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{
"id": "jvasp-93314",
"created_at": "2022-09-04T14:36:32.867162Z",
"updated_at": "2022-09-04T14:36:32.867187Z",
"structure_string": "Mg3 Cd3\n1.0\n3.281858 -0.000000 0.000000\n-1.640929 2.842172 0.000000\n0.000000 -0.000000 14.253830\nMg Cd\n3 3\ndirect\n0.333333 0.666666 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.833333 Mg\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.333333 Cd\n0.333333 0.666666 0.666667 Cd\n",
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{
"id": "jvasp-79178",
"created_at": "2022-09-04T14:38:03.929903Z",
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"structure_string": "Mg3 Cd1\n1.0\n6.277686 -0.112563 0.000000\n-1.618162 2.802740 0.000000\n0.000000 0.000000 5.039928\nMg Cd\n3 1\ndirect\n0.671323 0.671323 0.250000 Mg\n0.329646 0.329645 0.750000 Mg\n0.831618 0.331618 0.750000 Mg\n0.167417 0.667417 0.250000 Cd\n",
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{
"id": "jvasp-79181",
"created_at": "2022-09-04T14:37:09.029307Z",
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"structure_string": "Mg3 C1\n1.0\n6.198660 -0.883411 0.000000\n-1.932193 3.346657 0.000000\n0.000000 0.000000 3.864471\nMg C\n3 1\ndirect\n0.829501 0.829502 0.250000 Mg\n0.300793 0.300793 0.750000 Mg\n0.829497 0.329497 0.750000 Mg\n0.040211 0.540211 0.250000 C\n",
"nsites": 4,
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"elements": [
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"density": 1.9168135082666287,
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"volume": 73.5712900603867,
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"formula_full": "Mg3 C1",
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"spacegroup": 99
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{
"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",
"formula_reduced": "Mg2C",
"formula_anonymous": "AB2",
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"spacegroup": 123
},
{
"id": "jvasp-120325",
"created_at": "2022-09-04T14:38:47.751558Z",
"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",
"nsites": 3,
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"elements": [
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"density": 2.0159254834674307,
"density_atomic": 0.07536369578930342,
"volume": 39.80696499262976,
"volume_molar": 7.990771547133625,
"formula_full": "Mg1 C2",
"formula_reduced": "MgC2",
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"spacegroup": 65
},
{
"id": "jvasp-120326",
"created_at": "2022-09-04T14:38:47.839679Z",
"updated_at": "2022-09-04T14:38:47.839719Z",
"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",
"nsites": 3,
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"elements": [
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"density": 2.5535697590957627,
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"volume": 39.42051719404921,
"volume_molar": 7.913196779152154,
"formula_full": "Mg2 C1",
"formula_reduced": "Mg2C",
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"spacegroup": 225
},
{
"id": "jvasp-120327",
"created_at": "2022-09-04T14:38:51.716874Z",
"updated_at": "2022-09-04T14:38:51.716903Z",
"structure_string": "Mg2 C2\n1.0\n5.352307 -0.603819 2.148332\n2.687977 -5.229682 0.914215\n0.431923 -2.842863 -2.261235\nMg C\n2 2\ndirect\n0.961651 0.863668 0.060311 Mg\n0.466295 0.836304 0.582226 Mg\n0.577874 0.221590 0.087059 C\n0.343568 0.455206 0.086243 C\n",
"nsites": 4,
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"elements": [
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"density": 1.9537213020486275,
"density_atomic": 0.06479613330219848,
"volume": 61.73207869279266,
"volume_molar": 9.293981682384855,
"formula_full": "Mg2 C2",
"formula_reduced": "MgC",
"formula_anonymous": "AB",
"energy_above_hull": 1.937184525,
"spacegroup": 35
},
{
"id": "jvasp-120324",
"created_at": "2022-09-04T14:38:51.455898Z",
"updated_at": "2022-09-04T14:38:51.455917Z",
"structure_string": "Mg1 C2\n1.0\n2.509075 0.382967 0.528782\n-0.608471 -5.202543 0.051718\n-0.757896 -0.436453 -2.451646\nMg C\n1 2\ndirect\n-0.078569 0.874937 -0.303118 Mg\n0.749737 0.366103 0.865174 C\n0.091648 0.383637 0.530315 C\n",
"nsites": 3,
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"elements": [
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"density": 2.7176401755864736,
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"volume": 29.52851369693213,
"volume_molar": 5.927495530550442,
"formula_full": "Mg1 C2",
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"spacegroup": 12
},
{
"id": "jvasp-120322",
"created_at": "2022-09-04T14:38:47.721237Z",
"updated_at": "2022-09-04T14:38:47.721263Z",
"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",
"nsites": 3,
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"density": 1.7249384260996106,
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"volume": 58.357468922676546,
"volume_molar": 11.714563074989458,
"formula_full": "Mg2 C1",
"formula_reduced": "Mg2C",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5660993666666665,
"spacegroup": 47
},
{
"id": "jvasp-91875",
"created_at": "2022-09-04T14:35:48.809897Z",
"updated_at": "2022-09-04T14:35:48.809929Z",
"structure_string": "Mg7 C1\n1.0\n6.112147 -0.000000 -0.000000\n-3.056074 5.293274 -0.000000\n0.000000 0.000000 4.823722\nMg C\n7 1\ndirect\n0.165187 0.832592 0.250000 Mg\n0.667408 0.334813 0.250000 Mg\n0.667408 0.832592 0.250000 Mg\n0.324980 0.175020 0.750000 Mg\n0.324980 0.649961 0.750000 Mg\n0.850039 0.175020 0.750000 Mg\n0.833334 0.666666 0.750000 Mg\n0.166667 0.333333 0.250000 C\n",
"nsites": 8,
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"elements": [
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"density": 1.9380616322393243,
"density_atomic": 0.05126129227287347,
"volume": 156.0631744789909,
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"formula_full": "Mg7 C1",
"formula_reduced": "Mg7C",
"formula_anonymous": "AB7",
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"spacegroup": 187
},
{
"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",
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"volume": 76.88061376705194,
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"formula_full": "Mg2 C4",
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"spacegroup": 136
},
{
"id": "jvasp-12954",
"created_at": "2022-09-04T14:36:42.940774Z",
"updated_at": "2022-09-04T14:36:42.940809Z",
"structure_string": "Mg4 C6\n1.0\n3.717355 0.000000 0.000000\n0.000000 5.288684 -0.000000\n0.000000 -0.000000 6.429169\nMg C\n4 6\ndirect\n0.500001 0.892852 0.208291 Mg\n0.500001 0.107147 0.791709 Mg\n0.000000 0.392852 0.291709 Mg\n0.000000 0.607147 0.708291 Mg\n0.500001 0.706396 0.882704 C\n0.500001 0.293603 0.117296 C\n0.000000 0.206397 0.617296 C\n0.000000 0.793602 0.382704 C\n0.000000 0.000000 0.500000 C\n0.500001 0.500000 0.000000 C\n",
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"formula_full": "Mg4 C6",
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"formula_anonymous": "A2B3",
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]
}