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{
"id": "jvasp-64898",
"created_at": "2022-09-04T14:35:50.323711Z",
"updated_at": "2022-09-04T14:35:50.323740Z",
"structure_string": "Mn1 Be2 Nb1\n1.0\n-1.796380 1.796380 3.664335\n1.796380 -1.796380 3.664335\n1.796380 1.796380 -3.664335\nMn Be Nb\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Nb\n",
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],
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"density": 5.8232064426315295,
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"volume": 47.2989592207663,
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"formula_full": "Mn1 Be2 Nb1",
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{
"id": "jvasp-67289",
"created_at": "2022-09-04T14:36:09.246659Z",
"updated_at": "2022-09-04T14:36:09.246683Z",
"structure_string": "Mn1 Be2 Nb1\n1.0\n2.782029 0.000000 0.000000\n0.000000 2.782029 0.000000\n0.000000 0.000000 6.074872\nMn Be Nb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.792122 Be\n0.000000 0.000000 0.207878 Be\n0.500000 0.500000 0.500000 Nb\n",
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],
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"formula_full": "Mn1 Be2 Nb1",
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"spacegroup": 123
},
{
"id": "jvasp-67742",
"created_at": "2022-09-04T14:35:55.404760Z",
"updated_at": "2022-09-04T14:35:55.404782Z",
"structure_string": "Na1 Mn1 Be2\n1.0\n4.331894 0.000000 0.000000\n0.000000 4.331894 0.000000\n0.000000 0.000000 2.441457\nNa Mn Be\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Na\n0.500000 0.500000 0.500001 Mn\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Be-Mn-Na",
"density": 3.47775684513112,
"density_atomic": 0.08730824722521667,
"volume": 45.81468678075473,
"volume_molar": 6.897562316725406,
"formula_full": "Na1 Mn1 Be2",
"formula_reduced": "NaMnBe2",
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"spacegroup": 123
},
{
"id": "jvasp-65035",
"created_at": "2022-09-04T14:36:04.877986Z",
"updated_at": "2022-09-04T14:36:04.877999Z",
"structure_string": "Na1 Mn4 Be1\n1.0\n-0.000000 3.331818 3.331818\n3.331818 0.000000 3.331818\n3.331818 3.331818 -0.000000\nNa Mn Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.123176 0.625609 0.625609 Mn\n0.625609 0.625609 0.625609 Mn\n0.625609 0.123176 0.625609 Mn\n0.625609 0.625609 0.123176 Mn\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
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"elements": [
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"Mn",
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],
"chemical_system": "Be-Mn-Na",
"density": 5.651345999737413,
"density_atomic": 0.08111056831347369,
"volume": 73.97309776959496,
"volume_molar": 7.424606787029049,
"formula_full": "Na1 Mn4 Be1",
"formula_reduced": "NaMn4Be",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.4524356775862075,
"spacegroup": 216
},
{
"id": "jvasp-70324",
"created_at": "2022-09-04T14:36:07.501093Z",
"updated_at": "2022-09-04T14:36:07.501122Z",
"structure_string": "Na1 Mn1 Be2\n1.0\n-2.101143 2.101143 2.971543\n2.101143 -2.101143 2.971543\n2.101143 2.101143 -2.971543\nNa Mn Be\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Na\n0.250000 0.749999 0.499999 Mn\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Mn-Na",
"density": 3.0363421190264996,
"density_atomic": 0.07622663693680663,
"volume": 52.475094805980724,
"volume_molar": 7.90031018289902,
"formula_full": "Na1 Mn1 Be2",
"formula_reduced": "NaMnBe2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-67591",
"created_at": "2022-09-04T14:36:10.502663Z",
"updated_at": "2022-09-04T14:36:10.502681Z",
"structure_string": "Na1 Mn1 Be1\n1.0\n-1.219954 1.219954 6.747111\n1.219954 -1.219954 6.747111\n1.219954 1.219954 -6.747111\nNa Mn Be\n1 1 1\ndirect\n0.667204 0.667204 0.000000 Na\n0.357345 0.357345 0.000000 Mn\n0.975451 0.975451 0.000000 Be\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Be-Mn-Na",
"density": 3.5942142172665608,
"density_atomic": 0.07468897471220062,
"volume": 40.16657092375299,
"volume_molar": 8.062958131645459,
"formula_full": "Na1 Mn1 Be1",
"formula_reduced": "NaMnBe",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-69838",
"created_at": "2022-09-04T14:35:47.563436Z",
"updated_at": "2022-09-04T14:35:47.563465Z",
"structure_string": "Na1 Mn1 Be2\n1.0\n2.846504 -0.000000 0.000000\n0.000000 2.846504 0.000000\n0.000000 0.000000 6.561489\nNa Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Na\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.837383 Be\n0.000000 0.000000 0.162617 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Be-Mn-Na",
"density": 2.9969392109016777,
"density_atomic": 0.07523743642706693,
"volume": 53.165022493522734,
"volume_molar": 8.004181224114003,
"formula_full": "Na1 Mn1 Be2",
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"spacegroup": 123
},
{
"id": "jvasp-68574",
"created_at": "2022-09-04T14:35:50.485643Z",
"updated_at": "2022-09-04T14:35:50.485664Z",
"structure_string": "Na2 Mn1 Be1\n1.0\n2.976832 0.000000 0.000000\n0.000000 2.976832 -0.000000\n0.000000 -0.000000 8.811322\nNa Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.949198 Na\n0.500000 0.500000 0.311535 Na\n0.500000 0.500000 0.672618 Mn\n0.000000 0.000000 0.566647 Be\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.3378394116862617,
"density_atomic": 0.051228338183369776,
"volume": 78.08178328334917,
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"formula_full": "Na2 Mn1 Be1",
"formula_reduced": "Na2MnBe",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-68027",
"created_at": "2022-09-04T14:36:19.890832Z",
"updated_at": "2022-09-04T14:36:19.890865Z",
"structure_string": "Na2 Mn1 Be1\n1.0\n-2.361395 2.361395 3.333373\n2.361395 -2.361395 3.333373\n2.361395 2.361395 -3.333373\nNa Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750001 0.500001 Na\n0.750001 0.250000 0.500001 Mn\n0.499999 0.499999 0.000000 Be\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
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"density": 2.455179311655673,
"density_atomic": 0.05379957042797464,
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"spacegroup": 216
},
{
"id": "jvasp-74290",
"created_at": "2022-09-04T14:36:09.614658Z",
"updated_at": "2022-09-04T14:36:09.614686Z",
"structure_string": "Mn1 Be1 Mo1\n1.0\n1.341790 -2.324048 0.000000\n1.341790 2.324048 -0.000000\n0.000000 -0.000000 5.875721\nMn Be Mo\n1 1 1\ndirect\n0.333333 0.666667 0.316621 Mn\n0.000000 0.000000 0.019428 Be\n0.666667 0.333333 0.663950 Mo\n",
"nsites": 3,
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"Mo"
],
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"formula_full": "Mn1 Be1 Mo1",
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"spacegroup": 156
},
{
"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",
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"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",
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"formula_full": "Mn6 Be2",
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"spacegroup": 194
}
]
}