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{
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{
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"structure_string": "Nd2 Sb4 Pd2\n1.0\n5.781962 0.000000 0.000000\n0.000000 5.781962 0.000000\n0.000000 0.000000 6.196418\nNd Sb Pd\n2 4 2\ndirect\n0.750000 0.750000 0.669819 Nd\n0.250000 0.250000 0.330181 Nd\n0.750000 0.750000 0.161910 Sb\n0.250000 0.250000 0.838090 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.750000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n",
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{
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{
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{
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{
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{
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"structure_string": "Li2 Dy4 Br10\n1.0\n3.401112 8.167281 0.000000\n-3.401112 8.167281 0.000000\n0.000000 0.162175 7.783314\nLi Dy Br\n2 4 10\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.738481 0.118721 0.067213 Dy\n0.881279 0.261519 0.432787 Dy\n0.261519 0.881279 0.932787 Dy\n0.118721 0.738481 0.567213 Dy\n0.264666 0.142914 0.162684 Br\n0.857086 0.735334 0.337316 Br\n0.877326 0.122674 0.750000 Br\n0.122674 0.877326 0.250000 Br\n0.313589 0.507058 0.898968 Br\n0.492942 0.686411 0.601032 Br\n0.686411 0.492942 0.101032 Br\n0.507058 0.313589 0.398968 Br\n0.142914 0.264666 0.662684 Br\n0.735334 0.857086 0.837316 Br\n",
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"nelements": 3,
"elements": [
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"Dy",
"Br"
],
"chemical_system": "Br-Dy-Li",
"density": 5.617942498931352,
"density_atomic": 0.03700215379558706,
"volume": 432.40726170670064,
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"formula_full": "Li2 Dy4 Br10",
"formula_reduced": "LiDy2Br5",
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"spacegroup": 15
},
{
"id": "mp-1071623",
"created_at": "2022-09-04T14:39:48.073135Z",
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"elements": [
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],
"chemical_system": "Au-Cu-Sn",
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"formula_full": "Cu2 Sn2 Au2",
"formula_reduced": "CuSnAu",
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},
{
"id": "mp-1225551",
"created_at": "2022-09-04T14:39:48.074536Z",
"structure_string": "Er1 Cu1 Ge1\n1.0\n-2.108023 -3.649072 0.000000\n-2.110248 3.650356 0.000000\n0.000000 0.000000 -3.669233\nEr Cu Ge\n1 1 1\ndirect\n0.999807 0.999722 0.000000 Er\n0.333278 0.666949 0.500000 Cu\n0.666815 0.333329 0.500000 Ge\n",
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"elements": [
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],
"chemical_system": "Cu-Er-Ge",
"density": 8.919911019125472,
"density_atomic": 0.0531071130607643,
"volume": 56.48960802232742,
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"formula_full": "Er1 Cu1 Ge1",
"formula_reduced": "ErCuGe",
"formula_anonymous": "ABC",
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"energy_uncorrected": -15.19060885,
"band_gap": 0.0,
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"total_magnetization": 0.0003042,
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"updated_at": "2021-11-28T01:34:37.514000Z",
"spacegroup": 187
},
{
"id": "mp-1225681",
"created_at": "2022-09-04T14:39:48.079116Z",
"structure_string": "Dy1 S3 N3\n1.0\n0.000000 -4.187615 0.000000\n-5.277802 0.000000 2.303414\n-0.869082 0.000000 -6.872799\nDy S N\n1 3 3\ndirect\n0.000000 0.494008 0.350487 Dy\n0.500000 0.329979 0.552862 S\n0.500000 0.712781 0.680141 S\n0.500000 0.812418 0.411409 S\n0.000000 0.705562 0.072328 N\n0.000000 0.915066 0.091344 N\n0.000000 0.126487 0.108030 N\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"S",
"N"
],
"chemical_system": "Dy-N-S",
"density": 3.11545107597994,
"density_atomic": 0.04367316254438105,
"volume": 160.2814999460261,
"volume_molar": 13.789110769984308,
"formula_full": "Dy1 S3 N3",
"formula_reduced": "Dy(SN)3",
"formula_anonymous": "AB3C3",
"energy": -47.16413346,
"energy_per_atom": -6.737733351428572,
"energy_above_hull": null,
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"energy_uncorrected": -44.57213346,
"band_gap": 1.6134,
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"updated_at": "2021-11-28T01:34:24.261000Z",
"spacegroup": 6
},
{
"id": "mp-1094550",
"created_at": "2022-09-04T14:39:48.086455Z",
"structure_string": "Mg3 Sb3\n1.0\n1.769945 -8.267342 0.000000\n1.769945 8.267342 0.000000\n0.000000 0.000000 5.287291\nMg Sb\n3 3\ndirect\n0.338400 0.661600 0.000000 Mg\n0.102058 0.897942 0.500000 Mg\n0.777475 0.222525 0.500000 Mg\n0.981698 0.018302 0.000000 Sb\n0.691951 0.308049 0.000000 Sb\n0.441752 0.558248 0.500000 Sb\n",
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"elements": [
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"volume": 154.73511574212333,
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"formula_full": "Mg3 Sb3",
"formula_reduced": "MgSb",
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"energy": -18.25691715,
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"updated_at": "2021-11-28T01:34:43.834000Z",
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}
]
}