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"id": "jvasp-81118",
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"structure_string": "Ba2 Ga1 Hg1\n1.0\n-17.219116 -0.000000 -9.941462\n-10.003705 -0.483360 -2.555998\n-8.846416 2.789948 -4.560482\nBa Ga Hg\n2 1 1\ndirect\n0.838703 0.000001 0.000000 Ba\n0.161296 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000001 0.000000 Hg\n",
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{
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"structure_string": "Ba4 Ga1 Hg1\n1.0\n-0.000000 5.011517 5.011517\n5.011517 -0.000000 5.011517\n5.011517 5.011517 -0.000000\nBa Ga Hg\n4 1 1\ndirect\n0.125884 0.624706 0.624706 Ba\n0.624706 0.624706 0.624706 Ba\n0.624706 0.125884 0.624706 Ba\n0.624706 0.624706 0.125884 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Hg\n",
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{
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"structure_string": "Ba4 Ga1 Ir1\n1.0\n-0.000000 4.760485 4.760485\n4.760485 0.000000 4.760485\n4.760485 4.760485 0.000000\nBa Ga Ir\n4 1 1\ndirect\n0.122818 0.625727 0.625727 Ba\n0.625727 0.625727 0.625727 Ba\n0.625727 0.122818 0.625727 Ba\n0.625727 0.625727 0.122818 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ir\n",
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"elements": [
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"formula_full": "Ba4 Ga1 Ir1",
"formula_reduced": "Ba4GaIr",
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"spacegroup": 216
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{
"id": "jvasp-66452",
"created_at": "2022-09-04T14:35:47.323961Z",
"updated_at": "2022-09-04T14:35:47.323993Z",
"structure_string": "Ba4 Ga1 Mo1\n1.0\n-0.000000 4.819653 4.819653\n4.819653 -0.000000 4.819653\n4.819653 4.819653 0.000000\nBa Ga Mo\n4 1 1\ndirect\n0.124155 0.625282 0.625282 Ba\n0.625282 0.625282 0.625282 Ba\n0.625282 0.124155 0.625282 Ba\n0.625282 0.625282 0.124155 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
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"elements": [
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"density": 5.30225016095649,
"density_atomic": 0.02679624501557177,
"volume": 223.91196962534468,
"volume_molar": 22.4738233155445,
"formula_full": "Ba4 Ga1 Mo1",
"formula_reduced": "Ba4GaMo",
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"spacegroup": 216
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{
"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",
"nsites": 9,
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"elements": [
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"density": 6.257809132141633,
"density_atomic": 0.06864414621095505,
"volume": 131.11096133880784,
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"formula_full": "Ba2 Ga2 O5",
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"formula_anonymous": "A2B2C5",
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"spacegroup": 123
},
{
"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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"volume": 231.17355213182188,
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"formula_full": "Ba4 Ga1 P1",
"formula_reduced": "Ba4GaP",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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",
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"elements": [
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"density_atomic": 0.027015239179373537,
"volume": 148.0645784196517,
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"formula_full": "Ba2 Ga1 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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",
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"elements": [
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"formula_full": "Ba4 Ga1 Pb1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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",
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"elements": [
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],
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"density": 5.9146784414329865,
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"volume": 348.8163868460989,
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"formula_full": "Ba5 Ga5 Pb1",
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"formula_anonymous": "AB5C5",
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"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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{
"id": "jvasp-64328",
"created_at": "2022-09-04T14:38:14.742936Z",
"updated_at": "2022-09-04T14:38:14.742961Z",
"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",
"nsites": 6,
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],
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"formula_full": "Ba4 Ga1 Pd1",
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{
"id": "jvasp-66286",
"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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