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{
"id": "jvasp-82116",
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"updated_at": "2022-09-04T14:37:07.263520Z",
"structure_string": "Ba2 Hg1 Bi1\n1.0\n-6.445594 -4.989164 -11.868528\n-4.551258 -3.351525 -2.113690\n-2.822541 1.536761 -5.107707\nBa Hg Bi\n2 1 1\ndirect\n0.747857 0.004387 0.004388 Ba\n0.252144 -0.004389 -0.004387 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 -0.000001 0.000000 Bi\n",
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{
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{
"id": "jvasp-64337",
"created_at": "2022-09-04T14:36:01.840206Z",
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"structure_string": "Ba4 Hg1 Bi1\n1.0\n-0.000000 5.039231 5.039231\n5.039231 0.000000 5.039231\n5.039231 5.039231 -0.000000\nBa Hg Bi\n4 1 1\ndirect\n0.128598 0.623801 0.623801 Ba\n0.623801 0.623801 0.623801 Ba\n0.623801 0.128598 0.623801 Ba\n0.623801 0.623801 0.128598 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Bi-Hg",
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"density_atomic": 0.02344382407232932,
"volume": 255.93094289944713,
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"formula_full": "Ba4 Hg1 Bi1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-69277",
"created_at": "2022-09-04T14:36:21.569983Z",
"updated_at": "2022-09-04T14:36:21.570011Z",
"structure_string": "Ba2 Hg1 Br1\n1.0\n0.000000 4.167685 4.167685\n4.167685 0.000000 4.167685\n4.167685 4.167685 0.000000\nBa Hg Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Hg\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
"chemical_system": "Ba-Br-Hg",
"density": 6.367122721917093,
"density_atomic": 0.027627738391081184,
"volume": 144.78202824199624,
"volume_molar": 21.797443839789917,
"formula_full": "Ba2 Hg1 Br1",
"formula_reduced": "Ba2HgBr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-66580",
"created_at": "2022-09-04T14:35:58.705146Z",
"updated_at": "2022-09-04T14:35:58.705165Z",
"structure_string": "Ba1 Hg1 Br1\n1.0\n-0.000000 3.927508 3.927508\n3.927508 -0.000000 3.927508\n3.927508 3.927508 0.000000\nBa Hg Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density": 5.7260894882361635,
"density_atomic": 0.02475939475117184,
"volume": 121.16612825755817,
"volume_molar": 24.32264932370763,
"formula_full": "Ba1 Hg1 Br1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
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{
"id": "jvasp-66390",
"created_at": "2022-09-04T14:36:10.576195Z",
"updated_at": "2022-09-04T14:36:10.576221Z",
"structure_string": "Ba1 Hg1 Cl1\n1.0\n-0.000000 3.842682 3.842682\n3.842682 -0.000000 3.842682\n3.842682 3.842682 0.000000\nBa Hg Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"Cl"
],
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"volume": 113.48365996336086,
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"formula_full": "Ba1 Hg1 Cl1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
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{
"id": "jvasp-65672",
"created_at": "2022-09-04T14:35:44.559083Z",
"updated_at": "2022-09-04T14:35:44.559111Z",
"structure_string": "Ba2 Hg1 Cl1\n1.0\n0.000000 4.114289 4.114289\n4.114289 0.000000 4.114289\n4.114289 4.114289 0.000000\nBa Hg Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
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"density": 6.088327766667874,
"density_atomic": 0.028717432698105477,
"volume": 139.28821709274467,
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"formula_full": "Ba2 Hg1 Cl1",
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{
"id": "jvasp-64194",
"created_at": "2022-09-04T14:38:13.021285Z",
"updated_at": "2022-09-04T14:38:13.021298Z",
"structure_string": "Ba4 Hg1 Ge1\n1.0\n0.000000 4.959357 4.959357\n4.959357 0.000000 4.959357\n4.959357 4.959357 0.000000\nBa Hg Ge\n4 1 1\ndirect\n0.127811 0.624064 0.624064 Ba\n0.624064 0.624064 0.624064 Ba\n0.624064 0.127811 0.624064 Ba\n0.624064 0.624064 0.127811 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Ge\n",
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"Hg",
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"volume": 243.95297133091051,
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"formula_full": "Ba4 Hg1 Ge1",
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{
"id": "jvasp-66474",
"created_at": "2022-09-04T14:36:16.433008Z",
"updated_at": "2022-09-04T14:36:16.433029Z",
"structure_string": "Ba4 Hg1 Ir1\n1.0\n0.000000 4.765665 4.765665\n4.765665 0.000000 4.765665\n4.765665 4.765665 0.000000\nBa Hg Ir\n4 1 1\ndirect\n0.122256 0.625915 0.625915 Ba\n0.625915 0.625915 0.625915 Ba\n0.625915 0.122256 0.625915 Ba\n0.625915 0.625915 0.122256 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-66105",
"created_at": "2022-09-04T14:35:57.140008Z",
"updated_at": "2022-09-04T14:35:57.140032Z",
"structure_string": "Ba4 Hg1 Mo1\n1.0\n0.000000 4.959475 4.959475\n4.959475 0.000000 4.959475\n4.959475 4.959475 -0.000000\nBa Hg Mo\n4 1 1\ndirect\n0.125121 0.624960 0.624960 Ba\n0.624960 0.624960 0.624960 Ba\n0.624960 0.125121 0.624960 Ba\n0.624960 0.624960 0.125121 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
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{
"id": "jvasp-1456",
"created_at": "2022-09-04T14:36:34.707508Z",
"updated_at": "2022-09-04T14:36:34.707543Z",
"structure_string": "Ba1 Hg1 O2\n1.0\n3.966343 0.006134 5.737822\n1.794638 3.537116 5.737822\n0.009974 0.006134 6.975270\nBa Hg O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Hg\n0.898601 0.898601 0.898603 O\n0.101398 0.101398 0.101398 O\n",
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{
"id": "jvasp-66492",
"created_at": "2022-09-04T14:35:51.119348Z",
"updated_at": "2022-09-04T14:35:51.119374Z",
"structure_string": "Ba4 Hg1 Os1\n1.0\n0.000000 4.746516 4.746516\n4.746516 -0.000000 4.746516\n4.746516 4.746516 -0.000000\nBa Hg Os\n4 1 1\ndirect\n0.122454 0.625849 0.625849 Ba\n0.625849 0.625849 0.625849 Ba\n0.625849 0.122454 0.625849 Ba\n0.625849 0.625849 0.122454 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Os\n",
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}