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{
"id": "jvasp-123908",
"created_at": "2022-09-04T14:38:55.058097Z",
"updated_at": "2022-09-04T14:38:55.058124Z",
"structure_string": "Mg1 Br1\n1.0\n1.845609 -3.196693 0.000000\n1.845609 3.196693 0.000000\n0.000000 0.000000 4.186157\nMg Br\n1 1\ndirect\n0.333334 0.666667 0.250000 Mg\n0.666667 0.333334 0.750000 Br\n",
"nsites": 2,
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"elements": [
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"formula_full": "Mg1 Br1",
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"spacegroup": 187
},
{
"id": "jvasp-121209",
"created_at": "2022-09-04T14:38:53.219129Z",
"updated_at": "2022-09-04T14:38:53.219155Z",
"structure_string": "Mg2 Br1\n1.0\n6.552041 0.000000 -0.226639\n0.000000 3.562807 0.000000\n0.411229 0.000000 3.912919\nMg Br\n2 1\ndirect\n-0.175593 0.000000 0.000184 Mg\n0.143963 0.000000 0.463471 Mg\n0.431630 0.000000 -0.063655 Br\n",
"nsites": 3,
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"formula_full": "Mg2 Br1",
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"spacegroup": 6
},
{
"id": "jvasp-120314",
"created_at": "2022-09-04T14:38:51.621541Z",
"updated_at": "2022-09-04T14:38:51.621556Z",
"structure_string": "Mg1 Br2\n1.0\n3.662634 0.000000 0.000000\n0.000000 4.279996 0.000000\n0.000000 0.000000 7.154105\nMg Br\n1 2\ndirect\n0.466649 0.000000 0.000000 Mg\n-0.033324 0.000000 0.752112 Br\n-0.033324 0.000000 0.247889 Br\n",
"nsites": 3,
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"density": 2.7260973234403765,
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"volume": 112.14817113832675,
"volume_molar": 22.512402419052435,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1006166666666666,
"spacegroup": 47
},
{
"id": "jvasp-121211",
"created_at": "2022-09-04T14:38:55.263338Z",
"updated_at": "2022-09-04T14:38:55.263361Z",
"structure_string": "Mg2 Br1\n1.0\n3.640560 0.000000 0.000000\n0.000000 3.501974 0.000000\n0.000000 0.000000 7.234626\nMg Br\n2 1\ndirect\n-0.033326 0.000000 0.699010 Mg\n-0.033326 0.000000 0.300990 Mg\n0.466651 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"Br"
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"chemical_system": "Br-Mg",
"density": 2.3136749441247106,
"density_atomic": 0.03252550583878609,
"volume": 92.23530649668031,
"volume_molar": 18.515133292158374,
"formula_full": "Mg2 Br1",
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"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 47
},
{
"id": "jvasp-2068",
"created_at": "2022-09-04T14:36:47.693902Z",
"updated_at": "2022-09-04T14:36:47.693922Z",
"structure_string": "Mg1 Br2\n1.0\n1.922924 -3.330603 0.000000\n1.922924 3.330603 0.000000\n0.000000 0.000000 6.236984\nMg Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.240904 Br\n0.666666 0.333332 0.759095 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
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"chemical_system": "Br-Mg",
"density": 3.82687201186562,
"density_atomic": 0.03755187618569576,
"volume": 79.88948368824134,
"volume_molar": 16.036857200477108,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-120316",
"created_at": "2022-09-04T14:38:51.648361Z",
"updated_at": "2022-09-04T14:38:51.648384Z",
"structure_string": "Mg1 Br2\n1.0\n5.216196 -0.000000 -0.000000\n-2.608098 4.517358 -0.000000\n0.000000 -0.000000 4.313431\nMg Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.007961583953682,
"density_atomic": 0.029516168981280358,
"volume": 101.63920669727327,
"volume_molar": 20.402853648857143,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3449633333333333,
"spacegroup": 191
},
{
"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,
"nelements": 2,
"elements": [
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"C"
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"chemical_system": "C-Mg",
"density": 1.9380616322393243,
"density_atomic": 0.05126129227287347,
"volume": 156.0631744789909,
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"formula_full": "Mg7 C1",
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"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",
"nsites": 6,
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"density": 2.0875971513778255,
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"volume": 76.88061376705194,
"volume_molar": 7.716431297006344,
"formula_full": "Mg2 C4",
"formula_reduced": "MgC2",
"formula_anonymous": "AB2",
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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",
"nsites": 10,
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"C"
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"density": 2.2239705144397335,
"density_atomic": 0.07911585067403835,
"volume": 126.39692191645071,
"volume_molar": 7.611800554115952,
"formula_full": "Mg4 C6",
"formula_reduced": "Mg2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.49848362,
"spacegroup": 58
},
{
"id": "jvasp-79181",
"created_at": "2022-09-04T14:37:09.029307Z",
"updated_at": "2022-09-04T14:37:09.029328Z",
"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": [
"Mg",
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"density": 1.9168135082666287,
"density_atomic": 0.054369034398021744,
"volume": 73.5712900603867,
"volume_molar": 11.076416615960941,
"formula_full": "Mg3 C1",
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"formula_anonymous": "AB3",
"energy_above_hull": 1.0131492875,
"spacegroup": 99
},
{
"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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"volume": 65.56787889500816,
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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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"volume": 39.80696499262976,
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"formula_full": "Mg1 C2",
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]
}