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{
"id": "jvasp-64919",
"created_at": "2022-09-04T14:36:06.617405Z",
"updated_at": "2022-09-04T14:36:06.617430Z",
"structure_string": "Be1 Mo1 Br4\n1.0\n-0.000000 4.397033 4.397033\n4.397033 -0.000000 4.397033\n4.397033 4.397033 -0.000000\nBe Mo Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Mo\n0.624998 0.125006 0.624998 Br\n0.125006 0.624998 0.624998 Br\n0.624998 0.624998 0.624998 Br\n0.624998 0.624998 0.125006 Br\n",
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{
"id": "jvasp-71455",
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"updated_at": "2022-09-04T14:36:11.834582Z",
"structure_string": "Mn1 Be2 Br1\n1.0\n3.056743 0.000000 0.000000\n0.000000 3.056743 0.000000\n0.000000 -0.000000 5.795746\nMn Be Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.672514 Be\n0.000000 0.000000 0.327487 Be\n0.500000 0.500000 0.000000 Br\n",
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"formula_full": "Mn1 Be2 Br1",
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{
"id": "jvasp-71365",
"created_at": "2022-09-04T14:35:56.254020Z",
"updated_at": "2022-09-04T14:35:56.254031Z",
"structure_string": "Mn1 Be1 Br1\n1.0\n1.652636 -2.862449 -0.000000\n1.652636 2.862449 0.000000\n0.000000 -0.000000 5.534335\nMn Be Br\n1 1 1\ndirect\n0.333334 0.666668 0.689863 Mn\n-0.000000 0.000000 0.962605 Be\n0.666668 0.333334 0.347533 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Be-Br-Mn",
"density": 4.562063426147147,
"density_atomic": 0.0572942249054667,
"volume": 52.361298280060275,
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"formula_full": "Mn1 Be1 Br1",
"formula_reduced": "MnBeBr",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-72918",
"created_at": "2022-09-04T14:35:57.562163Z",
"updated_at": "2022-09-04T14:35:57.562189Z",
"structure_string": "Mg1 Be2 Br1\n1.0\n3.562509 -0.000000 -0.000000\n0.000000 3.562509 -0.000000\n0.000000 0.000000 6.247494\nMg Be Br\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
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"elements": [
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"Be",
"Br"
],
"chemical_system": "Be-Br-Mg",
"density": 2.5598886429716687,
"density_atomic": 0.050447796702144984,
"volume": 79.2898850194963,
"volume_molar": 11.937371210790552,
"formula_full": "Mg1 Be2 Br1",
"formula_reduced": "MgBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.83833383875,
"spacegroup": 123
},
{
"id": "jvasp-74464",
"created_at": "2022-09-04T14:36:20.755058Z",
"updated_at": "2022-09-04T14:36:20.755072Z",
"structure_string": "Mg1 Be1 Br2\n1.0\n4.926720 -0.000000 0.000000\n0.000000 4.926720 -0.000000\n-0.000000 -0.000000 3.561439\nMg Be Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Br-Mg",
"density": 3.7097678386318895,
"density_atomic": 0.04627204777237738,
"volume": 86.44527728007415,
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"formula_full": "Mg1 Be1 Br2",
"formula_reduced": "MgBeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-68919",
"created_at": "2022-09-04T14:36:03.293432Z",
"updated_at": "2022-09-04T14:36:03.293465Z",
"structure_string": "Mg2 Be1 Br1\n1.0\n-1.965548 1.965548 5.612853\n1.965548 -1.965548 5.612853\n1.965548 1.965548 -5.612853\nMg Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Br\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.632834232457188,
"density_atomic": 0.04611572318959018,
"volume": 86.73831230088852,
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"formula_full": "Mg2 Be1 Br1",
"formula_reduced": "Mg2BeBr",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-64923",
"created_at": "2022-09-04T14:36:10.988506Z",
"updated_at": "2022-09-04T14:36:10.988522Z",
"structure_string": "Mg1 Be2 Br1\n1.0\n-1.864355 1.864355 5.057551\n1.864355 -1.864355 5.057551\n1.864355 1.864355 -5.057551\nMg Be Br\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Br-Mg",
"density": 2.88656522880894,
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"volume": 70.31653888787721,
"volume_molar": 10.586402373470262,
"formula_full": "Mg1 Be2 Br1",
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},
{
"id": "jvasp-71738",
"created_at": "2022-09-04T14:35:52.565272Z",
"updated_at": "2022-09-04T14:35:52.565293Z",
"structure_string": "Mg1 Be2 Br1\n1.0\n3.127604 0.000000 0.000000\n0.000000 3.127604 0.000000\n0.000000 -0.000000 7.197857\nMg Be Br\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Mg\n0.000000 0.000000 0.740394 Be\n0.000000 0.000000 0.259606 Be\n0.499999 0.499999 0.000000 Br\n",
"nsites": 4,
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"density_atomic": 0.05681110770902096,
"volume": 70.4087661956439,
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"formula_full": "Mg1 Be2 Br1",
"formula_reduced": "MgBe2Br",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-67727",
"created_at": "2022-09-04T14:35:57.918640Z",
"updated_at": "2022-09-04T14:35:57.918667Z",
"structure_string": "Li1 Be1 Br4\n1.0\n0.000000 4.525120 4.525120\n4.525120 0.000000 4.525120\n4.525120 4.525120 -0.000000\nLi Be Br\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.625454 0.123636 0.625454 Br\n0.123636 0.625454 0.625454 Br\n0.625454 0.625454 0.625454 Br\n0.625454 0.625454 0.123636 Br\n",
"nsites": 6,
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"elements": [
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"Br"
],
"chemical_system": "Be-Br-Li",
"density": 3.0068438096728602,
"density_atomic": 0.03237657861819187,
"volume": 185.3191490909635,
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"formula_full": "Li1 Be1 Br4",
"formula_reduced": "LiBeBr4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-69582",
"created_at": "2022-09-04T14:35:46.026202Z",
"updated_at": "2022-09-04T14:35:46.026230Z",
"structure_string": "Li1 Be2 Br1\n1.0\n-1.648934 1.648934 6.832760\n1.648934 -1.648934 6.832760\n1.648934 1.648934 -6.832760\nLi Be Br\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Li\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.749999 0.499999 Br\n",
"nsites": 4,
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],
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"volume": 74.31264232527928,
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"formula_full": "Li1 Be2 Br1",
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},
{
"id": "jvasp-67836",
"created_at": "2022-09-04T14:35:42.125312Z",
"updated_at": "2022-09-04T14:35:42.125343Z",
"structure_string": "Li1 Be1 Br1\n1.0\n-1.626401 1.626401 5.718185\n1.626401 -1.626401 5.718185\n1.626401 1.626401 -5.718185\nLi Be Br\n1 1 1\ndirect\n0.626481 0.626481 0.000000 Li\n0.992574 0.992574 0.000000 Be\n0.380948 0.380948 0.000000 Br\n",
"nsites": 3,
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},
{
"id": "jvasp-74763",
"created_at": "2022-09-04T14:36:04.935811Z",
"updated_at": "2022-09-04T14:36:04.935831Z",
"structure_string": "K1 Be1 Br2\n1.0\n-2.656102 2.656102 3.755740\n2.656102 -2.656102 3.755740\n2.656102 2.656102 -3.755740\nK Be Br\n1 1 2\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n",
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"formula_full": "K1 Be1 Br2",
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}