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{
"id": "jvasp-40923",
"created_at": "2022-09-04T14:37:41.487721Z",
"updated_at": "2022-09-04T14:37:41.487737Z",
"structure_string": "Er1 Mg1 Cd2\n1.0\n0.000000 3.559507 3.559507\n3.559507 -0.000000 3.559507\n3.559507 3.559507 -0.000000\nEr Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.750002 0.750002 0.750002 Mg\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Cd\n",
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{
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"updated_at": "2022-09-04T14:37:46.080403Z",
"structure_string": "Er1 Mg1 Hg2\n1.0\n-0.000000 3.547969 3.547969\n3.547969 -0.000000 3.547969\n3.547969 3.547969 -0.000000\nEr Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:36:42.839264Z",
"updated_at": "2022-09-04T14:36:42.839285Z",
"structure_string": "Er1 Mg1 Pd2\n1.0\n4.091478 -0.000000 2.362216\n1.363826 3.857482 2.362216\n-0.000000 -0.000000 4.724432\nEr Mg Pd\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750000 0.750001 Pd\n",
"nsites": 4,
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"elements": [
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"density": 9.005976493684194,
"density_atomic": 0.05364463076028923,
"volume": 74.5647783069657,
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"formula_full": "Er1 Mg1 Pd2",
"formula_reduced": "ErMgPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-100970",
"created_at": "2022-09-04T14:36:43.422076Z",
"updated_at": "2022-09-04T14:36:43.422097Z",
"structure_string": "Er1 Mg1 Rh2\n1.0\n3.981626 -0.000000 2.298793\n1.327209 3.753913 2.298793\n-0.000000 -0.000000 4.597586\nEr Mg Rh\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Rh\n0.750001 0.749999 0.749999 Rh\n",
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"elements": [
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"density": 9.602296450532526,
"density_atomic": 0.05820837331421333,
"volume": 68.71863569194227,
"volume_molar": 10.345832424300909,
"formula_full": "Er1 Mg1 Rh2",
"formula_reduced": "ErMgRh2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-107920",
"created_at": "2022-09-04T14:36:21.571008Z",
"updated_at": "2022-09-04T14:36:21.571038Z",
"structure_string": "Er1 Mg1 Tl2\n1.0\n4.522604 -0.000000 2.611126\n1.507535 4.263952 2.611126\n-0.000000 -0.000000 5.222253\nEr Mg Tl\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Tl\n0.749999 0.750000 0.750001 Tl\n",
"nsites": 4,
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"elements": [
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"density": 9.898760132418657,
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"formula_full": "Er1 Mg1 Tl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38824",
"created_at": "2022-09-04T14:38:02.309303Z",
"updated_at": "2022-09-04T14:38:02.309321Z",
"structure_string": "Er1 Mg1 Zn2\n1.0\n0.000000 3.379283 3.379283\n3.379283 -0.000000 3.379283\n3.379283 3.379283 0.000000\nEr Mg Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.749998 0.749998 0.749998 Mg\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Er-Mg-Zn",
"density": 6.936113584131692,
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"formula_full": "Er1 Mg1 Zn2",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-108624",
"created_at": "2022-09-04T14:37:55.827612Z",
"updated_at": "2022-09-04T14:37:55.827646Z",
"structure_string": "Er1 Mg2 Sc1\n1.0\n4.469806 -0.000000 2.580644\n1.489935 4.214174 2.580644\n-0.000000 -0.000000 5.161287\nEr Mg Sc\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Er\n0.250001 0.250000 0.250000 Mg\n0.750002 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
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"elements": [
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"density": 4.4549108782103835,
"density_atomic": 0.041143463153718016,
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"formula_full": "Er1 Mg2 Sc1",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-41961",
"created_at": "2022-09-04T14:37:32.005994Z",
"updated_at": "2022-09-04T14:37:32.006029Z",
"structure_string": "Er1 Mg3\n1.0\n0.000000 3.628997 3.628997\n3.628997 0.000000 3.628997\n3.628997 3.628997 0.000000\nEr Mg\n1 3\ndirect\n0.750001 0.750001 0.750001 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Er-Mg",
"density": 4.1723935502045,
"density_atomic": 0.04184756264063703,
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"formula_full": "Er1 Mg3",
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{
"id": "jvasp-104572",
"created_at": "2022-09-04T14:36:46.952217Z",
"updated_at": "2022-09-04T14:36:46.952242Z",
"structure_string": "Er1 Mg5\n1.0\n8.639646 0.028178 0.000000\n-8.037004 3.170306 0.000000\n0.000000 0.000000 5.232259\nEr Mg\n1 5\ndirect\n0.220533 0.779470 -0.000000 Er\n0.002050 0.997953 0.500000 Mg\n0.663858 0.336144 0.500000 Mg\n0.335538 0.664464 0.500000 Mg\n0.552973 0.447029 -0.000000 Mg\n0.891723 0.108278 -0.000000 Mg\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.318637538263836,
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"volume": 144.49818887418687,
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"formula_full": "Er1 Mg5",
"formula_reduced": "ErMg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0476116350000001,
"spacegroup": 38
},
{
"id": "jvasp-23808",
"created_at": "2022-09-04T14:37:39.071200Z",
"updated_at": "2022-09-04T14:37:39.071227Z",
"structure_string": "Er1 Mn12\n1.0\n4.242114 0.000000 1.664899\n2.121057 5.827723 0.832449\n-0.008040 0.000000 6.257328\nEr Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Er\n0.725061 0.774939 0.774940 Mn\n0.499999 -0.000000 0.500000 Mn\n0.000001 0.500000 -0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.364444 0.635556 0.635556 Mn\n0.000000 0.364444 0.635556 Mn\n0.000001 0.635556 0.364444 Mn\n0.635556 0.364444 0.364444 Mn\n0.274939 0.225061 0.225061 Mn\n0.500000 0.774939 0.225061 Mn\n0.500000 0.225061 0.774939 Mn\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Er-Mn",
"density": 8.867700419442825,
"density_atomic": 0.08399515659488464,
"volume": 154.77082878361713,
"volume_molar": 7.169628588283091,
"formula_full": "Er1 Mn12",
"formula_reduced": "ErMn12",
"formula_anonymous": "AB12",
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"spacegroup": 139
},
{
"id": "jvasp-105517",
"created_at": "2022-09-04T14:38:46.519679Z",
"updated_at": "2022-09-04T14:38:46.519731Z",
"structure_string": "Er1 Mn1 Fe1 O4\n1.0\n3.449801 0.067563 7.779129\n1.701770 3.001611 7.779129\n0.113404 0.067563 8.509002\nEr Mn Fe O\n1 1 1 4\ndirect\n-0.004864 -0.004864 -0.004864 Er\n0.210018 0.210018 0.210019 Mn\n0.785081 0.785079 0.785083 Fe\n0.706892 0.706890 0.706894 O\n0.288015 0.288014 0.288016 O\n0.877579 0.877576 0.877581 O\n0.132079 0.132079 0.132079 O\n",
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],
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"density": 6.79187561976344,
"density_atomic": 0.08370708522555531,
"volume": 83.62494024416154,
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"formula_full": "Er1 Mn1 Fe1 O4",
"formula_reduced": "ErMnFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.738623820197044,
"spacegroup": 160
},
{
"id": "jvasp-93861",
"created_at": "2022-09-04T14:36:33.404844Z",
"updated_at": "2022-09-04T14:36:33.404871Z",
"structure_string": "Er1 Mn1 Ni4\n1.0\n-3.442892 -3.442892 0.000000\n-3.442892 -0.000000 -3.442892\n0.000000 -3.442892 -3.442892\nEr Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.750000 0.750000 Mn\n0.872587 0.375804 0.375804 Ni\n0.375804 0.872587 0.375804 Ni\n0.375804 0.375804 0.872587 Ni\n0.375804 0.375804 0.375804 Ni\n",
"nsites": 6,
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"formula_full": "Er1 Mn1 Ni4",
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"formula_anonymous": "ABC4",
"energy_above_hull": 1.7521461402298857,
"spacegroup": 216
}
]
}