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{
"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",
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{
"id": "jvasp-105119",
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"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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{
"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",
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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
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{
"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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"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",
"energy_above_hull": 0.4444091216666664,
"spacegroup": 216
},
{
"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,
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"formula_full": "Ba1 Cd1 Ir2",
"formula_reduced": "BaCdIr2",
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"spacegroup": 123
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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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"Cd",
"N"
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"density": 5.65941942671283,
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"volume": 121.78879968650104,
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"formula_full": "Ba2 Cd1 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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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",
"nsites": 5,
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"elements": [
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"density": 6.350011832055551,
"density_atomic": 0.06421903868847517,
"volume": 77.85853077394798,
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"formula_full": "Ba1 Cd1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-115552",
"created_at": "2022-09-04T14:38:46.783649Z",
"updated_at": "2022-09-04T14:38:46.783674Z",
"structure_string": "Ba1 Cd1 O1\n1.0\n4.461126 -0.000000 0.000000\n-0.000000 4.461126 0.000000\n-0.000000 -0.000000 7.815459\nBa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.426140 Ba\n0.000000 0.000000 -0.028174 Cd\n0.000000 0.000000 0.704918 O\n",
"nsites": 3,
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"elements": [
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"formula_full": "Ba1 Cd1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
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{
"id": "jvasp-115551",
"created_at": "2022-09-04T14:38:47.495732Z",
"updated_at": "2022-09-04T14:38:47.495754Z",
"structure_string": "Ba1 Cd1 O1\n1.0\n5.148634 -0.000000 -0.000000\n-2.574317 4.458848 0.000000\n-0.000000 -0.000000 4.561605\nBa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666666 0.000000 Cd\n0.666665 0.333333 0.000000 O\n",
"nsites": 3,
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"density": 4.213756301067321,
"density_atomic": 0.028647642652634173,
"volume": 104.7206583933058,
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"formula_full": "Ba1 Cd1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"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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{
"id": "jvasp-66429",
"created_at": "2022-09-04T14:36:02.360564Z",
"updated_at": "2022-09-04T14:36:02.360596Z",
"structure_string": "Ba4 Cd1 Os1\n1.0\n-0.000000 4.767644 4.767644\n4.767644 -0.000000 4.767644\n4.767644 4.767644 0.000000\nBa Cd Os\n4 1 1\ndirect\n0.122019 0.625993 0.625993 Ba\n0.625993 0.625993 0.625993 Ba\n0.625993 0.122019 0.625993 Ba\n0.625993 0.625993 0.122019 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Os\n",
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"spacegroup": 216
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{
"id": "jvasp-2760",
"created_at": "2022-09-04T14:36:56.860225Z",
"updated_at": "2022-09-04T14:36:56.860254Z",
"structure_string": "Ba1 Cd2 P2\n1.0\n2.226951 -3.857192 0.000000\n2.226951 3.857192 0.000000\n0.000000 0.000000 7.594890\nBa Cd P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.632128 Cd\n0.666667 0.333333 0.367872 Cd\n0.333333 0.666667 0.264947 P\n0.666667 0.333333 0.735053 P\n",
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"formula_full": "Ba1 Cd2 P2",
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