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{
"id": "jvasp-68198",
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"updated_at": "2022-09-04T14:36:15.354152Z",
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{
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"structure_string": "La1 Be1 Ga1\n1.0\n2.047780 -3.546861 0.000000\n2.047780 3.546861 -0.000000\n0.000000 0.000000 4.440895\nLa Be Ga\n1 1 1\ndirect\n0.666667 0.333333 0.333364 La\n0.000000 0.000000 0.833276 Be\n0.333333 0.666667 0.833363 Ga\n",
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{
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"structure_string": "La6 Be2 Ga2 S14\n1.0\n9.931650 -0.000000 0.000000\n-4.965825 8.601061 0.000000\n-0.000000 -0.000000 6.457078\nLa Be Ga S\n6 2 2 14\ndirect\n0.376552 0.211560 0.727154 La\n0.788440 0.164992 0.727154 La\n0.623448 0.788440 0.227154 La\n0.835008 0.623448 0.727154 La\n0.211560 0.835008 0.227154 La\n0.164992 0.376552 0.227154 La\n0.000000 0.000000 0.337770 Be\n0.000000 0.000000 -0.162230 Be\n0.333333 0.666667 0.649713 Ga\n0.666666 0.333333 0.149712 Ga\n0.129804 0.895937 0.810583 S\n0.895937 0.766132 0.310583 S\n0.766132 0.870195 0.810583 S\n0.104063 0.233868 0.810583 S\n0.529189 0.087650 0.008499 S\n0.558461 0.470811 0.008499 S\n0.666666 0.333333 0.504812 S\n0.912349 0.441539 0.008499 S\n0.441538 0.529189 0.508499 S\n0.087650 0.558461 0.508499 S\n0.233868 0.129805 0.310583 S\n0.333333 0.666667 0.004812 S\n0.470810 0.912349 0.508499 S\n0.870195 0.104063 0.310583 S\n",
"nsites": 24,
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"elements": [
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"S"
],
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"density_atomic": 0.04351127155371335,
"volume": 551.5812143153005,
"volume_molar": 13.840415471576945,
"formula_full": "La6 Be2 Ga2 S14",
"formula_reduced": "La3BeGaS7",
"formula_anonymous": "ABC3D7",
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"spacegroup": 173
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{
"id": "jvasp-70895",
"created_at": "2022-09-04T14:36:07.233614Z",
"updated_at": "2022-09-04T14:36:07.233639Z",
"structure_string": "Li2 Be1 Ga1\n1.0\n2.907768 0.000000 -0.000000\n0.000000 2.907768 0.000000\n0.000000 -0.000000 6.479804\nLi Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.991142 Li\n0.500000 0.500000 0.284148 Li\n0.000000 0.000000 0.500821 Be\n0.500000 0.500000 0.723886 Ga\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li2 Be1 Ga1",
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"spacegroup": 99
},
{
"id": "jvasp-71485",
"created_at": "2022-09-04T14:36:07.999474Z",
"updated_at": "2022-09-04T14:36:07.999483Z",
"structure_string": "Li1 Be2 Ga1\n1.0\n2.994265 -0.000000 0.000000\n0.000000 2.994265 0.000000\n-0.000000 -0.000000 5.159352\nLi Be Ga\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.736284 Be\n0.000000 0.000000 0.263716 Be\n0.499999 0.499999 0.000000 Ga\n",
"nsites": 4,
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],
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"formula_full": "Li1 Be2 Ga1",
"formula_reduced": "LiBe2Ga",
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"spacegroup": 123
},
{
"id": "jvasp-70430",
"created_at": "2022-09-04T14:36:09.133122Z",
"updated_at": "2022-09-04T14:36:09.133141Z",
"structure_string": "Li1 Be2 Ga1\n1.0\n-1.980845 1.980845 2.799824\n1.980845 -1.980845 2.799824\n1.980845 1.980845 -2.799824\nLi Be Ga\n1 2 1\ndirect\n0.749998 0.250000 0.499999 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.749998 0.499999 Be\n0.499999 0.499999 0.000000 Ga\n",
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"volume": 43.94320311925253,
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"formula_full": "Li1 Be2 Ga1",
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"spacegroup": 216
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{
"id": "jvasp-74655",
"created_at": "2022-09-04T14:35:51.112624Z",
"updated_at": "2022-09-04T14:35:51.112663Z",
"structure_string": "Li1 Be2 Ga1\n1.0\n2.578393 -0.000000 -0.000000\n0.000000 2.578393 0.000000\n0.000000 0.000000 7.403870\nLi Be Ga\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.758603 Be\n0.000000 0.000000 0.241397 Be\n0.499999 0.499999 0.000000 Ga\n",
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"formula_full": "Li1 Be2 Ga1",
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},
{
"id": "jvasp-70886",
"created_at": "2022-09-04T14:35:48.622903Z",
"updated_at": "2022-09-04T14:35:48.622924Z",
"structure_string": "Li1 Be1 Ga4\n1.0\n-0.000000 3.765368 3.765368\n3.765368 -0.000000 3.765368\n3.765368 3.765368 0.000000\nLi Be Ga\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.124889 0.625038 0.625038 Ga\n0.625038 0.625038 0.625038 Ga\n0.625038 0.124889 0.625038 Ga\n0.625038 0.625038 0.124889 Ga\n",
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"formula_full": "Li1 Be1 Ga4",
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{
"id": "jvasp-74626",
"created_at": "2022-09-04T14:35:57.253053Z",
"updated_at": "2022-09-04T14:35:57.253069Z",
"structure_string": "Li1 Be1 Ga1\n1.0\n1.370016 -2.372938 -0.000000\n1.370016 2.372938 0.000000\n0.000000 -0.000000 6.349620\nLi Be Ga\n1 1 1\ndirect\n0.666668 0.333334 0.328827 Li\n-0.000000 0.000000 0.992535 Be\n0.333334 0.666668 0.678638 Ga\n",
"nsites": 3,
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"formula_full": "Li1 Be1 Ga1",
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},
{
"id": "jvasp-67022",
"created_at": "2022-09-04T14:35:50.515021Z",
"updated_at": "2022-09-04T14:35:50.515054Z",
"structure_string": "Mg1 Be1 Ga1\n1.0\n1.504628 -2.606094 -0.000000\n1.504628 2.606094 0.000000\n0.000000 0.000000 6.167574\nMg Be Ga\n1 1 1\ndirect\n0.333334 0.666667 0.682395 Mg\n0.000000 0.000000 0.014815 Be\n0.666667 0.333334 0.302789 Ga\n",
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},
{
"id": "jvasp-64894",
"created_at": "2022-09-04T14:35:44.770732Z",
"updated_at": "2022-09-04T14:35:44.770761Z",
"structure_string": "Mg1 Be1 Ga4\n1.0\n0.000000 3.801651 3.801651\n3.801651 -0.000000 3.801651\n3.801651 3.801651 -0.000000\nMg Be Ga\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Be\n0.374614 0.374614 0.374614 Ga\n0.374614 0.876159 0.374614 Ga\n0.374614 0.374614 0.876159 Ga\n0.876159 0.374614 0.374614 Ga\n",
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{
"id": "jvasp-71421",
"created_at": "2022-09-04T14:35:41.094425Z",
"updated_at": "2022-09-04T14:35:41.094460Z",
"structure_string": "Mn1 Be1 Ga1\n1.0\n1.318720 -2.284090 -0.000000\n1.318720 2.284090 0.000000\n0.000000 -0.000000 6.038188\nMn Be Ga\n1 1 1\ndirect\n0.333333 0.666667 0.683601 Mn\n0.000000 0.000000 0.982359 Be\n0.666667 0.333333 0.334040 Ga\n",
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