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{
"id": "jvasp-35693",
"created_at": "2022-09-04T14:37:18.998672Z",
"updated_at": "2022-09-04T14:37:18.998697Z",
"structure_string": "Sr1 Cd1 O2\n1.0\n3.528191 0.000000 0.000000\n0.000000 3.528191 -0.000000\n0.000000 0.000000 4.949200\nSr Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
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"density": 6.253939610827539,
"density_atomic": 0.06492632352216529,
"volume": 61.60829357039497,
"volume_molar": 9.275345396608037,
"formula_full": "Sr1 Cd1 O2",
"formula_reduced": "SrCdO2",
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"spacegroup": 123
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{
"id": "jvasp-39512",
"created_at": "2022-09-04T14:37:48.831961Z",
"updated_at": "2022-09-04T14:37:48.831987Z",
"structure_string": "Sr1 Cd1 Si1\n1.0\n4.457547 -0.000000 2.573567\n1.485850 4.202617 2.573567\n-0.000000 -0.000000 5.147132\nSr Cd Si\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"density": 3.9284818140055315,
"density_atomic": 0.031112879338255375,
"volume": 96.42309113805801,
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"formula_full": "Sr1 Cd1 Si1",
"formula_reduced": "SrCdSi",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-8142",
"created_at": "2022-09-04T14:37:04.709234Z",
"updated_at": "2022-09-04T14:37:04.709262Z",
"structure_string": "Sr1 Cd2 As2\n1.0\n2.252222 -3.900964 0.000000\n2.252222 3.900964 -0.000000\n-0.000000 -0.000000 7.435878\nSr Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666666 0.633102 Cd\n0.666666 0.333333 0.366899 Cd\n0.666666 0.333333 0.752964 As\n0.333333 0.666666 0.247037 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Cd",
"As"
],
"chemical_system": "As-Cd-Sr",
"density": 5.875078813786175,
"density_atomic": 0.0382670174222979,
"volume": 130.66082325732913,
"volume_molar": 15.737157389462354,
"formula_full": "Sr1 Cd2 As2",
"formula_reduced": "Sr(CdAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-16849",
"created_at": "2022-09-04T14:38:30.743157Z",
"updated_at": "2022-09-04T14:38:30.743172Z",
"structure_string": "Sr1 Cd2 Ga2\n1.0\n4.284813 0.000000 -1.575398\n-0.579228 4.245482 -1.575398\n-0.018900 -0.021652 6.563272\nSr Cd Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.499999 Cd\n0.249999 0.750000 0.499999 Cd\n0.609122 0.609123 0.218245 Ga\n0.390877 0.390877 0.781754 Ga\n",
"nsites": 5,
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"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Sr",
"density": 6.300358536524066,
"density_atomic": 0.04198124973281803,
"volume": 119.10078980072255,
"volume_molar": 14.34483441614247,
"formula_full": "Sr1 Cd2 Ga2",
"formula_reduced": "Sr(CdGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-15981",
"created_at": "2022-09-04T14:36:19.644874Z",
"updated_at": "2022-09-04T14:36:19.644890Z",
"structure_string": "Sr1 Cd2 Ge2\n1.0\n4.243787 -0.000000 -1.549123\n-0.565481 4.205943 -1.549123\n0.075175 0.085959 6.793382\nSr Cd Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750001 0.250000 0.500001 Cd\n0.250001 0.750000 0.500000 Cd\n0.606727 0.606726 0.213454 Ge\n0.393275 0.393274 0.786547 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Cd",
"Ge"
],
"chemical_system": "Cd-Ge-Sr",
"density": 6.210386524509222,
"density_atomic": 0.040854297846210474,
"volume": 122.3861445085094,
"volume_molar": 14.740531786078892,
"formula_full": "Sr1 Cd2 Ge2",
"formula_reduced": "Sr(CdGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-2754",
"created_at": "2022-09-04T14:36:36.800377Z",
"updated_at": "2022-09-04T14:36:36.800399Z",
"structure_string": "Sr1 Cd2 P2\n1.0\n2.189423 -3.792190 0.000000\n2.189423 3.792190 0.000000\n0.000000 0.000000 7.289222\nSr Cd P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.364088 Cd\n0.666666 0.333332 0.635911 Cd\n0.666666 0.333332 0.250397 P\n0.333332 0.666666 0.749603 P\n",
"nsites": 5,
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"elements": [
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"Cd",
"P"
],
"chemical_system": "Cd-P-Sr",
"density": 5.136199069346184,
"density_atomic": 0.041308465908988394,
"volume": 121.04056371921669,
"volume_molar": 14.57846624773744,
"formula_full": "Sr1 Cd2 P2",
"formula_reduced": "Sr(CdP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2319270500000001,
"spacegroup": 164
},
{
"id": "jvasp-15808",
"created_at": "2022-09-04T14:36:57.140921Z",
"updated_at": "2022-09-04T14:36:57.140940Z",
"structure_string": "Sr1 Cd2 Sb2\n1.0\n2.388294 -4.136647 0.000000\n2.388294 4.136647 -0.000000\n-0.000000 -0.000000 7.830924\nSr Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.366781 Cd\n0.666666 0.333332 0.633219 Cd\n0.333332 0.666666 0.752158 Sb\n0.666666 0.333332 0.247842 Sb\n",
"nsites": 5,
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"elements": [
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"Cd",
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],
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"density": 5.966435521764381,
"density_atomic": 0.03231400217995657,
"volume": 154.7316848019944,
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"formula_full": "Sr1 Cd2 Sb2",
"formula_reduced": "Sr(CdSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-100756",
"created_at": "2022-09-04T14:36:39.914385Z",
"updated_at": "2022-09-04T14:36:39.914406Z",
"structure_string": "Sr1 Cd3\n1.0\n4.581597 -0.000000 2.645186\n1.527199 4.319571 2.645186\n-0.000000 -0.000000 5.290373\nSr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Sr",
"density": 6.738201452156677,
"density_atomic": 0.03820464737511275,
"volume": 104.69930426856074,
"volume_molar": 15.762848694483539,
"formula_full": "Sr1 Cd3",
"formula_reduced": "SrCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1596645563636363,
"spacegroup": 225
},
{
"id": "jvasp-106730",
"created_at": "2022-09-04T14:36:49.757417Z",
"updated_at": "2022-09-04T14:36:49.757443Z",
"structure_string": "Sr1 Cd4 S5\n1.0\n3.945863 -0.001770 15.675665\n1.941138 3.435377 15.675665\n-0.003034 -0.001770 16.164662\nSr Cd S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.597102 0.597103 0.597101 Cd\n0.198989 0.198989 0.198989 Cd\n0.801011 0.801011 0.801009 Cd\n0.402898 0.402898 0.402897 Cd\n0.704607 0.704607 0.704605 S\n0.500000 0.500000 0.499999 S\n0.101942 0.101942 0.101941 S\n0.295394 0.295394 0.295393 S\n0.898059 0.898059 0.898057 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Cd",
"S"
],
"chemical_system": "Cd-S-Sr",
"density": 5.279851520319992,
"density_atomic": 0.045579860144375865,
"volume": 219.39514444152826,
"volume_molar": 13.21228441887415,
"formula_full": "Sr1 Cd4 S5",
"formula_reduced": "SrCd4S5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0630175310000001,
"spacegroup": 166
},
{
"id": "jvasp-100542",
"created_at": "2022-09-04T14:36:35.323324Z",
"updated_at": "2022-09-04T14:36:35.323346Z",
"structure_string": "Sr1 Ce1 Al1 O4\n1.0\n3.605851 0.000781 -5.729004\n-0.299479 3.593393 -5.729004\n-0.000718 -0.000781 6.769317\nSr Ce Al O\n1 1 1 4\ndirect\n0.643904 0.643904 -0.000000 Sr\n0.356674 0.356674 1.000000 Ce\n0.003600 0.003600 -0.000000 Al\n0.995064 0.495065 0.500000 O\n0.495064 0.995064 0.500000 O\n0.839640 0.839639 -0.000000 O\n0.166050 0.166050 1.000000 O\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Al-Ce-O-Sr",
"density": 6.0359595598509825,
"density_atomic": 0.07983486063550382,
"volume": 87.6809947969896,
"volume_molar": 7.5432470377757,
"formula_full": "Sr1 Ce1 Al1 O4",
"formula_reduced": "SrCeAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6269755157142858,
"spacegroup": 107
},
{
"id": "jvasp-105863",
"created_at": "2022-09-04T14:35:59.937664Z",
"updated_at": "2022-09-04T14:35:59.937691Z",
"structure_string": "Sr1 Ce1 Hg2\n1.0\n4.752680 0.000000 2.743961\n1.584227 4.480869 2.743961\n0.000000 0.000000 5.487921\nSr Ce Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 Ce\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.935792362839145,
"density_atomic": 0.03422561959291658,
"volume": 116.87151460153113,
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"formula_full": "Sr1 Ce1 Hg2",
"formula_reduced": "SrCeHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110998",
"created_at": "2022-09-04T14:38:40.054317Z",
"updated_at": "2022-09-04T14:38:40.054343Z",
"structure_string": "Sr1 Ce1 N2\n1.0\n3.693031 -0.000000 0.000000\n0.000000 3.693031 0.000000\n-0.000000 -0.000000 5.012823\nSr Ce N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 -0.000000 N\n",
"nsites": 4,
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"elements": [
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"density": 6.211771107055052,
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"volume": 68.36727603777534,
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"formula_full": "Sr1 Ce1 N2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
}
]
}