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{
"id": "jvasp-14916",
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"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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{
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"created_at": "2022-09-04T14:38:27.217552Z",
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"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",
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{
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"created_at": "2022-09-04T14:36:04.603397Z",
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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",
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{
"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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],
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"density": 6.660758091060789,
"density_atomic": 0.027268215916220456,
"volume": 146.69093175328007,
"volume_molar": 22.084835980845153,
"formula_full": "Ba1 Sm3",
"formula_reduced": "BaSm3",
"formula_anonymous": "AB3",
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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",
"nsites": 8,
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"elements": [
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"chemical_system": "Ba-Sm",
"density": 4.695214380357127,
"density_atomic": 0.020112523829248174,
"volume": 397.7621141890798,
"volume_molar": 29.9422430080229,
"formula_full": "Ba6 Sm2",
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"spacegroup": 194
},
{
"id": "jvasp-58358",
"created_at": "2022-09-04T14:37:45.756650Z",
"updated_at": "2022-09-04T14:37:45.756667Z",
"structure_string": "Ba4 Si8\n1.0\n6.791856 0.000000 0.000000\n0.000000 6.791856 0.000000\n-0.000000 0.000000 6.791856\nBa Si\n4 8\ndirect\n0.625000 0.375000 0.875001 Ba\n0.375000 0.875001 0.625000 Ba\n0.875001 0.625000 0.375000 Ba\n0.125000 0.125000 0.125000 Ba\n0.831231 0.831231 0.831231 Si\n0.581231 0.918770 0.081231 Si\n0.918770 0.081231 0.581231 Si\n0.081231 0.581231 0.918770 Si\n0.418770 0.418770 0.418770 Si\n0.168769 0.331231 0.668770 Si\n0.668770 0.168769 0.331231 Si\n0.331231 0.668770 0.168769 Si\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ba-Si",
"density": 4.10223145951741,
"density_atomic": 0.03830150485460005,
"volume": 313.3036168044658,
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"formula_full": "Ba4 Si8",
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"formula_anonymous": "AB2",
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"spacegroup": 212
},
{
"id": "jvasp-14905",
"created_at": "2022-09-04T14:36:53.522730Z",
"updated_at": "2022-09-04T14:36:53.522740Z",
"structure_string": "Ba1 Si2\n1.0\n2.106769 -3.649031 -0.000000\n2.106769 3.649031 -0.000000\n-0.000000 0.000000 5.050501\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
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"elements": [
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"spacegroup": 191
},
{
"id": "jvasp-36412",
"created_at": "2022-09-04T14:37:19.812939Z",
"updated_at": "2022-09-04T14:37:19.812957Z",
"structure_string": "Ba1 Si2\n1.0\n4.813375 0.000000 -0.000000\n-0.000000 4.813375 0.000000\n-2.406688 -2.406688 4.430977\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.623608 0.623608 0.247214 Si\n0.376393 0.376393 0.752787 Si\n",
"nsites": 3,
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"elements": [
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"density": 3.1298727883528303,
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"volume": 102.65944018704488,
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"formula_full": "Ba1 Si2",
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"spacegroup": 139
},
{
"id": "jvasp-79630",
"created_at": "2022-09-04T14:37:15.116193Z",
"updated_at": "2022-09-04T14:37:15.116208Z",
"structure_string": "Ba2 Si2\n1.0\n-0.004972 0.007982 4.150383\n5.057073 -0.014337 0.005997\n-2.511268 6.056122 -0.014683\nBa Si\n2 2\ndirect\n0.750047 0.641415 0.282849 Ba\n0.249953 0.358584 0.717150 Ba\n0.749984 0.941001 0.881978 Si\n0.250017 0.058998 0.118022 Si\n",
"nsites": 4,
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"formula_reduced": "BaSi",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-14579",
"created_at": "2022-09-04T14:35:45.688032Z",
"updated_at": "2022-09-04T14:35:45.688065Z",
"structure_string": "Ba2 Si2\n1.0\n4.150396 0.000000 -0.000000\n0.000000 4.659789 -1.964072\n-0.000000 0.019184 6.555256\nBa Si\n2 2\ndirect\n0.250000 0.858524 0.717049 Ba\n0.750001 0.141476 0.282952 Ba\n0.250000 0.559014 0.118029 Si\n0.750001 0.440985 0.881972 Si\n",
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},
{
"id": "jvasp-14254",
"created_at": "2022-09-04T14:37:39.549679Z",
"updated_at": "2022-09-04T14:37:39.549699Z",
"structure_string": "Ba1 Si2\n1.0\n2.106769 -3.649031 0.000000\n2.106769 3.649031 -0.000000\n0.000000 0.000000 5.050501\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
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{
"id": "jvasp-14901",
"created_at": "2022-09-04T14:36:47.417918Z",
"updated_at": "2022-09-04T14:36:47.417928Z",
"structure_string": "Ba1 Si2\n1.0\n2.049029 -3.549022 -0.000000\n2.049029 3.549022 0.000000\n0.000000 -0.000000 5.376213\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.566689 Si\n0.333333 0.666667 0.433310 Si\n",
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