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{
"id": "jvasp-78264",
"created_at": "2022-09-04T14:37:14.506094Z",
"updated_at": "2022-09-04T14:37:14.506127Z",
"structure_string": "Mn1 B2\n1.0\n-1.491127 -2.582710 0.000000\n-1.491164 2.582731 0.000000\n0.000000 0.000000 -2.958727\nMn B\n1 2\ndirect\n0.999969 0.000001 0.000000 Mn\n0.333293 0.666656 0.500000 B\n0.666638 0.333344 0.500000 B\n",
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{
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"structure_string": "Mn4 B2\n1.0\n3.997792 -0.010279 -1.028750\n-2.404769 3.193671 -1.028750\n0.005144 0.010279 4.128031\nMn B\n4 2\ndirect\n0.658605 0.158606 0.817213 Mn\n0.158606 0.341394 0.500000 Mn\n0.841392 0.658606 0.500000 Mn\n0.341393 0.841393 0.182786 Mn\n0.250000 0.250000 -0.000000 B\n0.749999 0.749999 -0.000000 B\n",
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{
"id": "jvasp-54509",
"created_at": "2022-09-04T14:37:54.527294Z",
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"structure_string": "Mn8 B8\n1.0\n6.675964 -0.000000 -0.000000\n0.000000 6.675964 -0.000000\n-0.000000 0.000000 3.957619\nMn B\n8 8\ndirect\n0.131326 0.368673 0.131248 Mn\n0.368673 0.131326 0.368752 Mn\n0.131326 0.631326 0.631249 Mn\n0.631326 0.131326 0.868752 Mn\n0.868673 0.631326 0.131248 Mn\n0.368673 0.868673 0.868752 Mn\n0.868673 0.368673 0.631249 Mn\n0.631326 0.868673 0.368752 Mn\n0.322985 0.822985 0.371991 B\n0.822985 0.322985 0.128009 B\n0.177015 0.677014 0.128009 B\n0.822985 0.677014 0.628009 B\n0.677014 0.822985 0.871992 B\n0.322985 0.177015 0.871992 B\n0.177015 0.322985 0.628009 B\n0.677014 0.177015 0.371991 B\n",
"nsites": 16,
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"elements": [
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"density": 4.951839719351563,
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"volume": 176.3851239166331,
"volume_molar": 6.638850276225043,
"formula_full": "Mn8 B8",
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"spacegroup": 138
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{
"id": "jvasp-15887",
"created_at": "2022-09-04T14:37:55.142856Z",
"updated_at": "2022-09-04T14:37:55.142873Z",
"structure_string": "Mn3 B4\n1.0\n2.874487 -0.000000 -0.643967\n-0.149947 2.909237 -0.669321\n-0.019782 -0.006750 6.649127\nMn B\n3 4\ndirect\n0.184661 0.184650 0.369322 Mn\n0.815340 0.815351 0.630678 Mn\n0.500001 -0.000000 -0.000000 Mn\n0.932391 0.432395 0.864779 B\n0.067610 0.567606 0.135221 B\n0.356480 0.356487 0.712961 B\n0.643520 0.643514 0.287039 B\n",
"nsites": 7,
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"elements": [
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"density_atomic": 0.12600568163168216,
"volume": 55.55305053990486,
"volume_molar": 4.779261285695729,
"formula_full": "Mn3 B4",
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"formula_anonymous": "A3B4",
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"spacegroup": 71
},
{
"id": "jvasp-19590",
"created_at": "2022-09-04T14:38:01.446864Z",
"updated_at": "2022-09-04T14:38:01.446892Z",
"structure_string": "Mn1 B4\n1.0\n2.728529 0.005992 1.131230\n1.552735 3.519585 0.092512\n0.003448 0.014736 3.847960\nMn B\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.797266 0.862027 0.543439 B\n0.202736 0.456561 0.137974 B\n0.202735 0.137975 0.456560 B\n0.797266 0.543441 0.862025 B\n",
"nsites": 5,
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"elements": [
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"density": 4.415219514294651,
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"volume": 36.92571135666959,
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"formula_full": "Mn1 B4",
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"spacegroup": 71
},
{
"id": "jvasp-116494",
"created_at": "2022-09-04T14:38:43.381205Z",
"updated_at": "2022-09-04T14:38:43.381225Z",
"structure_string": "Mn4 B16\n1.0\n5.344391 0.000000 0.000000\n-0.000000 4.955090 2.305210\n-0.000000 0.014579 5.493928\nMn B\n4 16\ndirect\n0.999776 0.729482 0.276348 Mn\n0.499776 0.270518 0.223653 Mn\n0.000224 0.270518 0.723653 Mn\n0.500224 0.729482 0.776348 Mn\n0.631287 0.162227 0.658254 B\n0.131287 0.837774 0.841746 B\n0.368433 0.329862 0.826323 B\n0.868433 0.670139 0.673678 B\n0.631567 0.670139 0.173678 B\n0.131567 0.329861 0.326323 B\n0.314485 0.636042 0.138004 B\n0.685514 0.363958 0.861997 B\n0.868713 0.162226 0.158254 B\n0.185514 0.636043 0.638004 B\n0.320290 0.130759 0.627501 B\n0.820290 0.869241 0.872499 B\n0.679710 0.869241 0.372499 B\n0.179710 0.130759 0.127501 B\n0.814485 0.363958 0.361996 B\n0.368713 0.837774 0.341746 B\n",
"nsites": 20,
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"elements": [
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"volume": 145.31025041366837,
"volume_molar": 4.375393909309796,
"formula_full": "Mn4 B16",
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"formula_anonymous": "AB4",
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"spacegroup": 14
},
{
"id": "jvasp-21675",
"created_at": "2022-09-04T14:38:01.217529Z",
"updated_at": "2022-09-04T14:38:01.217538Z",
"structure_string": "Mn4 Be8\n1.0\n2.073698 -3.591750 0.000000\n2.073698 3.591750 0.000000\n-0.000000 -0.000000 6.752502\nMn Be\n4 8\ndirect\n0.333334 0.666668 0.060939 Mn\n0.666668 0.333334 0.560939 Mn\n0.666668 0.333334 0.939061 Mn\n0.333334 0.666668 0.439061 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.830042 0.660081 0.250000 Be\n0.169960 0.830041 0.750000 Be\n0.660081 0.830042 0.750000 Be\n0.339920 0.169959 0.250000 Be\n0.830041 0.169960 0.250000 Be\n0.169959 0.339920 0.750000 Be\n",
"nsites": 12,
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"elements": [
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"density": 4.817945988628294,
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"volume": 100.58803550202666,
"volume_molar": 5.047960904709015,
"formula_full": "Mn4 Be8",
"formula_reduced": "MnBe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2623764804597704,
"spacegroup": 194
},
{
"id": "jvasp-38150",
"created_at": "2022-09-04T14:38:30.750075Z",
"updated_at": "2022-09-04T14:38:30.750099Z",
"structure_string": "Mn6 Be2\n1.0\n2.391684 -4.142519 -0.000000\n2.391684 4.142519 0.000000\n-0.000000 -0.000000 4.031182\nMn Be\n6 2\ndirect\n0.172270 0.827728 0.750000 Mn\n0.655457 0.827728 0.750000 Mn\n0.172271 0.344541 0.750000 Mn\n0.827728 0.172270 0.250000 Mn\n0.344541 0.172271 0.250000 Mn\n0.827728 0.655457 0.250000 Mn\n0.333332 0.666666 0.250000 Be\n0.666666 0.333332 0.750000 Be\n",
"nsites": 8,
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"elements": [
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"density": 7.227097481020528,
"density_atomic": 0.10015191964744333,
"volume": 79.87864863860574,
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"formula_full": "Mn6 Be2",
"formula_reduced": "Mn3Be",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-39210",
"created_at": "2022-09-04T14:37:53.277471Z",
"updated_at": "2022-09-04T14:37:53.277495Z",
"structure_string": "Mn1 Be3\n1.0\n3.246666 0.000000 0.000000\n0.000000 3.246666 0.000000\n-0.000000 -0.000000 3.246666\nMn Be\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.000000 0.500001 Be\n0.000000 0.500001 0.500001 Be\n0.500001 0.500001 0.000000 Be\n",
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"formula_full": "Mn1 Be3",
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"spacegroup": 221
},
{
"id": "jvasp-56072",
"created_at": "2022-09-04T14:35:41.445297Z",
"updated_at": "2022-09-04T14:35:41.445323Z",
"structure_string": "Mn2 Bi2\n1.0\n2.151741 -3.726924 -0.000000\n2.151741 3.726924 0.000000\n0.000000 0.000000 5.760339\nMn Bi\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.250000 Bi\n0.666667 0.333333 0.750000 Bi\n",
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},
{
"id": "jvasp-5170",
"created_at": "2022-09-04T14:35:42.398026Z",
"updated_at": "2022-09-04T14:35:42.398045Z",
"structure_string": "Mn2 Bi2\n1.0\n1.993163 -3.452259 0.000000\n1.993163 3.452259 0.000000\n0.000000 0.000000 7.202559\nMn Bi\n2 2\ndirect\n0.666666 0.333332 0.250000 Mn\n0.333332 0.666666 0.750000 Mn\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
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},
{
"id": "jvasp-18312",
"created_at": "2022-09-04T14:38:12.291137Z",
"updated_at": "2022-09-04T14:38:12.291159Z",
"structure_string": "Mn2 Bi2\n1.0\n1.993142 -3.452223 -0.000000\n1.993142 3.452223 0.000000\n0.000000 -0.000000 7.202565\nMn Bi\n2 2\ndirect\n0.666666 0.333333 0.250000 Mn\n0.333333 0.666666 0.750001 Mn\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
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}