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{
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"results": [
{
"id": "mp-571021",
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"structure_string": "K5 In1 Pb8\n1.0\n13.137637 -3.534023 0.000000\n13.137637 3.534023 0.000000\n12.186985 0.000000 6.046836\nK In Pb\n5 1 8\ndirect\n0.318079 0.318079 0.318079 K\n0.500000 0.500000 0.500000 K\n0.780171 0.780171 0.780171 K\n0.681921 0.681921 0.681921 K\n0.219829 0.219829 0.219829 K\n0.000000 0.000000 0.000000 In\n0.775876 0.775876 0.250487 Pb\n0.871580 0.871580 0.871580 Pb\n0.224124 0.749513 0.224124 Pb\n0.250487 0.775876 0.775876 Pb\n0.128420 0.128420 0.128420 Pb\n0.775876 0.250487 0.775876 Pb\n0.749512 0.224124 0.224124 Pb\n0.224124 0.224124 0.749513 Pb\n",
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{
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{
"id": "mp-31484",
"created_at": "2022-09-04T14:44:59.716651Z",
"structure_string": "K8 Ga2 Au16\n1.0\n2.958745 10.616187 0.000000\n-2.958745 10.616187 0.000000\n0.000000 1.490296 10.978901\nK Ga Au\n8 2 16\ndirect\n0.484408 0.484408 0.836912 K\n0.515592 0.515592 0.163088 K\n0.284990 0.284990 0.898634 K\n0.715010 0.715010 0.101366 K\n0.223456 0.223456 0.594752 K\n0.776544 0.776544 0.405248 K\n0.046044 0.046044 0.656091 K\n0.953956 0.953956 0.343909 K\n0.672993 0.672993 0.765625 Ga\n0.327007 0.327007 0.234375 Ga\n0.790351 0.790351 0.732661 Au\n0.209649 0.209649 0.267339 Au\n0.623952 0.623952 0.574412 Au\n0.376048 0.376048 0.425588 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.099075 0.099075 0.148834 Au\n0.900925 0.900925 0.851166 Au\n0.852467 0.353043 0.368108 Au\n0.646957 0.147533 0.631892 Au\n0.147533 0.646957 0.631892 Au\n0.353043 0.852467 0.368108 Au\n0.114867 0.649229 0.080185 Au\n0.350771 0.885133 0.919815 Au\n0.885133 0.350771 0.919815 Au\n0.649229 0.114867 0.080185 Au\n",
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"volume": 689.7075204314461,
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"spacegroup": 12
},
{
"id": "mp-1018009",
"created_at": "2022-09-04T14:48:05.435696Z",
"structure_string": "Li2 Mg1 Si1\n1.0\n0.000000 3.184765 3.184765\n3.184765 0.000000 3.184765\n3.184765 3.184765 0.000000\nLi Mg Si\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Si\n",
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"formula_full": "Li2 Mg1 Si1",
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"updated_at": "2021-11-28T01:38:29.011000Z",
"spacegroup": 216
},
{
"id": "mp-1112896",
"created_at": "2022-09-04T14:41:53.639144Z",
"structure_string": "Cs2 Al1 In1 I6\n1.0\n0.000000 6.111348 6.111348\n6.111348 0.000000 6.111348\n6.111348 6.111348 0.000000\nCs Al In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.770779 0.229221 0.229221 I\n0.229221 0.229221 0.770779 I\n0.229221 0.770779 0.770779 I\n0.229221 0.770779 0.229221 I\n0.770779 0.229221 0.770779 I\n0.770779 0.770779 0.229221 I\n",
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"elements": [
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"density": 4.252422549026411,
"density_atomic": 0.021905792051068552,
"volume": 456.5002706447314,
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"formula_full": "Cs2 Al1 In1 I6",
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"formula_anonymous": "ABC2D6",
"energy": -29.28751901,
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"updated_at": "2021-11-28T01:35:35.635000Z",
"spacegroup": 225
},
{
"id": "mp-771691",
"created_at": "2022-09-04T14:42:42.047346Z",
"structure_string": "Ca4 Pb4 I24\n1.0\n0.000000 10.544518 11.748631\n6.558114 0.000000 11.748631\n6.558114 10.544518 0.000000\nCa Pb I\n4 4 24\ndirect\n0.085623 0.695162 0.632369 Ca\n0.617631 0.663154 0.164377 Ca\n0.554838 0.164377 0.663154 Ca\n0.586846 0.632369 0.695162 Ca\n0.264423 0.607789 0.910948 Pb\n0.339052 0.033161 0.985577 Pb\n0.642211 0.985577 0.033161 Pb\n0.216839 0.910948 0.607789 Pb\n0.190108 0.602153 0.206153 I\n0.410267 0.972428 0.238172 I\n0.231733 0.794826 0.408405 I\n0.356473 0.273602 0.422515 I\n0.637986 0.417358 0.175839 I\n0.339886 0.464992 0.654505 I\n0.043847 0.248414 0.059892 I\n0.647847 0.059892 0.248414 I\n0.540617 0.654505 0.464992 I\n0.277572 0.839733 0.870867 I\n0.455174 0.018267 0.684964 I\n0.768817 0.175839 0.417358 I\n0.947410 0.422515 0.273602 I\n0.976398 0.893527 0.302590 I\n0.832642 0.612014 0.481183 I\n0.565036 0.408405 0.794826 I\n0.379133 0.238172 0.972428 I\n0.785008 0.910114 0.709383 I\n0.001586 0.206153 0.602153 I\n0.595495 0.709383 0.910114 I\n0.074161 0.481183 0.612014 I\n0.827485 0.302590 0.893527 I\n0.841595 0.684964 0.018267 I\n0.011828 0.870867 0.839733 I\n",
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"density_atomic": 0.01969368670232627,
"volume": 1624.8862127079578,
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"formula_full": "Ca4 Pb4 I24",
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"spacegroup": 43
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{
"id": "mp-1074041",
"created_at": "2022-09-04T14:40:20.072063Z",
"structure_string": "Mg18 Si10\n1.0\n7.255802 0.000000 0.000000\n3.483158 6.395918 0.000000\n2.291022 0.012129 12.002245\nMg Si\n18 10\ndirect\n0.349326 0.756276 0.399324 Mg\n0.608866 0.332472 0.569533 Mg\n0.614816 0.010284 0.412873 Mg\n0.142865 0.109095 0.573113 Mg\n0.873013 0.499989 0.410921 Mg\n0.930049 0.803896 0.574325 Mg\n0.670638 0.354901 0.951529 Mg\n0.446177 0.748825 0.083974 Mg\n0.099422 0.997345 0.933842 Mg\n0.806579 0.799243 0.908888 Mg\n0.390719 0.154629 0.999309 Mg\n0.935403 0.449977 0.092356 Mg\n0.257723 0.694828 0.743966 Mg\n0.612643 0.368913 0.245142 Mg\n0.474222 0.041042 0.744123 Mg\n0.308529 0.163837 0.253734 Mg\n0.791306 0.499290 0.726670 Mg\n0.102688 0.661797 0.222749 Mg\n0.841354 0.086328 0.751500 Si\n0.948789 0.092884 0.396322 Si\n0.031763 0.059408 0.174937 Si\n0.229911 0.569549 0.969690 Si\n0.201044 0.411203 0.644675 Si\n0.674821 0.756728 0.243611 Si\n0.092714 0.384927 0.862124 Si\n0.734842 0.014696 0.114254 Si\n0.278334 0.423462 0.417615 Si\n0.551492 0.754177 0.579183 Si\n",
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{
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"structure_string": "Na4 Mg4 H12\n1.0\n5.362016 0.000000 0.000000\n0.000000 5.442026 0.000000\n0.000000 0.000000 7.641923\nNa Mg H\n4 4 12\ndirect\n0.505560 0.530422 0.250000 Na\n0.994440 0.030422 0.250000 Na\n0.494440 0.469578 0.750000 Na\n0.005560 0.969578 0.750000 Na\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.794811 0.793222 0.043596 H\n0.705189 0.293222 0.456404 H\n0.205189 0.206778 0.543596 H\n0.294811 0.706778 0.956404 H\n0.205189 0.206778 0.956404 H\n0.294811 0.706778 0.543596 H\n0.794811 0.793222 0.456404 H\n0.705189 0.293222 0.043596 H\n0.416656 0.972600 0.250000 H\n0.083344 0.472600 0.250000 H\n0.583344 0.027400 0.750000 H\n0.916656 0.527400 0.750000 H\n",
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"formula_full": "Na4 Mg4 H12",
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{
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{
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{
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{
"id": "mp-568744",
"created_at": "2022-09-04T14:40:54.955753Z",
"structure_string": "Ba4 Cd6 Bi8\n1.0\n3.556061 -8.884857 0.000000\n3.556061 8.884857 0.000000\n0.000000 0.000000 9.432502\nBa Cd Bi\n4 6 8\ndirect\n0.883603 0.116397 0.577482 Ba\n0.383603 0.616397 0.922518 Ba\n0.616397 0.383603 0.077482 Ba\n0.116397 0.883603 0.422518 Ba\n0.471597 0.028403 0.750000 Cd\n0.528403 0.971597 0.250000 Cd\n0.028403 0.471597 0.250000 Cd\n0.971597 0.528403 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.814680 0.185320 0.948722 Bi\n0.685320 0.314680 0.448722 Bi\n0.185320 0.814680 0.051278 Bi\n0.697420 0.802580 0.250000 Bi\n0.802580 0.697420 0.750000 Bi\n0.197420 0.302580 0.250000 Bi\n0.302580 0.197420 0.750000 Bi\n0.314680 0.685320 0.551278 Bi\n",
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"density": 8.067030501918735,
"density_atomic": 0.03019923620643012,
"volume": 596.0415646594195,
"volume_molar": 19.94136778438703,
"formula_full": "Ba4 Cd6 Bi8",
"formula_reduced": "Ba2Cd3Bi4",
"formula_anonymous": "A2B3C4",
"energy": -52.70569723,
"energy_per_atom": -2.9280942905555554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.70569723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001719,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.430000Z",
"spacegroup": 64
}
]
}