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{
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{
"id": "jvasp-65616",
"created_at": "2022-09-04T14:36:20.545107Z",
"updated_at": "2022-09-04T14:36:20.545134Z",
"structure_string": "Ba1 Ga1 Pt2\n1.0\n4.608025 0.000000 0.000000\n0.000000 4.608025 0.000000\n-0.000000 0.000000 4.230627\nBa Ga Pt\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.000000 0.500000 Ga\n0.500001 0.000000 0.000000 Pt\n0.000000 0.500001 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:35:44.603800Z",
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"structure_string": "Ba4 Ga1 Pt1\n1.0\n0.000000 4.810199 4.810199\n4.810199 0.000000 4.810199\n4.810199 4.810199 -0.000000\nBa Ga Pt\n4 1 1\ndirect\n0.123253 0.625583 0.625583 Ba\n0.625583 0.625583 0.625583 Ba\n0.625583 0.123253 0.625583 Ba\n0.625583 0.625583 0.123253 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-64328",
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"structure_string": "Ba4 Ga1 Pd1\n1.0\n-0.000000 4.877887 4.877887\n4.877887 0.000000 4.877887\n4.877887 4.877887 -0.000000\nBa Ga Pd\n4 1 1\ndirect\n0.124575 0.625142 0.625142 Ba\n0.625142 0.625142 0.625142 Ba\n0.625142 0.124575 0.625142 Ba\n0.625142 0.625142 0.124575 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n",
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"elements": [
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"formula_full": "Ba4 Ga1 Pd1",
"formula_reduced": "Ba4GaPd",
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{
"id": "jvasp-65592",
"created_at": "2022-09-04T14:36:15.076474Z",
"updated_at": "2022-09-04T14:36:15.076493Z",
"structure_string": "Ba2 Ga1 Pb1\n1.0\n-0.000000 4.198947 4.198947\n4.198947 0.000000 4.198947\n4.198947 4.198947 -0.000000\nBa Ga Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.185916756822807,
"density_atomic": 0.027015239179373537,
"volume": 148.0645784196517,
"volume_molar": 22.29164332033002,
"formula_full": "Ba2 Ga1 Pb1",
"formula_reduced": "Ba2GaPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98575",
"created_at": "2022-09-04T14:36:08.959368Z",
"updated_at": "2022-09-04T14:36:08.959405Z",
"structure_string": "Ba5 Ga5 Pb1\n1.0\n6.076206 0.000020 -0.000000\n-3.038085 5.263816 -0.000001\n-0.000001 -0.000001 10.905934\nBa Ga Pb\n5 5 1\ndirect\n0.999958 0.999908 0.331723 Ba\n0.666615 0.333244 0.203992 Ba\n0.666615 0.333243 0.796008 Ba\n0.999959 -0.000093 0.668277 Ba\n0.333374 0.666729 0.000000 Ba\n0.333373 0.666769 0.674873 Ga\n0.515736 0.484089 0.500000 Ga\n0.515919 0.031786 0.500000 Ga\n0.333373 0.666770 0.325126 Ga\n0.968343 0.484088 0.500000 Ga\n0.000071 0.000139 0.999999 Pb\n",
"nsites": 11,
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"elements": [
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"density": 5.9146784414329865,
"density_atomic": 0.03153521570319259,
"volume": 348.8163868460989,
"volume_molar": 19.096558008925637,
"formula_full": "Ba5 Ga5 Pb1",
"formula_reduced": "Ba5Ga5Pb",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-66596",
"created_at": "2022-09-04T14:36:16.068326Z",
"updated_at": "2022-09-04T14:36:16.068356Z",
"structure_string": "Ba1 Ga1 Pb1\n1.0\n0.000000 3.891826 3.891826\n3.891826 -0.000000 3.891826\n3.891826 3.891826 -0.000000\nBa Ga Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.500001 Pb\n",
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"volume": 117.89360312177861,
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"formula_full": "Ba1 Ga1 Pb1",
"formula_reduced": "BaGaPb",
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},
{
"id": "jvasp-64335",
"created_at": "2022-09-04T14:35:59.169601Z",
"updated_at": "2022-09-04T14:35:59.169641Z",
"structure_string": "Ba4 Ga1 Pb1\n1.0\n-0.000000 5.018679 5.018679\n5.018679 -0.000000 5.018679\n5.018679 5.018679 0.000000\nBa Ga Pb\n4 1 1\ndirect\n0.123651 0.625449 0.625449 Ba\n0.625449 0.625449 0.625449 Ba\n0.625449 0.123651 0.625449 Ba\n0.625449 0.625449 0.123651 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
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"elements": [
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],
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"volume": 252.81233018562446,
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"formula_full": "Ba4 Ga1 Pb1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64009",
"created_at": "2022-09-04T14:35:54.514177Z",
"updated_at": "2022-09-04T14:35:54.514197Z",
"structure_string": "Ba4 Ga1 P1\n1.0\n0.000000 4.871201 4.871201\n4.871201 0.000000 4.871201\n4.871201 4.871201 0.000000\nBa Ga P\n4 1 1\ndirect\n0.121613 0.626129 0.626129 Ba\n0.626129 0.626129 0.626129 Ba\n0.626129 0.121613 0.626129 Ba\n0.626129 0.626129 0.121613 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
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"elements": [
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"Ga",
"P"
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"volume": 231.17355213182188,
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"formula_full": "Ba4 Ga1 P1",
"formula_reduced": "Ba4GaP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3527319508333333,
"spacegroup": 216
},
{
"id": "jvasp-41962",
"created_at": "2022-09-04T14:38:31.299516Z",
"updated_at": "2022-09-04T14:38:31.299545Z",
"structure_string": "Ba2 Ga2 O5\n1.0\n3.986012 0.000000 -0.000000\n0.000000 3.986012 0.000000\n-0.000000 0.000000 8.252049\nBa Ga O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.270419 Ga\n0.500000 0.500000 0.729581 Ga\n0.500000 0.000000 0.230055 O\n0.500000 0.000000 0.769945 O\n0.000000 0.500000 0.230055 O\n0.000000 0.500000 0.769945 O\n0.500000 0.500000 0.500000 O\n",
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"volume": 131.11096133880784,
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"formula_full": "Ba2 Ga2 O5",
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"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.1414104544444443,
"spacegroup": 123
},
{
"id": "jvasp-49154",
"created_at": "2022-09-04T14:38:31.292972Z",
"updated_at": "2022-09-04T14:38:31.292999Z",
"structure_string": "Ba3 Nb1 Ga3 Si2 O14\n1.0\n4.302892 -7.452827 0.000000\n4.302892 7.452827 -0.000000\n0.000000 -0.000000 5.261464\nBa Nb Ga Si O\n3 1 3 2 14\ndirect\n0.568625 0.568625 0.000000 Ba\n-0.000000 0.431375 0.000000 Ba\n0.431375 -0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Nb\n0.256300 0.256300 0.500000 Ga\n-0.000000 0.743700 0.500000 Ga\n0.743700 -0.000000 0.500000 Ga\n0.666667 0.333333 0.520678 Si\n0.333333 0.666667 0.479321 Si\n0.474744 0.298964 0.648099 O\n0.666667 0.333333 0.214568 O\n0.333333 0.666667 0.785431 O\n0.175781 0.701036 0.351900 O\n0.525255 0.824219 0.351900 O\n0.298964 0.474744 0.351900 O\n0.111484 0.892686 0.773096 O\n0.892686 0.111484 0.226903 O\n0.888516 0.781202 0.226903 O\n0.701036 0.175781 0.648099 O\n0.781202 0.888516 0.773096 O\n0.107314 0.218798 0.773096 O\n0.218798 0.107314 0.226903 O\n0.824219 0.525255 0.648099 O\n",
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"formula_full": "Ba3 Nb1 Ga3 Si2 O14",
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{
"id": "jvasp-69201",
"created_at": "2022-09-04T14:36:20.103694Z",
"updated_at": "2022-09-04T14:36:20.103738Z",
"structure_string": "Ba2 Na1 Ga1\n1.0\n0.000000 4.229965 4.229965\n4.229965 -0.000000 4.229965\n4.229965 4.229965 0.000000\nBa Na Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "Ba2 Na1 Ga1",
"formula_reduced": "Ba2NaGa",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-65656",
"created_at": "2022-09-04T14:36:02.643803Z",
"updated_at": "2022-09-04T14:36:02.643823Z",
"structure_string": "Ba1 Na2 Ga1\n1.0\n4.202624 -0.000000 -0.000000\n-0.000000 4.202624 0.000000\n0.000000 0.000000 7.672023\nBa Na Ga\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ba\n0.000000 0.000000 0.687585 Na\n0.000000 0.000000 0.312415 Na\n0.499999 0.499999 0.500000 Ga\n",
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}
]
}