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{
"id": "jvasp-100495",
"created_at": "2022-09-04T14:36:37.356712Z",
"updated_at": "2022-09-04T14:36:37.356727Z",
"structure_string": "Mg2 Bi6\n1.0\n7.028974 -0.000000 -0.000000\n-3.514487 6.087270 0.000000\n-0.000000 0.000000 5.597793\nMg Bi\n2 6\ndirect\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.174179 0.348357 0.250000 Bi\n0.174178 0.825821 0.250000 Bi\n0.651643 0.825821 0.250000 Bi\n0.348356 0.174179 0.750000 Bi\n0.825821 0.174179 0.750000 Bi\n0.825820 0.651643 0.750000 Bi\n",
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{
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"structure_string": "Mg2 Be26\n1.0\n6.179293 -0.000000 3.567616\n2.059764 5.825894 3.567616\n-0.000000 -0.000000 7.135234\nMg Be\n2 26\ndirect\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.934494 0.289876 0.710124 Be\n0.710123 0.065505 0.934495 Be\n0.065505 0.710123 0.289877 Be\n0.210123 0.434495 0.565505 Be\n0.434495 0.565505 0.210124 Be\n0.565505 0.210123 0.434495 Be\n0.210123 0.565505 0.789877 Be\n0.210123 0.789876 0.434496 Be\n0.789876 0.565505 0.434496 Be\n0.289876 0.710123 0.934495 Be\n0.289876 0.065505 0.710123 Be\n0.065505 0.934494 0.710124 Be\n0.000000 0.000000 0.000000 Be\n0.710123 0.289876 0.065506 Be\n0.934494 0.065505 0.289877 Be\n0.065505 0.289876 0.934495 Be\n0.789876 0.434495 0.210124 Be\n0.434494 0.789876 0.565506 Be\n0.434495 0.210123 0.789877 Be\n0.565504 0.789876 0.210125 Be\n0.789876 0.210123 0.565506 Be\n0.565504 0.434495 0.789877 Be\n0.289876 0.934494 0.065506 Be\n0.499999 0.500000 0.500001 Be\n0.934494 0.710123 0.065506 Be\n0.710123 0.934494 0.289878 Be\n",
"nsites": 28,
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"elements": [
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"formula_full": "Mg2 Be26",
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},
{
"id": "jvasp-119984",
"created_at": "2022-09-04T14:38:49.563948Z",
"updated_at": "2022-09-04T14:38:49.563968Z",
"structure_string": "Mg2 Be1\n1.0\n2.947986 0.000000 0.000000\n0.000000 2.954177 0.000000\n0.000000 0.000000 7.160229\nMg Be\n2 1\ndirect\n-0.033298 0.000000 0.705550 Mg\n-0.033298 0.000000 0.294450 Mg\n0.466597 0.000000 0.000000 Be\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.048109673903622814,
"volume": 62.35752098444571,
"volume_molar": 12.517525627099529,
"formula_full": "Mg2 Be1",
"formula_reduced": "Mg2Be",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-109561",
"created_at": "2022-09-04T14:38:18.601616Z",
"updated_at": "2022-09-04T14:38:18.601639Z",
"structure_string": "Mg2 Be6\n1.0\n5.477170 -0.000000 0.000000\n-2.738586 4.743368 0.000000\n0.000000 0.000000 3.579479\nMg Be\n2 6\ndirect\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.130956 0.261913 0.250000 Be\n0.130955 0.869044 0.250000 Be\n0.738087 0.869044 0.250000 Be\n0.261913 0.130956 0.750000 Be\n0.869044 0.130956 0.750000 Be\n0.869044 0.738087 0.750000 Be\n",
"nsites": 8,
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"volume": 92.99569811129945,
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"spacegroup": 194
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{
"id": "jvasp-1151",
"created_at": "2022-09-04T14:37:12.726488Z",
"updated_at": "2022-09-04T14:37:12.726513Z",
"structure_string": "Mg1 B2\n1.0\n1.536745 -2.661721 0.000000\n1.536745 2.661721 0.000000\n0.000000 0.000000 3.514640\nMg B\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333335 0.500000 B\n0.333335 0.666668 0.500000 B\n",
"nsites": 3,
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"elements": [
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"density": 2.652418158016148,
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"spacegroup": 191
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{
"id": "jvasp-19821",
"created_at": "2022-09-04T14:37:07.902626Z",
"updated_at": "2022-09-04T14:37:07.902652Z",
"structure_string": "Mg1 B2\n1.0\n1.536745 -2.661721 -0.000000\n1.536745 2.661721 0.000000\n-0.000000 -0.000000 3.514640\nMg B\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333335 0.500000 B\n0.333335 0.666668 0.500000 B\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-123904",
"created_at": "2022-09-04T14:38:55.508046Z",
"updated_at": "2022-09-04T14:38:55.508073Z",
"structure_string": "Mg1 B1\n1.0\n1.496642 -2.592262 0.000000\n1.496642 2.592262 0.000000\n-0.000000 0.000000 3.519037\nMg B\n1 1\ndirect\n0.333333 0.666666 0.250000 Mg\n0.666666 0.333333 0.750001 B\n",
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"formula_full": "Mg1 B1",
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"spacegroup": 187
},
{
"id": "jvasp-79185",
"created_at": "2022-09-04T14:37:10.378004Z",
"updated_at": "2022-09-04T14:37:10.378031Z",
"structure_string": "Mg3 B1\n1.0\n5.504500 -1.474901 0.000000\n-2.014776 3.489695 0.000000\n0.000000 0.000000 4.029935\nMg B\n3 1\ndirect\n0.750221 0.750221 0.250000 Mg\n0.250115 0.250115 0.750001 Mg\n0.750168 0.250168 0.750001 Mg\n0.249494 0.749493 0.250000 B\n",
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"volume": 65.43579145799137,
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"formula_full": "Mg3 B1",
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"spacegroup": 221
},
{
"id": "jvasp-91868",
"created_at": "2022-09-04T14:35:57.444606Z",
"updated_at": "2022-09-04T14:35:57.444633Z",
"structure_string": "Mg7 B1\n1.0\n6.149992 -0.000000 0.000000\n-3.074995 5.326048 -0.000000\n0.000000 0.000000 4.872530\nMg B\n7 1\ndirect\n0.165792 0.832896 0.250000 Mg\n0.667104 0.334208 0.250000 Mg\n0.667104 0.832896 0.250000 Mg\n0.325919 0.174081 0.750000 Mg\n0.325919 0.651840 0.750000 Mg\n0.848160 0.174081 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 B\n",
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},
{
"id": "jvasp-123903",
"created_at": "2022-09-04T14:38:54.989205Z",
"updated_at": "2022-09-04T14:38:54.989235Z",
"structure_string": "Mg1 Au1\n1.0\n1.798541 -3.115167 -0.000000\n1.798541 3.115167 -0.000000\n0.000000 -0.000000 3.587964\nMg Au\n1 1\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.749999 Au\n",
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},
{
"id": "jvasp-99600",
"created_at": "2022-09-04T14:36:53.274253Z",
"updated_at": "2022-09-04T14:36:53.274278Z",
"structure_string": "Mg2 Au4\n1.0\n6.847272 0.243487 0.000000\n-5.936858 3.420255 0.000000\n0.000000 0.000000 4.298916\nMg Au\n2 4\ndirect\n0.595516 0.404485 0.250000 Mg\n0.404485 0.595517 0.750001 Mg\n0.257714 0.742288 0.250000 Au\n0.929180 0.070821 0.250000 Au\n0.742287 0.257714 0.750001 Au\n0.070821 0.929181 0.750001 Au\n",
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},
{
"id": "jvasp-13855",
"created_at": "2022-09-04T14:36:46.393645Z",
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"structure_string": "Mg6 Au2\n1.0\n2.303722 -3.990164 -0.000000\n2.303722 3.990164 -0.000000\n-0.000000 0.000000 9.510115\nMg Au\n6 2\ndirect\n0.333333 0.666666 0.089959 Mg\n0.666666 0.333333 0.589959 Mg\n0.333333 0.666666 0.750000 Mg\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666666 0.410041 Mg\n0.666666 0.333333 0.910041 Mg\n0.000000 0.000000 0.250000 Au\n0.000000 0.000000 0.750000 Au\n",
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