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{
"id": "jvasp-107431",
"created_at": "2022-09-04T14:36:57.855816Z",
"updated_at": "2022-09-04T14:36:57.855831Z",
"structure_string": "Ba1 Cd1 O3\n1.0\n4.270074 -0.000000 0.000000\n0.000000 4.270074 0.000000\n-0.000000 -0.000000 4.270074\nBa Cd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-10187",
"created_at": "2022-09-04T14:37:06.532611Z",
"updated_at": "2022-09-04T14:37:06.532631Z",
"structure_string": "Ba4 Cd4 O8\n1.0\n3.697014 0.000000 0.000000\n-0.000000 6.222203 0.000000\n0.000000 0.000000 12.109988\nBa Cd O\n4 4 8\ndirect\n0.250000 0.394806 0.642532 Ba\n0.749999 0.605194 0.357468 Ba\n0.250000 0.894806 0.857468 Ba\n0.749999 0.105194 0.142532 Ba\n0.749999 0.904388 0.606783 Cd\n0.749999 0.404389 0.893218 Cd\n0.250000 0.095611 0.393218 Cd\n0.250000 0.595611 0.106783 Cd\n0.250000 0.276855 0.982214 O\n0.749999 0.723144 0.017787 O\n0.250000 0.776855 0.517787 O\n0.749999 0.223144 0.482213 O\n0.250000 0.858918 0.251753 O\n0.749999 0.641082 0.751753 O\n0.250000 0.358918 0.248247 O\n0.749999 0.141082 0.748247 O\n",
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"formula_full": "Ba4 Cd4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 62
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{
"id": "jvasp-104780",
"created_at": "2022-09-04T14:36:30.811022Z",
"updated_at": "2022-09-04T14:36:30.811046Z",
"structure_string": "Ba2 Cd1 N2\n1.0\n4.020899 0.000000 -1.173744\n-0.342557 4.006289 -1.173499\n0.021261 0.022757 7.546910\nBa Cd N\n2 1 2\ndirect\n0.840042 0.840043 0.180084 Ba\n0.159957 0.159958 0.819917 Ba\n0.500000 0.500000 0.500000 Cd\n0.350559 0.350559 0.201118 N\n0.649440 0.649441 0.798882 N\n",
"nsites": 5,
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"elements": [
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"Cd",
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"chemical_system": "Ba-Cd-N",
"density": 5.65941942671283,
"density_atomic": 0.041054678368377055,
"volume": 121.78879968650104,
"volume_molar": 14.668585894071065,
"formula_full": "Ba2 Cd1 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-68975",
"created_at": "2022-09-04T14:36:04.862495Z",
"updated_at": "2022-09-04T14:36:04.862531Z",
"structure_string": "Ba1 Cd1 Ir2\n1.0\n4.471238 0.000000 0.000000\n0.000000 4.471238 0.000000\n0.000000 0.000000 4.285737\nBa Cd Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Cd-Ir",
"density": 12.290656154411138,
"density_atomic": 0.046685165172983066,
"volume": 85.68032232891873,
"volume_molar": 12.89947403567299,
"formula_full": "Ba1 Cd1 Ir2",
"formula_reduced": "BaCdIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-66111",
"created_at": "2022-09-04T14:36:05.006353Z",
"updated_at": "2022-09-04T14:36:05.006386Z",
"structure_string": "Ba4 Cd1 Ir1\n1.0\n0.000000 4.789353 4.789353\n4.789353 -0.000000 4.789353\n4.789353 4.789353 -0.000000\nBa Cd Ir\n4 1 1\ndirect\n0.121720 0.626093 0.626093 Ba\n0.626093 0.626093 0.626093 Ba\n0.626093 0.121720 0.626093 Ba\n0.626093 0.626093 0.121720 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Cd-Ir",
"density": 6.453775896577538,
"density_atomic": 0.027308051350065747,
"volume": 219.715421034081,
"volume_molar": 22.052619876831677,
"formula_full": "Ba4 Cd1 Ir1",
"formula_reduced": "Ba4CdIr",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66275",
"created_at": "2022-09-04T14:36:16.400808Z",
"updated_at": "2022-09-04T14:36:16.400836Z",
"structure_string": "Ba1 Cd1 In1\n1.0\n-0.000000 3.954457 3.954457\n3.954457 -0.000000 3.954457\n3.954457 3.954457 0.000000\nBa Cd In\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 In\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.894662820028099,
"density_atomic": 0.024256642451475904,
"volume": 123.67746302899658,
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"formula_full": "Ba1 Cd1 In1",
"formula_reduced": "BaCdIn",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-105119",
"created_at": "2022-09-04T14:36:43.772119Z",
"updated_at": "2022-09-04T14:36:43.772145Z",
"structure_string": "Ba2 Cd1 In1\n1.0\n5.185894 -0.000000 2.994077\n1.728631 4.889308 2.994077\n-0.000000 -0.000000 5.988155\nBa Cd In\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
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"elements": [
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"density": 5.48892779284213,
"density_atomic": 0.026344861891233265,
"volume": 151.83226302397406,
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"formula_full": "Ba2 Cd1 In1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-66180",
"created_at": "2022-09-04T14:36:11.866845Z",
"updated_at": "2022-09-04T14:36:11.866873Z",
"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",
"nsites": 3,
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"elements": [
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"Hg"
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"density": 6.140142062217925,
"density_atomic": 0.02463324496668079,
"volume": 121.78663444697743,
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"formula_full": "Ba1 Cd1 Hg1",
"formula_reduced": "BaCdHg",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-64144",
"created_at": "2022-09-04T14:35:57.270717Z",
"updated_at": "2022-09-04T14:35:57.270740Z",
"structure_string": "Ba4 Cd1 Hg1\n1.0\n-0.000000 5.075244 5.075244\n5.075244 0.000000 5.075244\n5.075244 5.075244 0.000000\nBa Cd Hg\n4 1 1\ndirect\n0.124623 0.625126 0.625126 Ba\n0.625126 0.625126 0.625126 Ba\n0.625126 0.124623 0.625126 Ba\n0.625126 0.625126 0.124623 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
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"elements": [
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"density": 5.476602765095463,
"density_atomic": 0.022948297709573424,
"volume": 261.4573017979002,
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"formula_full": "Ba4 Cd1 Hg1",
"formula_reduced": "Ba4CdHg",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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",
"nsites": 4,
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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",
"nsites": 5,
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"volume": 129.1938722930624,
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"formula_full": "Ba1 Cd2 Ge2",
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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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]
}