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{
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{
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{
"id": "mp-684726",
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"structure_string": "La39 Se56\n1.0\n7.428433 -0.002008 -2.639644\n-3.708458 6.448853 -2.618465\n-0.115326 -0.018318 55.106058\nLa Se\n39 56\ndirect\n0.130221 0.752096 0.982859 La\n0.122410 0.747818 0.838803 La\n0.248981 0.623558 0.910134 La\n0.375640 0.251184 0.946487 La\n0.249454 0.625328 0.767918 La\n0.126667 0.750820 0.696842 La\n0.623984 0.374147 0.892173 La\n0.374304 0.249765 0.803493 La\n0.747382 0.870274 0.874012 La\n0.121964 0.749516 0.552641 La\n0.876891 0.126196 0.964458 La\n0.252378 0.630130 0.626079 La\n0.750754 0.875961 0.732593 La\n0.375704 0.250701 0.661155 La\n0.624653 0.374812 0.750186 La\n0.874067 0.124959 0.821098 La\n0.237387 0.614487 0.477999 La\n0.367729 0.248558 0.516046 La\n0.751970 0.877375 0.589592 La\n0.628568 0.377029 0.607580 La\n0.879727 0.128855 0.679124 La\n0.235329 0.619954 0.338190 La\n0.737224 0.855104 0.441553 La\n0.360531 0.242807 0.372130 La\n0.607679 0.348822 0.460983 La\n0.875868 0.124034 0.535312 La\n0.243804 0.633769 0.197824 La\n0.746623 0.869040 0.301333 La\n0.378166 0.250138 0.232802 La\n0.623397 0.362825 0.321180 La\n0.879107 0.126813 0.391844 La\n0.251658 0.640698 0.057714 La\n0.752479 0.880584 0.161209 La\n0.391508 0.257743 0.093128 La\n0.626950 0.369173 0.180277 La\n0.885998 0.136269 0.251271 La\n0.754539 0.884186 0.019069 La\n0.639027 0.386236 0.038752 La\n0.892995 0.140010 0.110606 La\n0.999350 0.850364 0.928471 Se\n0.998888 0.350134 0.928432 Se\n0.498647 0.000817 0.977740 Se\n0.000116 0.848867 0.785795 Se\n0.150626 0.151022 0.878847 Se\n0.000282 0.348835 0.785752 Se\n0.349043 0.500699 0.857350 Se\n0.647472 0.647845 0.949344 Se\n0.999056 0.848848 0.642896 Se\n0.999764 0.348371 0.642781 Se\n0.150392 0.150354 0.735822 Se\n0.500713 0.000420 0.906999 Se\n0.348766 0.500151 0.714199 Se\n0.651403 0.651165 0.807427 Se\n0.500270 0.000371 0.835701 Se\n0.004317 0.857769 0.501155 Se\n0.849013 0.499909 0.857264 Se\n0.499193 0.999237 0.764090 Se\n0.153653 0.153360 0.593564 Se\n0.003814 0.359169 0.501254 Se\n0.354250 0.501443 0.571882 Se\n0.650823 0.650636 0.664293 Se\n0.499189 0.999847 0.692617 Se\n0.996197 0.854715 0.356010 Se\n0.848300 0.499089 0.714179 Se\n0.500223 0.000122 0.621545 Se\n0.158462 0.164824 0.452837 Se\n0.001324 0.343838 0.357383 Se\n0.358899 0.498228 0.429664 Se\n0.503869 0.004015 0.551463 Se\n0.656739 0.658692 0.522942 Se\n0.993676 0.851754 0.212439 Se\n0.854677 0.501703 0.571989 Se\n0.512922 0.009152 0.481723 Se\n0.155522 0.157991 0.308107 Se\n0.999604 0.341558 0.213640 Se\n0.359767 0.494263 0.286505 Se\n0.503868 0.002211 0.407219 Se\n0.636481 0.647618 0.377718 Se\n0.993190 0.851807 0.069535 Se\n0.846390 0.502148 0.429751 Se\n0.148891 0.152131 0.164302 Se\n0.508313 0.004147 0.338080 Se\n0.994465 0.335556 0.069483 Se\n0.357080 0.492677 0.143074 Se\n0.502890 0.001434 0.263634 Se\n0.632774 0.643236 0.233970 Se\n0.842609 0.498448 0.285858 Se\n0.509181 0.004216 0.194509 Se\n0.144286 0.141115 0.019252 Se\n0.351960 0.497095 0.999439 Se\n0.500726 0.998460 0.119690 Se\n0.632602 0.639037 0.090767 Se\n0.841532 0.495531 0.142135 Se\n0.495030 0.995778 0.048417 Se\n0.849799 0.496003 0.999044 Se\n",
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"formula_full": "La39 Se56",
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"spacegroup": 1
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{
"id": "mp-1008999",
"created_at": "2022-09-04T14:47:36.026100Z",
"structure_string": "La1 Se1\n1.0\n3.713578 0.000000 0.000000\n0.000000 3.713578 0.000000\n0.000000 0.000000 3.713578\nLa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n",
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{
"id": "mp-1185605",
"created_at": "2022-09-04T14:43:40.446610Z",
"structure_string": "La2 Se6\n1.0\n3.050770 -5.284089 0.000000\n3.050770 5.284089 0.000000\n0.000000 0.000000 6.052322\nLa Se\n2 6\ndirect\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n0.826381 0.173619 0.750000 Se\n0.347237 0.173619 0.750000 Se\n0.826381 0.652763 0.750000 Se\n0.173619 0.826381 0.250000 Se\n0.652763 0.826381 0.250000 Se\n0.173619 0.347237 0.250000 Se\n",
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{
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{
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{
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"id": "mp-1223",
"created_at": "2022-09-04T14:47:59.179356Z",
"structure_string": "La8 Sb6\n1.0\n-4.858632 4.858632 4.858632\n4.858632 -4.858632 4.858632\n4.858632 4.858632 -4.858632\nLa Sb\n8 6\ndirect\n0.642087 0.500000 0.000000 La\n0.500000 0.000000 0.642087 La\n0.000000 0.642087 0.500000 La\n0.857913 0.857913 0.857913 La\n0.500000 0.000000 0.142087 La\n0.142087 0.500000 0.000000 La\n0.000000 0.142087 0.500000 La\n0.357913 0.357913 0.357913 La\n0.875000 0.250000 0.125000 Sb\n0.625000 0.750000 0.375000 Sb\n0.250000 0.125000 0.875000 Sb\n0.750000 0.375000 0.625000 Sb\n0.125000 0.875000 0.250000 Sb\n0.375000 0.625000 0.750000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"La",
"Sb"
],
"chemical_system": "La-Sb",
"density": 6.666385785288553,
"density_atomic": 0.03051588894719279,
"volume": 458.77739377760724,
"volume_molar": 19.73444316310499,
"formula_full": "La8 Sb6",
"formula_reduced": "La4Sb3",
"formula_anonymous": "A3B4",
"energy": -81.29358402,
"energy_per_atom": -5.806684572857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.14158402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0259834,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.161000Z",
"spacegroup": 220
}
]
}