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{
"id": "mp-1247386",
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"structure_string": "Rb12 B4 N8\n1.0\n6.902229 0.000000 0.015703\n0.000000 9.187251 0.000000\n-3.527305 0.000000 8.848101\nRb B N\n12 4 8\ndirect\n0.253256 0.046958 0.995544 Rb\n0.746744 0.546958 0.504456 Rb\n0.746744 0.953042 0.004456 Rb\n0.253256 0.453042 0.495544 Rb\n0.233324 0.461435 0.886208 Rb\n0.766675 0.961435 0.613792 Rb\n0.766675 0.538565 0.113792 Rb\n0.233324 0.038565 0.386208 Rb\n0.741677 0.295352 0.810626 Rb\n0.258323 0.795352 0.689374 Rb\n0.258323 0.704648 0.189374 Rb\n0.741677 0.204648 0.310626 Rb\n0.207505 0.174745 0.681225 B\n0.792495 0.674745 0.818775 B\n0.792495 0.825255 0.318775 B\n0.207505 0.325255 0.181225 B\n0.390138 0.099027 0.729213 N\n0.609862 0.599027 0.770787 N\n0.609862 0.900973 0.270787 N\n0.390138 0.400973 0.229213 N\n0.025427 0.251090 0.634049 N\n0.974573 0.751090 0.865951 N\n0.974573 0.748910 0.365951 N\n0.025427 0.248910 0.134049 N\n",
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{
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"structure_string": "Mg1 V8 O8 F8\n1.0\n-5.001650 0.148482 -0.005755\n-0.152108 4.429932 -9.503398\n0.146269 -4.641421 -3.269303\nMg V O F\n1 8 8 8\ndirect\n0.521949 0.646056 0.570034 Mg\n0.493877 0.261091 0.753438 V\n0.530898 0.004452 0.516296 V\n0.484422 0.781296 0.069679 V\n0.502637 0.483728 0.033762 V\n0.990519 0.230769 0.276919 V\n0.039007 0.776787 0.716361 V\n0.003397 0.497249 0.491553 V\n0.025213 0.006416 0.018338 V\n0.829269 0.069844 0.304952 O\n0.697565 0.819727 0.556807 O\n0.670039 0.571343 0.292966 O\n0.687721 0.319866 0.034860 O\n0.324981 0.439100 0.696878 O\n0.335589 0.652872 0.878583 O\n0.323680 0.178254 0.494059 O\n0.261454 0.917314 0.767527 O\n0.837082 0.568253 0.772540 F\n0.822550 0.320225 0.546152 F\n0.879778 0.818920 0.025066 F\n0.700042 0.081135 0.797557 F\n0.346526 0.933361 0.243828 F\n0.159736 0.683045 0.418558 F\n0.199541 0.189348 0.982025 F\n0.165859 0.424551 0.217449 F\n",
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},
{
"id": "mp-1096896",
"created_at": "2022-09-04T14:39:07.964069Z",
"structure_string": "Cr4 N8\n1.0\n5.964918 0.000000 0.000000\n0.000000 5.268246 0.000000\n0.000000 1.743673 5.300993\nCr N\n4 8\ndirect\n0.500000 0.015505 0.997225 Cr\n0.500000 0.538178 0.471069 Cr\n0.000000 0.945864 0.773019 Cr\n0.000000 0.523867 0.461923 Cr\n0.000000 0.289460 0.742671 N\n0.738638 0.458012 0.338273 N\n0.261362 0.458012 0.338273 N\n0.500000 0.910340 0.316738 N\n0.255860 0.871166 0.920238 N\n0.744140 0.871166 0.920238 N\n0.000000 0.833203 0.509839 N\n0.500000 0.357329 0.793472 N\n",
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"volume": 166.58187827009448,
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"formula_full": "Cr4 N8",
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{
"id": "mp-997163",
"created_at": "2022-09-04T14:39:07.964645Z",
"structure_string": "Mn1 Au1 O2\n1.0\n6.221677 -1.581038 0.000000\n6.221677 1.581038 0.000000\n5.819907 0.000000 2.708805\nMn Au O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n0.111864 0.111864 0.111864 O\n0.888136 0.888136 0.888136 O\n",
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"volume": 53.291446331586776,
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"updated_at": "2021-11-28T01:34:30.477000Z",
"spacegroup": 166
},
{
"id": "mp-20630",
"created_at": "2022-09-04T14:39:08.010505Z",
"structure_string": "Ho1 Mn6 Sn6\n1.0\n2.727695 -4.724506 0.000000\n2.727695 4.724506 0.000000\n0.000000 0.000000 8.993162\nHo Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.751432 Mn\n0.000000 0.500000 0.248568 Mn\n0.500000 0.500000 0.248568 Mn\n0.500000 0.000000 0.248568 Mn\n0.500000 0.500000 0.751432 Mn\n0.500000 0.000000 0.751432 Mn\n0.000000 0.000000 0.666559 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.333441 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Ho-Mn-Sn",
"density": 8.645626389303011,
"density_atomic": 0.05608525869705875,
"volume": 231.78996231824019,
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"formula_full": "Ho1 Mn6 Sn6",
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"formula_anonymous": "AB6C6",
"energy": -85.41056063,
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"spacegroup": 191
},
{
"id": "mp-1036918",
"created_at": "2022-09-04T14:39:08.010824Z",
"structure_string": "Hf1 Mg30 Ni1 O32\n1.0\n8.557810 0.000000 0.000000\n0.000000 8.557810 0.000000\n0.000000 0.000000 8.663110\nHf Mg Ni O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.253092 0.239559 Mg\n0.000000 0.253092 0.760441 Mg\n0.000000 0.746908 0.239559 Mg\n0.000000 0.746908 0.760441 Mg\n0.500000 0.250341 0.247695 Mg\n0.500000 0.250341 0.752305 Mg\n0.500000 0.749659 0.247695 Mg\n0.500000 0.749659 0.752305 Mg\n0.253092 0.000000 0.239559 Mg\n0.253092 0.000000 0.760441 Mg\n0.250341 0.500000 0.247695 Mg\n0.250341 0.500000 0.752305 Mg\n0.746908 0.000000 0.239559 Mg\n0.746908 0.000000 0.760441 Mg\n0.749659 0.500000 0.247695 Mg\n0.749659 0.500000 0.752305 Mg\n0.249039 0.249039 0.000000 Mg\n0.255967 0.255967 0.500000 Mg\n0.249039 0.750961 0.000000 Mg\n0.255967 0.744033 0.500000 Mg\n0.750961 0.249039 0.000000 Mg\n0.744033 0.255967 0.500000 Mg\n0.750961 0.750961 0.000000 Mg\n0.744033 0.744033 0.500000 Mg\n0.000000 0.000000 0.000000 Ni\n0.260689 0.000000 0.000000 O\n0.246292 0.000000 0.500000 O\n0.251248 0.500000 0.000000 O\n0.249169 0.500000 0.500000 O\n0.739311 0.000000 0.000000 O\n0.753708 0.000000 0.500000 O\n0.748752 0.500000 0.000000 O\n0.750831 0.500000 0.500000 O\n0.248788 0.248788 0.250776 O\n0.248788 0.248788 0.749224 O\n0.248788 0.751212 0.250776 O\n0.248788 0.751212 0.749224 O\n0.751212 0.248788 0.250776 O\n0.751212 0.248788 0.749224 O\n0.751212 0.751212 0.250776 O\n0.751212 0.751212 0.749224 O\n0.000000 0.000000 0.265353 O\n0.000000 0.000000 0.734647 O\n0.000000 0.500000 0.253621 O\n0.000000 0.500000 0.746379 O\n0.500000 0.000000 0.253621 O\n0.500000 0.000000 0.746379 O\n0.500000 0.500000 0.251581 O\n0.500000 0.500000 0.748419 O\n0.000000 0.260689 0.000000 O\n0.000000 0.246292 0.500000 O\n0.000000 0.739311 0.000000 O\n0.000000 0.753708 0.500000 O\n0.500000 0.251248 0.000000 O\n0.500000 0.249169 0.500000 O\n0.500000 0.748752 0.000000 O\n0.500000 0.750831 0.500000 O\n",
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{
"id": "mp-570946",
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"structure_string": "Na4 Li10 Sn8\n1.0\n24.266696 -2.487791 0.000000\n24.266696 2.487791 0.000000\n24.011651 0.000000 4.301426\nNa Li Sn\n4 10 8\ndirect\n0.242295 0.242295 0.242295 Na\n0.047235 0.047235 0.047235 Na\n0.952765 0.952765 0.952765 Na\n0.757705 0.757705 0.757705 Na\n0.520798 0.520798 0.520798 Li\n0.322502 0.322502 0.322502 Li\n0.200188 0.200188 0.200188 Li\n0.283711 0.283711 0.283711 Li\n0.677498 0.677498 0.677498 Li\n0.558724 0.558724 0.558724 Li\n0.799812 0.799812 0.799812 Li\n0.479202 0.479202 0.479202 Li\n0.441276 0.441276 0.441276 Li\n0.716289 0.716289 0.716289 Li\n0.361917 0.361917 0.361917 Sn\n0.839984 0.839984 0.839984 Sn\n0.638083 0.638083 0.638083 Sn\n0.880102 0.880102 0.880102 Sn\n0.400835 0.400835 0.400835 Sn\n0.119898 0.119898 0.119898 Sn\n0.160016 0.160016 0.160016 Sn\n0.599165 0.599165 0.599165 Sn\n",
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{
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{
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{
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