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{
"id": "jvasp-18816",
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"updated_at": "2022-09-04T14:37:16.895262Z",
"structure_string": "Ba2 Zn2 Si2\n1.0\n2.196672 -3.804747 -0.000000\n2.196672 3.804747 0.000000\n-0.000000 -0.000000 9.801619\nBa Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666667 0.250000 Zn\n0.666667 0.333332 0.750000 Zn\n0.666667 0.333332 0.250000 Si\n0.333332 0.666667 0.750000 Si\n",
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{
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{
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"structure_string": "Ba3 Sm1\n1.0\n5.311271 -0.023861 -4.671453\n-1.101628 5.195824 -4.671453\n0.019421 0.023861 7.073309\nBa Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.249999 0.749999 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
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{
"id": "jvasp-109502",
"created_at": "2022-09-04T14:38:27.217552Z",
"updated_at": "2022-09-04T14:38:27.217584Z",
"structure_string": "Ba3 Sm1\n1.0\n5.829534 -0.000000 0.000000\n0.000000 5.829534 0.000000\n-0.000000 -0.000000 5.829534\nBa Sm\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
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"volume": 198.10777431575724,
"volume_molar": 29.825822564495066,
"formula_full": "Ba3 Sm1",
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"spacegroup": 221
},
{
"id": "jvasp-122827",
"created_at": "2022-09-04T14:38:54.244489Z",
"updated_at": "2022-09-04T14:38:54.244515Z",
"structure_string": "Ba1 Sm3\n1.0\n1.860488 -3.222459 0.000000\n1.860488 3.222459 0.000000\n0.000000 -0.000000 12.233733\nBa Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.269388 Sm\n0.666668 0.333334 0.730612 Sm\n",
"nsites": 4,
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"elements": [
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"volume": 146.69093175328007,
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"spacegroup": 164
},
{
"id": "jvasp-110751",
"created_at": "2022-09-04T14:38:38.057004Z",
"updated_at": "2022-09-04T14:38:38.057024Z",
"structure_string": "Ba6 Sm2\n1.0\n8.317359 0.000000 0.000000\n-4.158680 7.203044 0.000000\n-0.000000 -0.000000 6.639294\nBa Sm\n6 2\ndirect\n0.828361 0.171639 0.750000 Ba\n0.343278 0.171639 0.750000 Ba\n0.828361 0.656722 0.750000 Ba\n0.171639 0.828361 0.250000 Ba\n0.656722 0.828361 0.250000 Ba\n0.171639 0.343278 0.250000 Ba\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666666 0.750000 Sm\n",
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"volume": 397.7621141890798,
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"spacegroup": 194
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{
"id": "jvasp-54946",
"created_at": "2022-09-04T14:38:33.746612Z",
"updated_at": "2022-09-04T14:38:33.746638Z",
"structure_string": "Ba1 Sn5\n1.0\n2.730540 -4.729433 0.000000\n2.730540 4.729433 -0.000000\n0.000000 0.000000 7.173501\nBa Sn\n1 5\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.790131 Sn\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.209869 Sn\n0.333333 0.666667 0.209869 Sn\n0.333333 0.666667 0.790131 Sn\n",
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"spacegroup": 191
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{
"id": "jvasp-19873",
"created_at": "2022-09-04T14:35:47.584073Z",
"updated_at": "2022-09-04T14:35:47.584103Z",
"structure_string": "Ba2 Sn2\n1.0\n4.705200 0.000000 0.000000\n0.000000 4.908254 -2.087532\n0.000000 0.020312 6.861727\nBa Sn\n2 2\ndirect\n0.250000 0.864317 0.728638 Ba\n0.750000 0.135682 0.271363 Ba\n0.250000 0.574414 0.148830 Sn\n0.750000 0.425584 0.851170 Sn\n",
"nsites": 4,
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"volume": 158.66640624472956,
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"spacegroup": 63
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{
"id": "jvasp-56823",
"created_at": "2022-09-04T14:36:43.342360Z",
"updated_at": "2022-09-04T14:36:43.342381Z",
"structure_string": "Ba1 Sn2\n1.0\n2.379145 -4.120800 0.000000\n2.379145 4.120800 0.000000\n-0.000000 -0.000000 5.520920\nBa Sn\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333332 0.106479 Sn\n0.333332 0.666666 0.893521 Sn\n",
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"volume": 108.25398642915745,
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{
"id": "jvasp-23148",
"created_at": "2022-09-04T14:37:41.605584Z",
"updated_at": "2022-09-04T14:37:41.605609Z",
"structure_string": "Ba6 Sn10\n1.0\n7.167747 0.002738 -0.000000\n-1.423495 7.024975 0.000000\n-0.000000 -0.000000 11.229393\nBa Sn\n6 10\ndirect\n0.706351 0.293649 0.500000 Ba\n0.293648 0.706351 0.000000 Ba\n0.293648 0.706351 0.500000 Ba\n0.706351 0.293649 0.000000 Ba\n0.853696 0.853696 0.750000 Ba\n0.146304 0.146304 0.250000 Ba\n0.804785 0.804785 0.440315 Sn\n0.195215 0.195215 0.940315 Sn\n0.804785 0.804785 0.059684 Sn\n0.195215 0.195215 0.559684 Sn\n0.020150 0.407677 0.750000 Sn\n0.979850 0.592323 0.250000 Sn\n0.547251 0.547251 0.250000 Sn\n0.452749 0.452748 0.750000 Sn\n0.592323 0.979850 0.250000 Sn\n0.407677 0.020150 0.750000 Sn\n",
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"spacegroup": 63
},
{
"id": "jvasp-20267",
"created_at": "2022-09-04T14:37:46.540674Z",
"updated_at": "2022-09-04T14:37:46.540684Z",
"structure_string": "Ba8 Sn4\n1.0\n5.664589 0.000000 0.000000\n0.000000 8.625424 0.000000\n0.000000 0.000000 10.658381\nBa Sn\n8 4\ndirect\n0.750000 0.842166 0.079491 Ba\n0.250000 0.157834 0.920509 Ba\n0.750000 0.342166 0.420509 Ba\n0.250000 0.657833 0.579491 Ba\n0.750000 0.979144 0.681735 Ba\n0.250000 0.020855 0.318265 Ba\n0.750000 0.479145 0.818265 Ba\n0.250000 0.520855 0.181735 Ba\n0.750000 0.753703 0.397453 Sn\n0.250000 0.246297 0.602547 Sn\n0.750000 0.253703 0.102547 Sn\n0.250000 0.746296 0.897453 Sn\n",
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"volume": 520.7629736672324,
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"formula_full": "Ba8 Sn4",
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{
"id": "jvasp-14916",
"created_at": "2022-09-04T14:35:41.196078Z",
"updated_at": "2022-09-04T14:35:41.196100Z",
"structure_string": "Ba2 Sn6\n1.0\n3.661275 -6.341513 0.000000\n3.661275 6.341513 -0.000000\n0.000000 0.000000 5.601190\nBa Sn\n2 6\ndirect\n0.333332 0.666666 0.750000 Ba\n0.666666 0.333332 0.250000 Ba\n0.859115 0.718231 0.750000 Sn\n0.718231 0.859115 0.250000 Sn\n0.140884 0.859115 0.250000 Sn\n0.859115 0.140884 0.750000 Sn\n0.281768 0.140884 0.750000 Sn\n0.140884 0.281768 0.250000 Sn\n",
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}