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{
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{
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"structure_string": "Be1 Si1 Hg1\n1.0\n-1.453149 1.453149 5.948443\n1.453149 -1.453149 5.948443\n1.453149 1.453149 -5.948443\nBe Si Hg\n1 1 1\ndirect\n0.016747 0.016747 0.000000 Be\n0.631071 0.631071 0.000000 Si\n0.352181 0.352181 0.000000 Hg\n",
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"volume": 50.2439286791069,
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"formula_full": "Be1 Si1 Hg1",
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{
"id": "jvasp-65189",
"created_at": "2022-09-04T14:35:47.002704Z",
"updated_at": "2022-09-04T14:35:47.002725Z",
"structure_string": "Be1 Si1 Cl4\n1.0\n-0.000000 4.125150 4.125150\n4.125150 0.000000 4.125150\n4.125150 4.125150 0.000000\nBe Si Cl\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Si\n0.123472 0.625510 0.625510 Cl\n0.625510 0.625510 0.625510 Cl\n0.625510 0.123472 0.625510 Cl\n0.625510 0.625510 0.123472 Cl\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.042736801862964205,
"volume": 140.3942208693817,
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"formula_full": "Be1 Si1 Cl4",
"formula_reduced": "BeSiCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-67789",
"created_at": "2022-09-04T14:36:03.015602Z",
"updated_at": "2022-09-04T14:36:03.015622Z",
"structure_string": "Be1 Si1 Cl1\n1.0\n-1.419434 1.419434 6.622542\n1.419434 -1.419434 6.622542\n1.419434 1.419434 -6.622542\nBe Si Cl\n1 1 1\ndirect\n0.987455 0.987455 0.000000 Be\n0.623387 0.623387 0.000000 Si\n0.389156 0.389156 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"volume": 53.37220188583435,
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"formula_full": "Be1 Si1 Cl1",
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"spacegroup": 107
},
{
"id": "jvasp-66970",
"created_at": "2022-09-04T14:35:55.801811Z",
"updated_at": "2022-09-04T14:35:55.801831Z",
"structure_string": "Be1 Si1 Cl1\n1.0\n1.503064 -2.603382 -0.000000\n1.503064 2.603382 0.000000\n0.000000 0.000000 6.746938\nBe Si Cl\n1 1 1\ndirect\n0.000000 0.000000 0.963852 Be\n0.666666 0.333332 0.253243 Si\n0.333332 0.666666 0.782905 Cl\n",
"nsites": 3,
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"elements": [
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"formula_full": "Be1 Si1 Cl1",
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"spacegroup": 156
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{
"id": "jvasp-67647",
"created_at": "2022-09-04T14:36:03.287211Z",
"updated_at": "2022-09-04T14:36:03.287243Z",
"structure_string": "Be1 Si1 Br1\n1.0\n-1.693553 1.693553 5.187348\n1.693553 -1.693553 5.187348\n1.693553 1.693553 -5.187348\nBe Si Br\n1 1 1\ndirect\n0.110516 0.110516 0.000000 Be\n0.564297 0.564297 0.000000 Si\n0.325188 0.325188 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"volume": 59.511782781004364,
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"formula_full": "Be1 Si1 Br1",
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{
"id": "jvasp-74892",
"created_at": "2022-09-04T14:35:48.738965Z",
"updated_at": "2022-09-04T14:35:48.738983Z",
"structure_string": "Be1 Si1 Bi2\n1.0\n5.037979 0.000000 -0.000000\n0.000000 5.037979 0.000000\n-0.000000 -0.000000 3.653948\nBe Si Bi\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n",
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"volume": 92.74170338174238,
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"formula_full": "Be1 Si1 Bi2",
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"spacegroup": 123
},
{
"id": "jvasp-36308",
"created_at": "2022-09-04T14:37:12.492076Z",
"updated_at": "2022-09-04T14:37:12.492091Z",
"structure_string": "Be2 Si2 As4\n1.0\n5.370612 0.000000 -0.000000\n0.000000 5.370612 -0.000000\n-2.685307 -2.685307 5.369180\nBe Si As\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.749999 0.500000 Si\n0.125000 0.604288 0.750000 As\n0.395711 0.375000 0.250000 As\n0.854288 0.874999 0.250000 As\n0.624999 0.145711 0.750000 As\n",
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"volume": 154.86579972883257,
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"formula_full": "Be2 Si2 As4",
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},
{
"id": "jvasp-71787",
"created_at": "2022-09-04T14:35:46.571285Z",
"updated_at": "2022-09-04T14:35:46.571312Z",
"structure_string": "Be1 Si2 W1\n1.0\n-1.799241 1.799241 4.004020\n1.799241 -1.799241 4.004020\n1.799241 1.799241 -4.004020\nBe Si W\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 W\n",
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{
"id": "jvasp-71987",
"created_at": "2022-09-04T14:36:09.117427Z",
"updated_at": "2022-09-04T14:36:09.117463Z",
"structure_string": "Be1 Si2 Sn1\n1.0\n-1.832137 1.832137 5.251300\n1.832137 -1.832137 5.251300\n1.832137 1.832137 -5.251300\nBe Si Sn\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.250000 0.750001 0.500001 Sn\n",
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{
"id": "jvasp-70963",
"created_at": "2022-09-04T14:35:56.180407Z",
"updated_at": "2022-09-04T14:35:56.180429Z",
"structure_string": "Be1 Si2 Sb1\n1.0\n3.357015 0.000000 0.000000\n0.000000 3.357015 0.000000\n-0.000000 0.000000 6.759560\nBe Si Sb\n1 2 1\ndirect\n0.000000 0.000000 0.453526 Be\n0.000000 0.000000 0.118119 Si\n0.499999 0.499999 0.262405 Si\n0.499999 0.499999 0.665950 Sb\n",
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