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{
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"results": [
{
"id": "mp-1182504",
"created_at": "2022-09-04T14:42:38.929637Z",
"structure_string": "Ce3 Si6 Pd20\n1.0\n6.625411 -2.519891 3.930079\n1.421368 4.742763 2.444440\n-2.160067 -3.258257 11.636681\nCe Si Pd\n3 6 20\ndirect\n0.409326 0.385848 0.234845 Ce\n0.000048 0.999897 0.999924 Ce\n0.590398 0.614021 0.765194 Ce\n0.203102 0.903788 0.224444 Si\n0.301150 0.439359 0.700370 Si\n0.405426 0.850744 0.599467 Si\n0.594765 0.149054 0.400303 Si\n0.698910 0.560460 0.299490 Si\n0.797005 0.096265 0.775772 Si\n0.654756 0.299599 0.963181 Pd\n0.884578 0.356491 0.592999 Pd\n0.099703 0.879368 0.750908 Pd\n0.303768 0.194881 0.060681 Pd\n0.115157 0.643692 0.407310 Pd\n0.900541 0.120487 0.248889 Pd\n0.269060 0.253565 0.541711 Pd\n0.730860 0.746146 0.458242 Pd\n0.410615 0.827456 0.403623 Pd\n0.646008 0.950896 0.172229 Pd\n0.345170 0.700734 0.036867 Pd\n0.016977 0.592932 0.214976 Pd\n0.902048 0.846969 0.613435 Pd\n0.178930 0.515055 0.913467 Pd\n0.696107 0.805267 0.939396 Pd\n0.354282 0.049081 0.827697 Pd\n0.821446 0.485048 0.086395 Pd\n0.589439 0.172563 0.596156 Pd\n0.983129 0.407030 0.785173 Pd\n0.097296 0.153302 0.386856 Pd\n",
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"elements": [
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"formula_full": "Ce3 Si6 Pd20",
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"spacegroup": 2
},
{
"id": "mp-673662",
"created_at": "2022-09-04T14:39:40.720049Z",
"structure_string": "Ce3 Si6 Pd20\n1.0\n-5.381634 0.000000 0.000000\n1.619977 8.926160 0.000000\n-0.267832 -4.375652 -10.861531\nCe Si Pd\n3 6 20\ndirect\n0.664159 0.618304 0.243603 Ce\n0.000000 0.000000 0.000000 Ce\n0.335841 0.381696 0.756397 Ce\n0.097594 0.395818 0.205825 Si\n0.624046 0.984406 0.708682 Si\n0.206751 0.971842 0.622870 Si\n0.793249 0.028158 0.377130 Si\n0.375954 0.015594 0.291318 Si\n0.902406 0.604182 0.794175 Si\n0.643138 0.620081 0.968507 Pd\n0.613431 0.479550 0.601516 Pd\n0.179944 0.835619 0.768770 Pd\n0.859261 0.381879 0.035467 Pd\n0.386569 0.520450 0.398484 Pd\n0.820056 0.164381 0.231230 Pd\n0.824821 0.768611 0.572450 Pd\n0.175179 0.231389 0.427550 Pd\n0.119638 0.880550 0.407471 Pd\n0.951277 0.857561 0.178868 Pd\n0.356862 0.379919 0.031493 Pd\n0.366633 0.213065 0.192029 Pd\n0.119020 0.519012 0.609799 Pd\n0.537553 0.099979 0.921431 Pd\n0.140739 0.618121 0.964533 Pd\n0.048723 0.142439 0.821132 Pd\n0.462447 0.900021 0.078569 Pd\n0.880362 0.119450 0.592529 Pd\n0.633367 0.786935 0.807971 Pd\n0.880980 0.480988 0.390201 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Si",
"Pd"
],
"chemical_system": "Ce-Pd-Si",
"density": 8.647898451509393,
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"volume": 521.758907085807,
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"formula_full": "Ce3 Si6 Pd20",
"formula_reduced": "Ce3(Si3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy": -166.64533573,
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"updated_at": "2021-11-28T01:34:27.522000Z",
"spacegroup": 2
},
{
"id": "mp-662609",
"created_at": "2022-09-04T14:45:26.171966Z",
"structure_string": "Ce3 Si6 Pd20\n1.0\n0.000000 6.266961 6.266961\n6.266961 0.000000 6.266961\n6.266961 6.266961 0.000000\nCe Si Pd\n3 6 20\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Ce\n0.252388 0.252388 0.747612 Si\n0.747612 0.252388 0.252388 Si\n0.747612 0.252388 0.747612 Si\n0.252388 0.747612 0.252388 Si\n0.252388 0.747612 0.747612 Si\n0.747612 0.747612 0.252388 Si\n0.848715 0.500000 0.500000 Pd\n0.876156 0.876156 0.876156 Pd\n0.123844 0.123844 0.123844 Pd\n0.628468 0.123844 0.123844 Pd\n0.151285 0.500000 0.500000 Pd\n0.500000 0.151285 0.848715 Pd\n0.371532 0.876156 0.876156 Pd\n0.500000 0.848715 0.500000 Pd\n0.500000 0.151285 0.500000 Pd\n0.123844 0.628468 0.123844 Pd\n0.151285 0.848715 0.500000 Pd\n0.123844 0.123844 0.628468 Pd\n0.151285 0.500000 0.848715 Pd\n0.500000 0.848715 0.151285 Pd\n0.500000 0.500000 0.151285 Pd\n0.500000 0.500000 0.848715 Pd\n0.876156 0.371532 0.876156 Pd\n0.848715 0.151285 0.500000 Pd\n0.876156 0.876156 0.371532 Pd\n0.848715 0.500000 0.151285 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Si",
"Pd"
],
"chemical_system": "Ce-Pd-Si",
"density": 9.16599215497771,
"density_atomic": 0.05891108562853566,
"volume": 492.26728196556655,
"volume_molar": 10.222423667376729,
"formula_full": "Ce3 Si6 Pd20",
"formula_reduced": "Ce3(Si3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy": -171.22499201,
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"updated_at": "2021-11-28T01:37:01.552000Z",
"spacegroup": 225
},
{
"id": "mp-1226902",
"created_at": "2022-09-04T14:39:39.758196Z",
"structure_string": "Ce3 Si3 Pt1\n1.0\n-4.094732 0.000000 0.000000\n0.000000 -4.186401 0.000000\n-2.047366 -2.093201 9.135068\nCe Si Pt\n3 3 1\ndirect\n0.000520 0.000520 0.998961 Ce\n0.685081 0.185081 0.629838 Ce\n0.314704 0.814704 0.370593 Ce\n0.859318 0.359318 0.281365 Si\n0.140181 0.640181 0.719637 Si\n0.565366 0.565366 0.869268 Si\n0.434831 0.434831 0.130339 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Si",
"Pt"
],
"chemical_system": "Ce-Pt-Si",
"density": 7.419518823024436,
"density_atomic": 0.04470127880823327,
"volume": 156.5950725935543,
"volume_molar": 13.471965278297178,
"formula_full": "Ce3 Si3 Pt1",
"formula_reduced": "Ce3Si3Pt",
"formula_anonymous": "AB3C3",
"energy": -45.77455434,
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"updated_at": "2021-11-28T01:34:25.635000Z",
"spacegroup": 44
},
{
"id": "mp-504613",
"created_at": "2022-09-04T14:47:58.012547Z",
"structure_string": "Ce3 Si8 Ni2\n1.0\n2.046645 -13.008181 0.000000\n2.046645 13.008181 0.000000\n0.000000 0.000000 4.193679\nCe Si Ni\n3 8 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.687900 0.312100 0.500000 Ce\n0.312100 0.687900 0.500000 Ce\n0.595244 0.404756 0.000000 Si\n0.404756 0.595244 0.000000 Si\n0.775674 0.224326 0.000000 Si\n0.224326 0.775674 0.000000 Si\n0.902862 0.097138 0.500000 Si\n0.097138 0.902862 0.500000 Si\n0.545265 0.454735 0.500000 Si\n0.454735 0.545265 0.500000 Si\n0.866005 0.133995 0.000000 Ni\n0.133995 0.866005 0.000000 Ni\n",
"nsites": 13,
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"elements": [
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"Si",
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],
"chemical_system": "Ce-Ni-Si",
"density": 5.669678380062436,
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"volume": 223.2977106712621,
"volume_molar": 10.344078808062264,
"formula_full": "Ce3 Si8 Ni2",
"formula_reduced": "Ce3(Si4Ni)2",
"formula_anonymous": "A2B3C8",
"energy": -80.3940867,
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"updated_at": "2021-11-28T01:38:19.681000Z",
"spacegroup": 65
},
{
"id": "mp-541712",
"created_at": "2022-09-04T14:45:38.849689Z",
"structure_string": "Ce6 Si12 N22\n1.0\n10.157384 0.000000 0.000000\n0.000000 10.157384 0.000000\n0.000000 0.000000 4.885403\nCe Si N\n6 12 22\ndirect\n0.181132 0.318868 0.644026 Ce\n0.318868 0.818868 0.644026 Ce\n0.681132 0.181132 0.644026 Ce\n0.818868 0.681132 0.644026 Ce\n0.000000 0.000000 0.654206 Ce\n0.500000 0.500000 0.654206 Ce\n0.209032 0.078816 0.114806 Si\n0.078816 0.790968 0.114806 Si\n0.921184 0.209032 0.114806 Si\n0.790968 0.921184 0.114806 Si\n0.709032 0.421184 0.114806 Si\n0.290968 0.578816 0.114806 Si\n0.421184 0.290968 0.114806 Si\n0.578816 0.709032 0.114806 Si\n0.117235 0.617235 0.604123 Si\n0.617235 0.882765 0.604123 Si\n0.382765 0.117235 0.604123 Si\n0.882765 0.382765 0.604123 Si\n0.229683 0.075332 0.468169 N\n0.075332 0.770317 0.468169 N\n0.924668 0.229683 0.468169 N\n0.770317 0.924668 0.468169 N\n0.729683 0.424668 0.468169 N\n0.270317 0.575332 0.468169 N\n0.424668 0.270317 0.468169 N\n0.575332 0.729683 0.468169 N\n0.153370 0.653370 0.950898 N\n0.653370 0.846630 0.950898 N\n0.346630 0.153370 0.950898 N\n0.846630 0.346630 0.950898 N\n0.178999 0.920286 0.001895 N\n0.920286 0.821001 0.001895 N\n0.079714 0.178999 0.001895 N\n0.821001 0.079714 0.001895 N\n0.678999 0.579714 0.001895 N\n0.321001 0.420286 0.001895 N\n0.579714 0.321001 0.001895 N\n0.420286 0.678999 0.001895 N\n0.000000 0.500000 0.575989 N\n0.500000 0.000000 0.575989 N\n",
"nsites": 40,
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"elements": [
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"N"
],
"chemical_system": "Ce-N-Si",
"density": 4.8951454333914235,
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"formula_full": "Ce6 Si12 N22",
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"spacegroup": 100
},
{
"id": "mp-866605",
"created_at": "2022-09-04T14:47:40.826668Z",
"structure_string": "Ce6 Si2 Ag2 S14\n1.0\n5.164812 -8.945717 0.000000\n5.164812 8.945717 0.000000\n0.000000 0.000000 5.773411\nCe Si Ag S\n6 2 2 14\ndirect\n0.124005 0.359057 0.247805 Ce\n0.875995 0.640943 0.747805 Ce\n0.640943 0.764948 0.247805 Ce\n0.235052 0.875995 0.247805 Ce\n0.764948 0.124005 0.747805 Ce\n0.359057 0.235052 0.747805 Ce\n0.333333 0.666667 0.660725 Si\n0.666667 0.333333 0.160725 Si\n0.000000 0.000000 0.308365 Ag\n0.000000 0.000000 0.808365 Ag\n0.333333 0.666667 0.027692 S\n0.666667 0.333333 0.527692 S\n0.409698 0.525002 0.516467 S\n0.590302 0.474998 0.016467 S\n0.474998 0.884696 0.516467 S\n0.115304 0.590302 0.516467 S\n0.884696 0.409698 0.016467 S\n0.525002 0.115304 0.016467 S\n0.090745 0.266936 0.762271 S\n0.909255 0.733064 0.262271 S\n0.733064 0.823809 0.762271 S\n0.176191 0.909255 0.762271 S\n0.823809 0.090745 0.262271 S\n0.266936 0.176191 0.262271 S\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.860295438228026,
"density_atomic": 0.044986178061836565,
"volume": 533.4971992288469,
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"formula_full": "Ce6 Si2 Ag2 S14",
"formula_reduced": "Ce3SiAgS7",
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"updated_at": "2021-11-28T01:38:20.301000Z",
"spacegroup": 173
},
{
"id": "mp-18071",
"created_at": "2022-09-04T14:43:20.999335Z",
"structure_string": "Ce6 Si2 Ag2 Se14\n1.0\n5.396164 -9.346430 0.000000\n5.396164 9.346430 0.000000\n0.000000 0.000000 6.065071\nCe Si Ag Se\n6 2 2 14\ndirect\n0.125558 0.356900 0.740076 Ce\n0.768658 0.125558 0.240076 Ce\n0.356900 0.231342 0.240076 Ce\n0.643100 0.768658 0.740076 Ce\n0.231342 0.874442 0.740076 Ce\n0.874442 0.643100 0.240076 Ce\n0.333333 0.666667 0.330951 Si\n0.666667 0.333333 0.830951 Si\n0.000000 0.000000 0.184995 Ag\n0.000000 0.000000 0.684995 Ag\n0.522349 0.108593 0.980086 Se\n0.477651 0.891407 0.480086 Se\n0.108593 0.586245 0.480086 Se\n0.586245 0.477651 0.980086 Se\n0.093969 0.269569 0.226714 Se\n0.824400 0.093969 0.726714 Se\n0.413755 0.522349 0.480086 Se\n0.891407 0.413755 0.980086 Se\n0.333333 0.666667 0.956137 Se\n0.666667 0.333333 0.456137 Se\n0.906031 0.730431 0.726714 Se\n0.175600 0.906031 0.226714 Se\n0.730431 0.824400 0.226714 Se\n0.269569 0.175600 0.726714 Se\n",
"nsites": 24,
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"elements": [
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"density": 6.020358512321202,
"density_atomic": 0.039229652295595205,
"volume": 611.7821238679389,
"volume_molar": 15.350991934935351,
"formula_full": "Ce6 Si2 Ag2 Se14",
"formula_reduced": "Ce3SiAgSe7",
"formula_anonymous": "ABC3D7",
"energy": -138.49200195,
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"updated_at": "2021-11-28T01:36:12.423000Z",
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{
"id": "mp-1229323",
"created_at": "2022-09-04T14:44:51.595390Z",
"structure_string": "Ce12 Si4 Cl20 O16\n1.0\n0.000000 4.237811 0.000000\n0.000000 0.000000 14.264844\n16.259559 0.000000 0.000000\nCe Si Cl O\n12 4 20 16\ndirect\n0.237109 0.915494 0.626101 Ce\n0.237109 0.584506 0.126101 Ce\n0.737109 0.084506 0.373899 Ce\n0.737109 0.415494 0.873899 Ce\n0.238223 0.066089 0.873149 Ce\n0.238223 0.433911 0.373149 Ce\n0.738223 0.933911 0.126851 Ce\n0.738223 0.566089 0.626851 Ce\n0.237026 0.746659 0.867266 Ce\n0.237026 0.753341 0.367266 Ce\n0.737026 0.253341 0.132734 Ce\n0.737026 0.246659 0.632734 Ce\n0.168798 0.408151 0.709498 Si\n0.668798 0.591849 0.290502 Si\n0.668798 0.908151 0.790502 Si\n0.168798 0.091849 0.209498 Si\n0.251399 0.287312 0.980169 Cl\n0.251399 0.212688 0.480169 Cl\n0.751399 0.712688 0.019831 Cl\n0.751399 0.787312 0.519831 Cl\n0.248045 0.903597 0.987849 Cl\n0.248045 0.596403 0.487849 Cl\n0.748045 0.096403 0.012151 Cl\n0.748045 0.403597 0.512151 Cl\n0.248272 0.720408 0.679094 Cl\n0.248272 0.779592 0.179094 Cl\n0.748272 0.279592 0.320906 Cl\n0.748272 0.220408 0.820906 Cl\n0.248170 0.103800 0.699635 Cl\n0.248170 0.396200 0.199635 Cl\n0.748170 0.896200 0.300365 Cl\n0.748170 0.603800 0.800365 Cl\n0.247777 0.553724 0.943882 Cl\n0.247777 0.946276 0.443882 Cl\n0.747777 0.446277 0.056118 Cl\n0.747777 0.053724 0.556118 Cl\n0.249173 0.408798 0.808441 O\n0.249173 0.091202 0.308441 O\n0.749173 0.591202 0.191559 O\n0.749173 0.908798 0.691559 O\n0.249726 0.504860 0.658473 O\n0.249726 0.995140 0.158473 O\n0.749726 0.495140 0.341527 O\n0.749726 0.004860 0.841527 O\n0.248390 0.310109 0.660350 O\n0.248390 0.189891 0.160350 O\n0.748390 0.689891 0.339650 O\n0.748390 0.810109 0.839650 O\n0.275893 0.908624 0.791916 O\n0.275893 0.591376 0.291916 O\n0.775893 0.091376 0.208084 O\n0.775893 0.408624 0.708084 O\n",
"nsites": 52,
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"elements": [
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