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{
"id": "jvasp-120326",
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"structure_string": "Mg2 C1\n1.0\n3.664834 -0.481831 0.808175\n2.526102 -5.358936 2.843093\n-0.991923 1.872663 -3.150867\nMg C\n2 1\ndirect\n0.809339 0.693613 -0.027329 Mg\n0.309677 0.192567 -0.028468 Mg\n0.059537 0.943087 0.972101 C\n",
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{
"id": "jvasp-120322",
"created_at": "2022-09-04T14:38:47.721237Z",
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"structure_string": "Mg2 C1\n1.0\n3.348853 0.000000 0.000000\n0.000000 3.003745 0.000000\n0.000000 0.000000 5.801460\nMg C\n2 1\ndirect\n-0.033329 0.000000 0.763673 Mg\n-0.033329 0.000000 0.236327 Mg\n0.466657 0.000000 0.000000 C\n",
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{
"id": "jvasp-120325",
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"updated_at": "2022-09-04T14:38:47.751583Z",
"structure_string": "Mg1 C2\n1.0\n4.416955 0.000000 0.632243\n0.000000 3.647241 0.000000\n0.375935 0.000000 2.524805\nMg C\n1 2\ndirect\n0.466665 0.000000 0.133352 Mg\n-0.106790 0.000000 -0.579998 C\n0.040124 0.000000 0.846647 C\n",
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"formula_full": "Mg1 C2",
"formula_reduced": "MgC2",
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"spacegroup": 65
},
{
"id": "jvasp-118677",
"created_at": "2022-09-04T14:38:46.869731Z",
"updated_at": "2022-09-04T14:38:46.869768Z",
"structure_string": "Mg1 C3\n1.0\n4.423120 0.802477 -0.136223\n1.930696 -3.558000 -0.682834\n-0.664200 -2.536035 -2.826322\nMg C\n1 3\ndirect\n0.443691 0.028121 0.728269 Mg\n0.040498 -0.080720 0.995197 C\n0.943617 0.028147 0.228032 C\n0.846871 0.136906 0.460976 C\n",
"nsites": 4,
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"volume": 42.55145655169494,
"volume_molar": 6.406271522433279,
"formula_full": "Mg1 C3",
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"formula_anonymous": "AB3",
"energy_above_hull": 4.436109762499999,
"spacegroup": 2
},
{
"id": "jvasp-8690",
"created_at": "2022-09-04T14:36:38.279215Z",
"updated_at": "2022-09-04T14:36:38.279229Z",
"structure_string": "Mg2 C4\n1.0\n3.937629 -0.000000 0.000000\n0.000000 3.937629 0.000000\n0.000000 0.000000 4.958465\nMg C\n2 4\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.887838 0.887838 0.000000 C\n0.612162 0.387838 0.500000 C\n0.112162 0.112162 0.000000 C\n0.387838 0.612162 0.500000 C\n",
"nsites": 6,
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"density": 2.0875971513778255,
"density_atomic": 0.07804308142206023,
"volume": 76.88061376705194,
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"spacegroup": 136
},
{
"id": "jvasp-118674",
"created_at": "2022-09-04T14:38:26.662584Z",
"updated_at": "2022-09-04T14:38:26.662621Z",
"structure_string": "Mg2 C1\n1.0\n3.053457 0.000000 0.000000\n0.000000 3.053457 0.000000\n0.000000 0.000000 7.032464\nMg C\n2 1\ndirect\n0.000000 -0.000000 0.295280 Mg\n0.000000 -0.000000 0.704720 Mg\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
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"elements": [
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"chemical_system": "C-Mg",
"density": 1.53524930638411,
"density_atomic": 0.04575411086278707,
"volume": 65.56787889500816,
"volume_molar": 13.161966534679081,
"formula_full": "Mg2 C1",
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"spacegroup": 123
},
{
"id": "jvasp-39130",
"created_at": "2022-09-04T14:38:30.273033Z",
"updated_at": "2022-09-04T14:38:30.273069Z",
"structure_string": "Mg2 Cd4\n1.0\n2.790141 -4.832665 0.000000\n2.790141 4.832665 0.000000\n0.000000 0.000000 4.842314\nMg Cd\n2 4\ndirect\n0.333333 0.666667 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.662654 -0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n-0.000000 0.662654 0.000000 Cd\n0.337346 0.337346 0.000000 Cd\n",
"nsites": 6,
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"density": 6.335838608166524,
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"volume": 130.5857492997509,
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"formula_full": "Mg2 Cd4",
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"spacegroup": 189
},
{
"id": "jvasp-118679",
"created_at": "2022-09-04T14:38:28.197142Z",
"updated_at": "2022-09-04T14:38:28.197166Z",
"structure_string": "Mg2 Cd1\n1.0\n3.120186 0.000000 0.000000\n0.000000 3.070983 0.000000\n0.000000 0.000000 7.909885\nMg Cd\n2 1\ndirect\n-0.033325 0.000000 0.683213 Mg\n-0.033325 0.000000 0.316788 Mg\n0.466649 0.000000 0.000000 Cd\n",
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"volume": 75.79281993365986,
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"formula_full": "Mg2 Cd1",
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"spacegroup": 47
},
{
"id": "jvasp-91866",
"created_at": "2022-09-04T14:35:46.169419Z",
"updated_at": "2022-09-04T14:35:46.169451Z",
"structure_string": "Mg7 Cd1\n1.0\n6.332018 0.000000 0.000000\n-3.166009 5.483688 0.000000\n0.000000 -0.000000 5.136831\nMg Cd\n7 1\ndirect\n0.164965 0.832482 0.250000 Mg\n0.667518 0.335036 0.250000 Mg\n0.667518 0.832482 0.250000 Mg\n0.333143 0.166858 0.750000 Mg\n0.333143 0.666287 0.750000 Mg\n0.833713 0.166858 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cd\n",
"nsites": 8,
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"density": 2.630438213390585,
"density_atomic": 0.04485179528146294,
"volume": 178.3652125806069,
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"formula_full": "Mg7 Cd1",
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"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-93324",
"created_at": "2022-09-04T14:35:42.275315Z",
"updated_at": "2022-09-04T14:35:42.275339Z",
"structure_string": "Mg4 Cd2\n1.0\n3.250074 0.000000 -0.000000\n-1.625037 2.814647 -0.000000\n-0.000000 -0.000000 14.606751\nMg Cd\n4 2\ndirect\n0.333332 0.666668 0.913650 Mg\n0.333332 0.666668 0.586350 Mg\n0.666666 0.333333 0.413650 Mg\n0.666666 0.333333 0.086350 Mg\n0.666666 0.333333 0.750000 Cd\n0.333332 0.666668 0.250000 Cd\n",
"nsites": 6,
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"volume": 133.6197979669085,
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"formula_full": "Mg4 Cd2",
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"spacegroup": 194
},
{
"id": "jvasp-91920",
"created_at": "2022-09-04T14:36:05.856239Z",
"updated_at": "2022-09-04T14:36:05.856258Z",
"structure_string": "Mg6 Cd2\n1.0\n4.440547 -0.000000 0.000000\n-0.000000 4.440547 -0.000000\n0.000000 -0.000000 8.865353\nMg Cd\n6 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "jvasp-93528",
"created_at": "2022-09-04T14:36:06.786615Z",
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"structure_string": "Mg2 Cd4\n1.0\n3.280850 0.000000 0.000000\n-1.640424 2.841299 0.000000\n0.000000 0.000000 14.238652\nMg Cd\n2 4\ndirect\n0.333334 0.666667 0.165266 Mg\n0.333334 0.666667 0.834734 Mg\n0.333334 0.666667 0.500000 Cd\n0.000000 0.000000 0.330017 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.669982 Cd\n",
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}