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{
"id": "jvasp-15268",
"created_at": "2022-09-04T14:35:51.601446Z",
"updated_at": "2022-09-04T14:35:51.601466Z",
"structure_string": "Sr1 P2 Ru2\n1.0\n3.847792 0.000000 -1.310338\n-0.446226 3.821831 -1.310338\n0.001618 0.001818 6.309420\nSr P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.647532 0.647533 0.295065 P\n0.352467 0.352467 0.704935 P\n0.750000 0.250000 0.500000 Ru\n0.249999 0.750000 0.500000 Ru\n",
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"density": 6.2932133358028555,
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"volume": 92.80220651293878,
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{
"id": "jvasp-116402",
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"structure_string": "Sr1 Pb1 O1\n1.0\n3.681785 1.514466 0.000000\n1.295091 7.155024 0.000000\n0.000000 0.000000 3.749611\nSr Pb O\n1 1 1\ndirect\n0.006484 -0.116536 0.000000 Sr\n-0.029179 0.420378 0.000000 Pb\n0.327539 0.065013 0.000000 O\n",
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"volume": 91.42259826315319,
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"formula_full": "Sr1 Pb1 O1",
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{
"id": "jvasp-116400",
"created_at": "2022-09-04T14:38:48.117062Z",
"updated_at": "2022-09-04T14:38:48.117079Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.789750 -0.000000 0.000000\n0.000000 3.789750 0.000000\n0.000000 0.000000 7.543884\nSr Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.011593 Sr\n0.000000 0.000000 0.567509 Pb\n0.000000 0.000000 0.294684 O\n",
"nsites": 3,
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"elements": [
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"O"
],
"chemical_system": "O-Pb-Sr",
"density": 4.763663657808955,
"density_atomic": 0.027688863459490405,
"volume": 108.34680897571276,
"volume_molar": 21.749324484952457,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-116399",
"created_at": "2022-09-04T14:38:48.091284Z",
"updated_at": "2022-09-04T14:38:48.091304Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n5.090237 0.000000 0.000000\n-2.545119 4.408275 -0.000000\n-0.000000 0.000000 3.681930\nSr Pb O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666666 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.247050332918617,
"density_atomic": 0.036311069823159355,
"volume": 82.61943298863056,
"volume_molar": 16.58486183229736,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.626212071111111,
"spacegroup": 187
},
{
"id": "jvasp-116403",
"created_at": "2022-09-04T14:38:49.240778Z",
"updated_at": "2022-09-04T14:38:49.240813Z",
"structure_string": "Sr1 Pb1 O3\n1.0\n4.272256 -0.000000 -0.000000\n-0.000000 4.272256 -0.000000\n0.000000 0.000000 4.272256\nSr Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Pb",
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"chemical_system": "O-Pb-Sr",
"density": 7.300307650685901,
"density_atomic": 0.06412069178201193,
"volume": 77.97794847563813,
"volume_molar": 9.391883637926405,
"formula_full": "Sr1 Pb1 O3",
"formula_reduced": "SrPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1542466426666662,
"spacegroup": 221
},
{
"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,
"nelements": 3,
"elements": [
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"Pb",
"N"
],
"chemical_system": "N-Pb-Sr",
"density": 8.394506940851882,
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"volume": 104.84727375941712,
"volume_molar": 12.628100817629287,
"formula_full": "Sr1 Pb2 N2",
"formula_reduced": "Sr(PbN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.12470689,
"spacegroup": 164
},
{
"id": "jvasp-17986",
"created_at": "2022-09-04T14:38:14.142161Z",
"updated_at": "2022-09-04T14:38:14.142183Z",
"structure_string": "Sr1 Pb3\n1.0\n5.011463 0.000000 0.000000\n0.000000 5.011463 0.000000\n0.000000 0.000000 5.012549\nSr Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-Sr",
"density": 9.354969675020369,
"density_atomic": 0.03177403017849072,
"volume": 125.88897214265823,
"volume_molar": 18.95302775937017,
"formula_full": "Sr1 Pb3",
"formula_reduced": "SrPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.15074041,
"spacegroup": 221
},
{
"id": "jvasp-101111",
"created_at": "2022-09-04T14:36:37.601899Z",
"updated_at": "2022-09-04T14:36:37.601928Z",
"structure_string": "Sr1 Pb3 S4\n1.0\n4.209426 0.006130 13.442073\n2.060603 3.670589 13.442073\n0.010453 0.006130 14.085755\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249706 0.249706 0.249706 Pb\n0.499999 0.500000 0.500000 Pb\n0.750293 0.750294 0.750294 Pb\n0.125165 0.125165 0.125165 S\n0.374486 0.374487 0.374487 S\n0.625513 0.625513 0.625513 S\n0.874834 0.874835 0.874835 S\n",
"nsites": 8,
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"elements": [
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"S"
],
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"density": 6.4154049185443585,
"density_atomic": 0.03690545108202867,
"volume": 216.7701454784724,
"volume_molar": 16.31775410796298,
"formula_full": "Sr1 Pb3 S4",
"formula_reduced": "SrPb3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.99519859625,
"spacegroup": 166
},
{
"id": "jvasp-114372",
"created_at": "2022-09-04T14:38:41.044646Z",
"updated_at": "2022-09-04T14:38:41.044677Z",
"structure_string": "Sr1 Pd1 O1\n1.0\n3.745141 0.000000 0.000000\n0.000000 3.745141 0.000000\n0.000000 0.000000 6.549073\nSr Pd O\n1 1 1\ndirect\n0.000000 0.000000 0.622220 Sr\n0.000000 0.000000 0.011163 Pd\n0.000000 0.000000 0.307017 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "O-Pd-Sr",
"density": 3.7969396040688794,
"density_atomic": 0.032659165034022226,
"volume": 91.85782909253167,
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"formula_full": "Sr1 Pd1 O1",
"formula_reduced": "SrPdO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-102562",
"created_at": "2022-09-04T14:36:46.879603Z",
"updated_at": "2022-09-04T14:36:46.879618Z",
"structure_string": "Sr1 Pd1 O3\n1.0\n4.006052 -0.000000 0.000000\n0.000000 4.006052 0.000000\n-0.000000 -0.000000 4.006052\nSr Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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],
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"density": 6.251486030965892,
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"volume": 64.29093574211282,
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"formula_full": "Sr1 Pd1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-19645",
"created_at": "2022-09-04T14:38:31.736330Z",
"updated_at": "2022-09-04T14:38:31.736362Z",
"structure_string": "Sr1 Pd5\n1.0\n2.720673 -4.712344 0.000000\n2.720673 4.712344 0.000000\n0.000000 0.000000 4.426860\nSr Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333333 0.000000 Pd\n0.499999 0.499999 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.333333 0.666666 0.000000 Pd\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.065786630035399,
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"volume": 113.51130490364673,
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"formula_full": "Sr1 Pd5",
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"formula_anonymous": "AB5",
"energy_above_hull": 1.3671091350000002,
"spacegroup": 191
},
{
"id": "jvasp-104618",
"created_at": "2022-09-04T14:36:43.795042Z",
"updated_at": "2022-09-04T14:36:43.795074Z",
"structure_string": "Sr1 Pm1 Pt2\n1.0\n4.419855 -0.000000 2.551804\n1.473285 4.167079 2.551804\n-0.000000 -0.000000 5.103609\nSr Pm Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500000 0.500000 Pm\n0.249999 0.250000 0.250000 Pt\n0.749998 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.002013737936606,
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"formula_full": "Sr1 Pm1 Pt2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}