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{
"id": "jvasp-66797",
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"structure_string": "Mg1 Be1 Zn1\n1.0\n-1.468034 1.468034 5.033119\n1.468034 -1.468034 5.033119\n1.468034 1.468034 -5.033119\nMg Be Zn\n1 1 1\ndirect\n0.341106 0.341106 0.000000 Mg\n0.018526 0.018526 0.000000 Be\n0.640369 0.640369 0.000000 Zn\n",
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{
"id": "jvasp-68478",
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"structure_string": "Mg1 Be1 Zn1\n1.0\n1.448399 -2.508701 -0.000000\n1.448399 2.508701 0.000000\n0.000000 -0.000000 6.307821\nMg Be Zn\n1 1 1\ndirect\n0.333333 0.666667 0.319884 Mg\n0.000000 0.000000 0.983075 Be\n0.666667 0.333333 0.697041 Zn\n",
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{
"id": "jvasp-71071",
"created_at": "2022-09-04T14:35:54.646943Z",
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"structure_string": "Mg1 Be1 Zn2\n1.0\n2.848777 0.000000 -0.000000\n0.000000 2.848777 0.000000\n0.000000 0.000000 7.249615\nMg Be Zn\n1 1 2\ndirect\n0.500001 0.500001 0.724602 Mg\n0.000000 0.000000 0.471022 Be\n0.000000 0.000000 0.018630 Zn\n0.500001 0.500001 0.285746 Zn\n",
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"density_atomic": 0.06798735400357334,
"volume": 58.83447088983291,
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"formula_full": "Mg1 Be1 Zn2",
"formula_reduced": "MgBeZn2",
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{
"id": "jvasp-74720",
"created_at": "2022-09-04T14:36:04.814728Z",
"updated_at": "2022-09-04T14:36:04.814747Z",
"structure_string": "Mg2 Zr1 Be1\n1.0\n-2.334442 2.334442 3.302369\n2.334442 -2.334442 3.302369\n2.334442 2.334442 -3.302369\nMg Zr Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750000 0.499999 Mg\n0.500000 0.500000 0.000000 Zr\n0.750000 0.250000 0.499999 Be\n",
"nsites": 4,
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],
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"density_atomic": 0.055565883592570045,
"volume": 71.98661735192594,
"volume_molar": 10.837838563238913,
"formula_full": "Mg2 Zr1 Be1",
"formula_reduced": "Mg2ZrBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.157767175,
"spacegroup": 216
},
{
"id": "jvasp-67456",
"created_at": "2022-09-04T14:35:59.651386Z",
"updated_at": "2022-09-04T14:35:59.651420Z",
"structure_string": "Mg1 Zr1 Be2\n1.0\n3.023972 0.000000 -0.000000\n-0.000000 3.023972 -0.000000\n-0.000000 -0.000000 6.649807\nMg Zr Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.764891 Be\n0.000000 0.000000 0.235110 Be\n",
"nsites": 4,
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"elements": [
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"density": 3.647030180243421,
"density_atomic": 0.06578023481006132,
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"formula_full": "Mg1 Zr1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-71175",
"created_at": "2022-09-04T14:35:50.526575Z",
"updated_at": "2022-09-04T14:35:50.526598Z",
"structure_string": "Mg1 Zr1 Be2\n1.0\n4.302228 -0.000000 -0.000000\n0.000000 4.302228 -0.000000\n0.000000 0.000000 3.311457\nMg Zr Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
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"formula_full": "Mg1 Zr1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-65260",
"created_at": "2022-09-04T14:35:43.488031Z",
"updated_at": "2022-09-04T14:35:43.488050Z",
"structure_string": "Mg1 Zr1 Be1\n1.0\n-1.513702 1.513702 5.777782\n1.513702 -1.513702 5.777782\n1.513702 1.513702 -5.777782\nMg Zr Be\n1 1 1\ndirect\n0.357286 0.357286 0.000000 Mg\n0.642036 0.642036 0.000000 Zr\n0.000677 0.000677 0.000000 Be\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.05665253429101385,
"volume": 52.95438302176459,
"volume_molar": 10.629958280534018,
"formula_full": "Mg1 Zr1 Be1",
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"formula_anonymous": "ABC",
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{
"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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"density": 4.817945988628294,
"density_atomic": 0.11929848256911453,
"volume": 100.58803550202666,
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"formula_full": "Mn4 Be8",
"formula_reduced": "MnBe2",
"formula_anonymous": "AB2",
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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",
"nsites": 8,
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"elements": [
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"volume": 79.87864863860574,
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"formula_full": "Mn6 Be2",
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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",
"nsites": 4,
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},
{
"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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{
"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",
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]
}