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{
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{
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"created_at": "2022-09-04T14:42:18.269495Z",
"structure_string": "Rb6 Yb14 Se24\n1.0\n4.390579 0.000000 0.000000\n0.000000 13.890502 0.000000\n0.000000 0.000000 22.976368\nRb Yb Se\n6 14 24\ndirect\n0.000000 0.013385 0.382636 Rb\n0.000000 0.501460 0.602393 Rb\n0.500000 0.498540 0.102393 Rb\n0.500000 0.986615 0.882636 Rb\n0.500000 0.760394 0.496610 Rb\n0.000000 0.239606 0.996610 Rb\n0.500000 0.484780 0.403702 Yb\n0.500000 0.023268 0.596434 Yb\n0.000000 0.976732 0.096434 Yb\n0.000000 0.515220 0.903702 Yb\n0.000000 0.418951 0.264687 Yb\n0.000000 0.088408 0.733265 Yb\n0.500000 0.911592 0.233265 Yb\n0.500000 0.581049 0.764687 Yb\n0.000000 0.244102 0.497777 Yb\n0.500000 0.755898 0.997777 Yb\n0.000000 0.692018 0.325166 Yb\n0.000000 0.811256 0.676636 Yb\n0.500000 0.188744 0.176636 Yb\n0.500000 0.307982 0.825166 Yb\n0.000000 0.598514 0.436913 Se\n0.000000 0.908434 0.566765 Se\n0.500000 0.091566 0.066765 Se\n0.500000 0.401486 0.936913 Se\n0.500000 0.550373 0.280957 Se\n0.500000 0.956751 0.719177 Se\n0.000000 0.043249 0.219177 Se\n0.000000 0.449627 0.780957 Se\n0.000000 0.628782 0.006265 Se\n0.000000 0.883243 0.986072 Se\n0.500000 0.116757 0.486072 Se\n0.500000 0.371218 0.506265 Se\n0.000000 0.323851 0.158459 Se\n0.000000 0.172566 0.842493 Se\n0.500000 0.827434 0.342493 Se\n0.500000 0.676149 0.658459 Se\n0.000000 0.298153 0.368941 Se\n0.000000 0.209224 0.629156 Se\n0.500000 0.790776 0.129156 Se\n0.500000 0.701847 0.868941 Se\n0.000000 0.743527 0.175196 Se\n0.000000 0.744427 0.820801 Se\n0.500000 0.255573 0.320801 Se\n0.500000 0.256473 0.675196 Se\n",
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{
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"structure_string": "Mn6 Si4 Te12\n1.0\n3.553537 -6.154907 0.000000\n3.553537 6.154907 0.000000\n0.000000 0.000000 14.242107\nMn Si Te\n6 4 12\ndirect\n0.333333 0.666667 0.506227 Mn\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.006227 Mn\n0.333333 0.666667 0.993773 Mn\n0.666667 0.333333 0.750000 Mn\n0.666667 0.333333 0.493773 Mn\n0.000000 0.000000 0.166164 Si\n0.000000 0.000000 0.333836 Si\n0.000000 0.000000 0.666164 Si\n0.000000 0.000000 0.833836 Si\n0.353306 0.010486 0.878003 Te\n0.342821 0.989514 0.378003 Te\n0.010486 0.657179 0.121997 Te\n0.353306 0.342821 0.621997 Te\n0.989514 0.646694 0.621997 Te\n0.342821 0.353306 0.121997 Te\n0.657179 0.646694 0.878003 Te\n0.010486 0.353306 0.378003 Te\n0.646694 0.657179 0.378003 Te\n0.989514 0.342821 0.878003 Te\n0.657179 0.010486 0.621997 Te\n0.646694 0.989514 0.121997 Te\n",
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"structure_string": "Sc88 Ir14\n1.0\n0.000000 10.371215 10.371215\n10.371215 0.000000 10.371215\n10.371215 10.371215 0.000000\nSc Ir\n88 14\ndirect\n0.056412 0.056412 0.830765 Sc\n0.056412 0.830765 0.056412 Sc\n0.830765 0.056412 0.056412 Sc\n0.056412 0.056412 0.056412 Sc\n0.308086 0.308086 0.075742 Sc\n0.308086 0.075742 0.308086 Sc\n0.075742 0.308086 0.308086 Sc\n0.308086 0.308086 0.308086 Sc\n0.162122 0.162122 0.513635 Sc\n0.162122 0.513635 0.162122 Sc\n0.513635 0.162122 0.162122 Sc\n0.162122 0.162122 0.162122 Sc\n0.440141 0.440141 0.679576 Sc\n0.440141 0.679576 0.440141 Sc\n0.679576 0.440141 0.440141 Sc\n0.440141 0.440141 0.440141 Sc\n0.190515 0.190515 0.809485 Sc\n0.809485 0.190515 0.809485 Sc\n0.190515 0.809485 0.809485 Sc\n0.809485 0.809485 0.190515 Sc\n0.190515 0.809485 0.190515 Sc\n0.809485 0.190515 0.190515 Sc\n0.856184 0.856184 0.643816 Sc\n0.643816 0.856184 0.643816 Sc\n0.856184 0.643816 0.643816 Sc\n0.643816 0.643816 0.856184 Sc\n0.856184 0.643816 0.856184 Sc\n0.643816 0.856184 0.856184 Sc\n0.021044 0.299125 0.658787 Sc\n0.021044 0.021044 0.658787 Sc\n0.299125 0.021044 0.658787 Sc\n0.021044 0.658787 0.299125 Sc\n0.299125 0.658787 0.021044 Sc\n0.021044 0.658787 0.021044 Sc\n0.658787 0.021044 0.021044 Sc\n0.658787 0.299125 0.021044 Sc\n0.658787 0.021044 0.299125 Sc\n0.299125 0.021044 0.021044 Sc\n0.021044 0.021044 0.299125 Sc\n0.021044 0.299125 0.021044 Sc\n0.286049 0.535912 0.891990 Sc\n0.286049 0.286049 0.891990 Sc\n0.535912 0.286049 0.891990 Sc\n0.286049 0.891990 0.535912 Sc\n0.535912 0.891990 0.286049 Sc\n0.286049 0.891990 0.286049 Sc\n0.891990 0.286049 0.286049 Sc\n0.891990 0.535912 0.286049 Sc\n0.891990 0.286049 0.535912 Sc\n0.535912 0.286049 0.286049 Sc\n0.286049 0.286049 0.535912 Sc\n0.286049 0.535912 0.286049 Sc\n0.663152 0.448379 0.225318 Sc\n0.663152 0.663152 0.225318 Sc\n0.448379 0.663152 0.225318 Sc\n0.663152 0.225318 0.448379 Sc\n0.448379 0.225318 0.663152 Sc\n0.663152 0.225318 0.663152 Sc\n0.225318 0.663152 0.663152 Sc\n0.225318 0.448379 0.663152 Sc\n0.225318 0.663152 0.448379 Sc\n0.448379 0.663152 0.663152 Sc\n0.663152 0.663152 0.448379 Sc\n0.663152 0.448379 0.663152 Sc\n0.514972 0.878973 0.091084 Sc\n0.514972 0.514972 0.091084 Sc\n0.878973 0.514972 0.091084 Sc\n0.514972 0.091084 0.878973 Sc\n0.878973 0.091084 0.514972 Sc\n0.514972 0.091084 0.514972 Sc\n0.091084 0.514972 0.514972 Sc\n0.091084 0.878973 0.514972 Sc\n0.091084 0.514972 0.878973 Sc\n0.878973 0.514972 0.514972 Sc\n0.514972 0.514972 0.878973 Sc\n0.514972 0.878973 0.514972 Sc\n0.787965 0.997555 0.426515 Sc\n0.787965 0.787965 0.426515 Sc\n0.997555 0.787965 0.426515 Sc\n0.787965 0.426515 0.997555 Sc\n0.997555 0.426515 0.787965 Sc\n0.787965 0.426515 0.787965 Sc\n0.426515 0.787965 0.787965 Sc\n0.426515 0.997555 0.787965 Sc\n0.426515 0.787965 0.997555 Sc\n0.997555 0.787965 0.787965 Sc\n0.787965 0.787965 0.997555 Sc\n0.787965 0.997555 0.787965 Sc\n0.918661 0.918661 0.244017 Ir\n0.918661 0.244017 0.918661 Ir\n0.244017 0.918661 0.918661 Ir\n0.918661 0.918661 0.918661 Ir\n0.650988 0.650988 0.047036 Ir\n0.650988 0.047036 0.650988 Ir\n0.047036 0.650988 0.650988 Ir\n0.650988 0.650988 0.650988 Ir\n0.409407 0.409407 0.090593 Ir\n0.090593 0.409407 0.090593 Ir\n0.409407 0.090593 0.090593 Ir\n0.090593 0.090593 0.409407 Ir\n0.409407 0.090593 0.409407 Ir\n0.090593 0.409407 0.409407 Ir\n",
"nsites": 102,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ir-Sc",
"density": 4.947276779160361,
"density_atomic": 0.04571737263620913,
"volume": 2231.0993418553066,
"volume_molar": 13.172543417839233,
"formula_full": "Sc88 Ir14",
"formula_reduced": "Sc44Ir7",
"formula_anonymous": "A7B44",
"energy": -718.97982867,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -718.97982867,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.5346594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.485000Z",
"spacegroup": 216
},
{
"id": "mp-1207893",
"created_at": "2022-09-04T14:42:18.301224Z",
"structure_string": "V5 Se8\n1.0\n3.575951 5.904882 0.000000\n-3.575951 5.904882 0.000000\n0.000000 5.797891 6.054117\nV Se\n5 8\ndirect\n0.000000 0.000000 0.000000 V\n0.729172 0.729172 0.043546 V\n0.270828 0.270828 0.956454 V\n0.711507 0.288493 0.500000 V\n0.288493 0.711507 0.500000 V\n0.537238 0.045417 0.169934 Se\n0.462762 0.954583 0.830066 Se\n0.954583 0.462762 0.830066 Se\n0.045417 0.537238 0.169934 Se\n0.982152 0.982152 0.322309 Se\n0.017848 0.017848 0.677691 Se\n0.442418 0.442418 0.334461 Se\n0.557582 0.557582 0.665539 Se\n",
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"elements": [
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],
"chemical_system": "Se-V",
"density": 5.756905923346493,
"density_atomic": 0.05084634786906013,
"volume": 255.67224677527855,
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"formula_full": "V5 Se8",
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"updated_at": "2021-11-28T01:35:44.108000Z",
"spacegroup": 12
}
]
}