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{
"id": "jvasp-65778",
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"updated_at": "2022-09-04T14:36:12.572054Z",
"structure_string": "Ba1 Cd2 Cl1\n1.0\n4.227671 0.000000 -0.000000\n0.000000 4.227671 0.000000\n-0.000000 0.000000 7.177690\nBa Cd Cl\n1 2 1\ndirect\n0.500000 0.500000 0.689299 Ba\n0.000000 0.000000 0.063924 Cd\n0.500000 0.500000 0.179135 Cd\n0.000000 0.000000 0.567642 Cl\n",
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{
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"structure_string": "Ba2 Cd1 Cl1\n1.0\n-0.000000 4.161943 4.161943\n4.161943 0.000000 4.161943\n4.161943 4.161943 -0.000000\nBa Cd Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cl\n",
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{
"id": "jvasp-120853",
"created_at": "2022-09-04T14:38:50.726004Z",
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"structure_string": "Ba1 Cd1 Cl1\n1.0\n4.076069 0.000000 0.000000\n-0.000000 4.076069 -0.000000\n0.000000 -0.000000 9.076814\nBa Cd Cl\n1 1 1\ndirect\n0.000000 0.000000 0.281350 Ba\n0.000000 0.000000 0.672236 Cd\n0.000000 0.000000 -0.029107 Cl\n",
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"volume": 150.805260231832,
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{
"id": "jvasp-64759",
"created_at": "2022-09-04T14:36:07.536239Z",
"updated_at": "2022-09-04T14:36:07.536266Z",
"structure_string": "Ba4 Cd1 Co1\n1.0\n0.000000 4.919715 4.919715\n4.919715 0.000000 4.919715\n4.919715 4.919715 -0.000000\nBa Cd Co\n4 1 1\ndirect\n0.123210 0.625597 0.625597 Ba\n0.625597 0.625597 0.625597 Ba\n0.625597 0.123210 0.625597 Ba\n0.625597 0.625597 0.123210 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Co\n",
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"elements": [
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"density": 5.024871745834358,
"density_atomic": 0.025194249188252724,
"volume": 238.1495854537157,
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"formula_full": "Ba4 Cd1 Co1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64870",
"created_at": "2022-09-04T14:38:13.048089Z",
"updated_at": "2022-09-04T14:38:13.048118Z",
"structure_string": "Ba4 Cd1 Cu1\n1.0\n-0.000000 5.144214 5.144214\n5.144214 -0.000000 5.144214\n5.144214 5.144214 0.000000\nBa Cd Cu\n4 1 1\ndirect\n0.125111 0.624963 0.624963 Ba\n0.624963 0.624963 0.624963 Ba\n0.624963 0.125111 0.624963 Ba\n0.624963 0.624963 0.125111 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 6,
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"volume": 272.2620289664913,
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"formula_full": "Ba4 Cd1 Cu1",
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{
"id": "jvasp-66668",
"created_at": "2022-09-04T14:36:22.218732Z",
"updated_at": "2022-09-04T14:36:22.218762Z",
"structure_string": "Ba4 Cd1 Fe1\n1.0\n0.000000 4.938521 4.938521\n4.938521 -0.000000 4.938521\n4.938521 4.938521 0.000000\nBa Cd Fe\n4 1 1\ndirect\n0.123539 0.625487 0.625487 Ba\n0.625487 0.625487 0.625487 Ba\n0.625487 0.123539 0.625487 Ba\n0.625487 0.625487 0.123539 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Fe\n",
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"volume": 240.89107528288076,
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"formula_full": "Ba4 Cd1 Fe1",
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{
"id": "jvasp-100036",
"created_at": "2022-09-04T14:36:37.526932Z",
"updated_at": "2022-09-04T14:36:37.526959Z",
"structure_string": "Ba1 Cd3 Ga1\n1.0\n4.551755 0.084831 -5.039247\n-0.611787 4.511253 -5.039247\n-0.072721 -0.084831 6.790229\nBa Cd Ga\n1 3 1\ndirect\n0.003467 0.003467 -0.000000 Ba\n0.743990 0.243989 0.500000 Cd\n0.243989 0.743989 0.499999 Cd\n0.388327 0.388326 -0.000000 Cd\n0.620227 0.620227 -0.000001 Ga\n",
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"spacegroup": 107
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{
"id": "jvasp-16663",
"created_at": "2022-09-04T14:38:17.900335Z",
"updated_at": "2022-09-04T14:38:17.900358Z",
"structure_string": "Ba2 Cd2 Ge2\n1.0\n2.369888 -4.104766 -0.000000\n2.369888 4.104766 -0.000000\n-0.000000 0.000000 9.537622\nBa Cd Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.750000 Cd\n0.666668 0.333333 0.250000 Cd\n0.666668 0.333333 0.750000 Ge\n0.333333 0.666668 0.250000 Ge\n",
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{
"id": "jvasp-64249",
"created_at": "2022-09-04T14:38:08.712475Z",
"updated_at": "2022-09-04T14:38:08.712503Z",
"structure_string": "Ba4 Cd1 Ge1\n1.0\n-0.000000 4.983217 4.983217\n4.983217 0.000000 4.983217\n4.983217 4.983217 -0.000000\nBa Cd Ge\n4 1 1\ndirect\n0.121925 0.626025 0.626025 Ba\n0.626025 0.626025 0.626025 Ba\n0.626025 0.121925 0.626025 Ba\n0.626025 0.626025 0.121925 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-92673",
"created_at": "2022-09-04T14:36:08.133966Z",
"updated_at": "2022-09-04T14:36:08.133993Z",
"structure_string": "Ba1 Cd2 Ge2\n1.0\n4.731910 0.000000 0.000000\n0.000000 4.731910 0.000000\n-2.365955 -2.365955 5.769909\nBa Cd Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.500000 Cd\n0.749999 0.250000 0.500000 Cd\n0.612252 0.612252 0.224505 Ge\n0.387747 0.387747 0.775495 Ge\n",
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{
"id": "jvasp-66180",
"created_at": "2022-09-04T14:36:11.866845Z",
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"structure_string": "Ba1 Cd1 Hg1\n1.0\n0.000000 3.934201 3.934201\n3.934201 0.000000 3.934201\n3.934201 3.934201 0.000000\nBa Cd Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-107894",
"created_at": "2022-09-04T14:36:02.230992Z",
"updated_at": "2022-09-04T14:36:02.231027Z",
"structure_string": "Ba2 Cd1 Hg1\n1.0\n5.136490 -0.000000 2.965554\n1.712163 4.842730 2.965554\n-0.000000 -0.000000 5.931108\nBa Cd Hg\n2 1 1\ndirect\n0.749999 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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}