14:36:59.493001Z",
"structure_string": "Zn1 Pb2 N2\n1.0\n3.185324 0.000486 -1.791286\n-2.096085 2.992815 -0.000000\n-0.030444 -0.021322 11.131981\nZn Pb N\n1 2 2\ndirect\n0.000001 0.000000 0.500000 Zn\n0.698157 0.349080 0.182569 Pb\n0.301842 0.650921 0.817431 Pb\n0.401201 0.200601 0.700437 N\n0.598798 0.799400 0.299562 N\n",
"nsites": 5,
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"volume": 105.89019882888067,
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"formula_full": "Zn1 Pb2 N2",
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{
"id": "jvasp-108954",
"created_at": "2022-09-04T14:38:16.981670Z",
"updated_at": "2022-09-04T14:38:16.981685Z",
"structure_string": "Zn2 Pb4 N4\n1.0\n3.614783 -0.000000 0.000000\n0.000000 6.337174 0.000000\n-0.000000 -0.000000 11.042748\nZn Pb N\n2 4 4\ndirect\n0.749999 0.342638 0.750000 Zn\n0.250000 0.657361 0.250000 Zn\n0.749999 0.737735 0.969171 Pb\n0.749999 0.737735 0.530829 Pb\n0.250000 0.262265 0.030829 Pb\n0.250000 0.262265 0.469171 Pb\n0.749999 0.374965 0.585468 N\n0.749999 0.374965 0.914532 N\n0.250000 0.625034 0.414532 N\n0.250000 0.625034 0.085468 N\n",
"nsites": 10,
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"elements": [
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"density": 6.667083930240531,
"density_atomic": 0.039531653094189545,
"volume": 252.96184746369292,
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"formula_full": "Zn2 Pb4 N4",
"formula_reduced": "Zn(PbN)2",
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"spacegroup": 59
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{
"id": "jvasp-112389",
"created_at": "2022-09-04T14:38:40.248886Z",
"updated_at": "2022-09-04T14:38:40.248902Z",
"structure_string": "V4 Pb8 N12\n1.0\n6.231629 -0.003978 0.000000\n9.834747 5.080385 0.000000\n-0.000000 -0.000000 12.632525\nV Pb N\n4 8 12\ndirect\n0.000000 0.254061 0.837529 V\n0.000001 0.745938 0.162471 V\n0.000000 0.245939 0.337529 V\n0.000001 0.754060 0.662471 V\n0.000001 0.364800 0.075542 Pb\n0.000002 0.864800 0.424457 Pb\n0.000000 0.135199 0.575542 Pb\n0.000001 0.635199 0.924457 Pb\n0.000000 0.062027 0.130508 Pb\n0.000001 0.562026 0.369492 Pb\n0.000001 0.437973 0.630508 Pb\n0.000002 0.937972 0.869491 Pb\n0.500001 0.519944 0.250000 N\n0.000000 0.148875 0.949902 N\n0.000002 0.851124 0.050098 N\n0.000001 0.351125 0.449902 N\n0.000001 0.648874 0.550097 N\n0.000001 0.407903 0.884935 N\n0.000001 0.592096 0.115064 N\n0.000000 0.092097 0.384935 N\n0.000002 0.907902 0.615064 N\n0.500001 0.480054 0.750000 N\n0.500000 0.019945 0.250000 N\n0.500002 0.980054 0.750000 N\n",
"nsites": 24,
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"elements": [
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],
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"density": 8.415926905249993,
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"formula_full": "V4 Pb8 N12",
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"spacegroup": 64
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{
"id": "jvasp-101758",
"created_at": "2022-09-04T14:36:56.364943Z",
"updated_at": "2022-09-04T14:36:56.364968Z",
"structure_string": "Sr1 Pb2 N2\n1.0\n3.606565 -0.000000 -0.000001\n-1.803282 3.123377 -0.000000\n0.000000 0.000000 9.307627\nSr Pb N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Sr\n0.666666 0.333334 0.188033 Pb\n0.333334 0.666667 0.811968 Pb\n0.666666 0.333334 0.673592 N\n0.333334 0.666667 0.326408 N\n",
"nsites": 5,
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"elements": [
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"density": 8.394506940851882,
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"volume": 104.84727375941712,
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"formula_full": "Sr1 Pb2 N2",
"formula_reduced": "Sr(PbN)2",
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},
{
"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",
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"volume": 133.32946334777108,
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"formula_reduced": "SnPbN2",
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},
{
"id": "jvasp-112721",
"created_at": "2022-09-04T14:38:42.992258Z",
"updated_at": "2022-09-04T14:38:42.992274Z",
"structure_string": "Si4 Pb4 N8\n1.0\n5.638939 -0.000000 0.000000\n0.000000 7.553679 0.000000\n-0.000000 -0.000000 5.150066\nSi Pb N\n4 4 8\ndirect\n0.513512 0.373854 0.002844 Si\n0.486488 0.626146 0.502845 Si\n0.986488 0.873854 0.502845 Si\n0.013512 0.126146 0.002844 Si\n0.568971 0.873797 0.019601 Pb\n0.431029 0.126204 0.519602 Pb\n0.931029 0.373797 0.519602 Pb\n0.068971 0.626204 0.019601 Pb\n0.505970 0.421066 0.336385 N\n0.494030 0.578935 0.836386 N\n0.994030 0.921066 0.836386 N\n0.005970 0.078934 0.336385 N\n0.732353 0.756570 0.411169 N\n0.267647 0.243430 0.911170 N\n0.767647 0.256570 0.911170 N\n0.232353 0.743430 0.411169 N\n",
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"formula_full": "Si4 Pb4 N8",
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},
{
"id": "jvasp-39332",
"created_at": "2022-09-04T14:37:47.552676Z",
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"structure_string": "Pb2 N2\n1.0\n1.879615 -3.255588 -0.000000\n1.879615 3.255588 0.000000\n-0.000000 -0.000000 6.619487\nPb N\n2 2\ndirect\n0.666666 0.333332 0.630990 Pb\n0.333332 0.666666 0.130990 Pb\n0.666666 0.333332 0.994010 N\n0.333332 0.666666 0.494010 N\n",
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}