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{
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"results": [
{
"id": "mp-1521488",
"created_at": "2022-09-04T14:47:29.393097Z",
"structure_string": "Na1 Co4 Bi1 O12\n1.0\n0.000000 -3.552251 -3.888417\n0.000000 -3.552251 3.888417\n-7.247267 0.000000 0.000000\nNa Co Bi O\n1 4 1 12\ndirect\n0.012249 0.987751 0.500000 Na\n0.501955 0.010263 0.254739 Co\n0.501955 0.010263 0.745261 Co\n0.989737 0.498045 0.745261 Co\n0.989737 0.498045 0.254739 Co\n0.487933 0.512067 -0.000000 Bi\n0.296963 0.294617 0.230034 O\n0.705383 0.703037 0.230034 O\n0.705383 0.703037 0.769966 O\n0.296963 0.294617 0.769966 O\n0.236008 0.763992 0.176681 O\n0.787247 0.212753 0.311584 O\n0.787247 0.212753 0.688415 O\n0.236008 0.763992 0.823319 O\n0.568401 0.081234 -0.000000 O\n0.434759 0.961895 0.500000 O\n0.918766 0.431599 -0.000000 O\n0.038105 0.565241 0.500000 O\n",
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{
"id": "mp-1245948",
"created_at": "2022-09-04T14:41:26.168171Z",
"structure_string": "Ca12 Mn48 N48\n1.0\n10.630268 0.000000 0.000000\n0.000000 10.630268 0.000000\n-0.000000 0.000000 10.630268\nCa Mn N\n12 48 48\ndirect\n0.281653 0.718347 0.218347 Ca\n0.718347 0.218347 0.281653 Ca\n0.218347 0.281653 0.718347 Ca\n0.781653 0.781653 0.781653 Ca\n0.718347 0.281653 0.781653 Ca\n0.281653 0.781653 0.718347 Ca\n0.781653 0.718347 0.281653 Ca\n0.218347 0.218347 0.218347 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n-0.000000 -0.000000 0.500000 Ca\n-0.000000 0.500000 -0.000000 Ca\n0.395061 0.724209 0.966064 Mn\n0.604939 0.224209 0.533936 Mn\n0.104939 0.275791 0.466064 Mn\n0.895061 0.775791 0.033936 Mn\n0.966064 0.395061 0.724209 Mn\n0.533936 0.604939 0.224209 Mn\n0.466064 0.104939 0.275791 Mn\n0.033936 0.895061 0.775791 Mn\n0.724209 0.966064 0.395061 Mn\n0.224209 0.533936 0.604939 Mn\n0.275791 0.466064 0.104939 Mn\n0.775791 0.033936 0.895061 Mn\n0.604939 0.275791 0.033936 Mn\n0.395061 0.775791 0.466064 Mn\n0.895061 0.724209 0.533936 Mn\n0.104939 0.224209 0.966064 Mn\n0.033936 0.604939 0.275791 Mn\n0.466064 0.395061 0.775791 Mn\n0.533936 0.895061 0.724209 Mn\n0.966064 0.104939 0.224209 Mn\n0.275791 0.033936 0.604939 Mn\n0.775791 0.466064 0.395061 Mn\n0.724209 0.533936 0.895061 Mn\n0.224209 0.966064 0.104939 Mn\n0.259066 0.980752 0.362520 Mn\n0.740934 0.480752 0.137480 Mn\n0.240934 0.019248 0.862520 Mn\n0.759066 0.519248 0.637480 Mn\n0.362520 0.259066 0.980752 Mn\n0.137480 0.740934 0.480752 Mn\n0.862520 0.240934 0.019248 Mn\n0.637480 0.759066 0.519248 Mn\n0.980752 0.362520 0.259066 Mn\n0.480752 0.137480 0.740934 Mn\n0.019248 0.862520 0.240934 Mn\n0.519248 0.637480 0.759066 Mn\n0.740934 0.019248 0.637480 Mn\n0.259066 0.519248 0.862520 Mn\n0.759066 0.980752 0.137480 Mn\n0.240934 0.480752 0.362520 Mn\n0.637480 0.740934 0.019248 Mn\n0.862520 0.259066 0.519248 Mn\n0.137480 0.759066 0.980752 Mn\n0.362520 0.240934 0.480752 Mn\n0.019248 0.637480 0.740934 Mn\n0.519248 0.862520 0.259066 Mn\n0.980752 0.137480 0.759066 Mn\n0.480752 0.362520 0.240934 Mn\n0.489906 0.750012 0.118258 N\n0.510094 0.250012 0.381742 N\n0.010094 0.249988 0.618258 N\n0.989906 0.749988 0.881742 N\n0.118258 0.489906 0.750012 N\n0.381742 0.510094 0.250012 N\n0.618258 0.010094 0.249988 N\n0.881742 0.989906 0.749988 N\n0.750012 0.118258 0.489906 N\n0.250012 0.381742 0.510094 N\n0.249988 0.618258 0.010094 N\n0.749988 0.881742 0.989906 N\n0.510094 0.249988 0.881742 N\n0.489906 0.749988 0.618258 N\n0.989906 0.750012 0.381742 N\n0.010094 0.250012 0.118258 N\n0.881742 0.510094 0.249988 N\n0.618258 0.489906 0.749988 N\n0.381742 0.989906 0.750012 N\n0.118258 0.010094 0.250012 N\n0.249988 0.881742 0.510094 N\n0.749988 0.618258 0.489906 N\n0.750012 0.381742 0.989906 N\n0.250012 0.118258 0.010094 N\n0.042029 0.723503 0.132076 N\n0.957971 0.223503 0.367924 N\n0.457971 0.276497 0.632076 N\n0.542029 0.776497 0.867924 N\n0.132076 0.042029 0.723503 N\n0.367924 0.957971 0.223503 N\n0.632076 0.457971 0.276497 N\n0.867924 0.542029 0.776497 N\n0.723503 0.132076 0.042029 N\n0.223503 0.367924 0.957971 N\n0.276497 0.632076 0.457971 N\n0.776497 0.867924 0.542029 N\n0.957971 0.276497 0.867924 N\n0.042029 0.776497 0.632076 N\n0.542029 0.723503 0.367924 N\n0.457971 0.223503 0.132076 N\n0.867924 0.957971 0.276497 N\n0.632076 0.042029 0.776497 N\n0.367924 0.542029 0.723503 N\n0.132076 0.457971 0.223503 N\n0.276497 0.867924 0.957971 N\n0.776497 0.632076 0.042029 N\n0.723503 0.367924 0.542029 N\n0.223503 0.132076 0.457971 N\n",
"nsites": 108,
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"elements": [
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],
"chemical_system": "Ca-Mn-N",
"density": 5.2394799302266755,
"density_atomic": 0.08990650481724867,
"volume": 1201.2478987980865,
"volume_molar": 6.698225865015104,
"formula_full": "Ca12 Mn48 N48",
"formula_reduced": "Ca(MnN)4",
"formula_anonymous": "AB4C4",
"energy": -927.76116199,
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"updated_at": "2021-11-28T01:35:23.324000Z",
"spacegroup": 205
},
{
"id": "mp-1207898",
"created_at": "2022-09-04T14:40:00.868559Z",
"structure_string": "V6 Fe4 O16\n1.0\n2.967821 -5.140416 0.000000\n2.967821 5.140416 0.000000\n0.000000 0.000000 9.478071\nV Fe O\n6 4 16\ndirect\n0.840164 0.680329 0.641901 V\n0.840164 0.159836 0.641901 V\n0.159836 0.319671 0.141901 V\n0.319671 0.159836 0.641901 V\n0.159836 0.840164 0.141901 V\n0.680329 0.840164 0.141901 V\n0.666667 0.333333 0.956109 Fe\n0.333333 0.666667 0.456109 Fe\n0.666667 0.333333 0.354083 Fe\n0.333333 0.666667 0.854083 Fe\n0.513341 0.026682 0.511441 O\n0.513341 0.486659 0.511441 O\n0.486659 0.973318 0.011441 O\n0.973318 0.486659 0.511441 O\n0.486659 0.513341 0.011441 O\n0.026682 0.513341 0.011441 O\n0.166119 0.332237 0.752013 O\n0.166119 0.833881 0.752013 O\n0.833881 0.667763 0.252013 O\n0.667763 0.833881 0.752013 O\n0.833881 0.166119 0.252013 O\n0.332237 0.166119 0.252013 O\n0.000000 0.000000 0.029454 O\n0.000000 0.000000 0.529454 O\n0.666667 0.333333 0.752891 O\n0.333333 0.666667 0.252891 O\n",
"nsites": 26,
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"elements": [
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"Fe",
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],
"chemical_system": "Fe-O-V",
"density": 4.507581246880779,
"density_atomic": 0.08990574091494591,
"volume": 289.191766125335,
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"formula_full": "V6 Fe4 O16",
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"energy": -222.65965695,
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"updated_at": "2021-11-28T01:34:45.613000Z",
"spacegroup": 186
},
{
"id": "mp-505628",
"created_at": "2022-09-04T14:40:39.321859Z",
"structure_string": "Cr3 Ir1 N1\n1.0\n3.817087 0.000000 0.000000\n0.000000 3.817087 0.000000\n0.000000 0.000000 3.817087\nCr Ir N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 10.814731857432466,
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"formula_full": "Cr3 Ir1 N1",
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{
"id": "mp-558339",
"created_at": "2022-09-04T14:47:17.490547Z",
"structure_string": "Mg8 Fe8 Si16 O48\n1.0\n5.304194 0.000000 0.000000\n0.000000 9.051672 0.000000\n0.000000 0.000000 18.534018\nMg Fe Si O\n8 8 16 48\ndirect\n0.617033 0.153830 0.375308 Mg\n0.382967 0.846170 0.624692 Mg\n0.617033 0.653830 0.124692 Mg\n0.117033 0.846170 0.124692 Mg\n0.882967 0.153830 0.875308 Mg\n0.382967 0.346170 0.875308 Mg\n0.117033 0.346170 0.375308 Mg\n0.882967 0.653830 0.624692 Mg\n0.377130 0.986414 0.876991 Fe\n0.622870 0.013586 0.123009 Fe\n0.877130 0.013586 0.623009 Fe\n0.122870 0.986414 0.376991 Fe\n0.377130 0.486414 0.623009 Fe\n0.622870 0.513586 0.376991 Fe\n0.877130 0.513586 0.876991 Fe\n0.122870 0.486414 0.123009 Fe\n0.562163 0.660488 0.771893 Si\n0.710505 0.836063 0.474713 Si\n0.789495 0.836063 0.974713 Si\n0.937837 0.160488 0.228107 Si\n0.062163 0.339512 0.728107 Si\n0.437837 0.839512 0.271893 Si\n0.210505 0.663937 0.474713 Si\n0.710505 0.336063 0.025287 Si\n0.789495 0.336063 0.525287 Si\n0.937837 0.660488 0.271893 Si\n0.437837 0.339512 0.228107 Si\n0.562163 0.160488 0.728107 Si\n0.289495 0.163937 0.525287 Si\n0.062163 0.839512 0.771893 Si\n0.289495 0.663937 0.974713 Si\n0.210505 0.163937 0.025287 Si\n0.936279 0.501372 0.311715 O\n0.296847 0.013974 0.065942 O\n0.063721 0.498628 0.688285 O\n0.709627 0.335675 0.936954 O\n0.209627 0.164325 0.936954 O\n0.917304 0.206410 0.051962 O\n0.944267 0.663901 0.183964 O\n0.055733 0.836099 0.683964 O\n0.709627 0.835675 0.563046 O\n0.944267 0.163901 0.316036 O\n0.436279 0.498628 0.188285 O\n0.790373 0.335675 0.436954 O\n0.703153 0.986026 0.934058 O\n0.444267 0.836099 0.183964 O\n0.563721 0.001372 0.688285 O\n0.296847 0.513974 0.434058 O\n0.436279 0.998628 0.311715 O\n0.167468 0.767779 0.302550 O\n0.332532 0.767779 0.802550 O\n0.582696 0.706410 0.948038 O\n0.790373 0.835675 0.063046 O\n0.555733 0.663901 0.683964 O\n0.796847 0.486026 0.065942 O\n0.167468 0.267779 0.197450 O\n0.290373 0.164325 0.436954 O\n0.555733 0.163901 0.816036 O\n0.703153 0.486026 0.565942 O\n0.209627 0.664325 0.563046 O\n0.203153 0.513974 0.934058 O\n0.667468 0.732221 0.302550 O\n0.063721 0.998628 0.811715 O\n0.832532 0.732221 0.802550 O\n0.832532 0.232221 0.697450 O\n0.796847 0.986026 0.434058 O\n0.290373 0.664325 0.063046 O\n0.203153 0.013974 0.565942 O\n0.332532 0.267779 0.697450 O\n0.082696 0.793590 0.948038 O\n0.417304 0.793590 0.448038 O\n0.667468 0.232221 0.197450 O\n0.417304 0.293590 0.051962 O\n0.582696 0.206410 0.551962 O\n0.082696 0.293590 0.551962 O\n0.444267 0.336099 0.316036 O\n0.563721 0.501372 0.811715 O\n0.917304 0.706410 0.448038 O\n0.055733 0.336099 0.816036 O\n0.936279 0.001372 0.188285 O\n",
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"density_atomic": 0.08990258892480593,
"volume": 889.8520160182661,
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"formula_full": "Mg8 Fe8 Si16 O48",
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"energy": -637.90175777,
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"spacegroup": 61
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{
"id": "mp-755256",
"created_at": "2022-09-04T14:40:28.259618Z",
"structure_string": "Li1 Bi1 B2 O5\n1.0\n4.330781 3.029094 0.000000\n-4.330781 3.029094 0.000000\n0.000000 0.450896 3.815598\nLi Bi B O\n1 1 2 5\ndirect\n0.398748 0.601252 0.500000 Li\n0.012587 0.987413 0.000000 Bi\n0.875671 0.489582 0.629298 B\n0.510418 0.124329 0.370702 B\n0.788218 0.700027 0.532234 O\n0.471368 0.928908 0.148109 O\n0.764796 0.235204 0.500000 O\n0.071092 0.528632 0.851891 O\n0.299973 0.211782 0.467766 O\n",
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{
"id": "mp-752754",
"created_at": "2022-09-04T14:41:23.603238Z",
"structure_string": "Hf8 N8 O4\n1.0\n3.092002 0.000000 0.000000\n0.000000 5.884800 0.000000\n0.000000 0.000000 12.226198\nHf N O\n8 8 4\ndirect\n0.250000 0.145542 0.206365 Hf\n0.750000 0.255152 0.455946 Hf\n0.250000 0.244848 0.955946 Hf\n0.750000 0.354458 0.706365 Hf\n0.250000 0.645542 0.293635 Hf\n0.750000 0.755152 0.044054 Hf\n0.250000 0.744848 0.544054 Hf\n0.750000 0.854458 0.793635 Hf\n0.750000 0.136469 0.067529 N\n0.250000 0.147327 0.780788 N\n0.750000 0.352673 0.280788 N\n0.250000 0.363531 0.567529 N\n0.750000 0.636469 0.432471 N\n0.250000 0.647327 0.719212 N\n0.750000 0.852673 0.219212 N\n0.250000 0.863531 0.932471 N\n0.250000 0.029726 0.398854 O\n0.750000 0.470274 0.898854 O\n0.250000 0.529726 0.101146 O\n0.750000 0.970274 0.601146 O\n",
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{
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