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{
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"results": [
{
"id": "mp-16571",
"created_at": "2022-09-04T14:42:23.391265Z",
"structure_string": "Ca28 Ge24\n1.0\n7.440578 0.000000 0.000000\n0.000000 8.110373 0.000000\n0.000000 0.000000 22.458289\nCa Ge\n28 24\ndirect\n0.016038 0.178629 0.162787 Ca\n0.516038 0.321371 0.337213 Ca\n0.483962 0.678629 0.837213 Ca\n0.983962 0.821371 0.662787 Ca\n0.983962 0.821371 0.837213 Ca\n0.483962 0.678629 0.662787 Ca\n0.516038 0.321371 0.162787 Ca\n0.016038 0.178629 0.337213 Ca\n0.852258 0.682158 0.143734 Ca\n0.352258 0.817842 0.356266 Ca\n0.647742 0.182158 0.856266 Ca\n0.147742 0.317842 0.643734 Ca\n0.147742 0.317842 0.856266 Ca\n0.647742 0.182158 0.643734 Ca\n0.352258 0.817842 0.143734 Ca\n0.852258 0.682158 0.356266 Ca\n0.665712 0.821818 0.518729 Ca\n0.165712 0.678182 0.981271 Ca\n0.834288 0.321818 0.481271 Ca\n0.334288 0.178182 0.018729 Ca\n0.334288 0.178182 0.481271 Ca\n0.834288 0.321818 0.018729 Ca\n0.165712 0.678182 0.518729 Ca\n0.665712 0.821818 0.981271 Ca\n0.684526 0.982863 0.250000 Ca\n0.184526 0.517137 0.250000 Ca\n0.815474 0.482863 0.750000 Ca\n0.315474 0.017137 0.750000 Ca\n0.996894 0.958052 0.054804 Ge\n0.496894 0.541948 0.445196 Ge\n0.503106 0.458052 0.945196 Ge\n0.003106 0.041948 0.554804 Ge\n0.003106 0.041948 0.945196 Ge\n0.503106 0.458052 0.554804 Ge\n0.496894 0.541948 0.054804 Ge\n0.996894 0.958052 0.445196 Ge\n0.817181 0.526895 0.597876 Ge\n0.317181 0.973105 0.902124 Ge\n0.682819 0.026895 0.402124 Ge\n0.182819 0.473105 0.097876 Ge\n0.182819 0.473105 0.402124 Ge\n0.682819 0.026895 0.097876 Ge\n0.317181 0.973105 0.597876 Ge\n0.817181 0.526895 0.902124 Ge\n0.809307 0.395309 0.250000 Ge\n0.309307 0.104691 0.250000 Ge\n0.690693 0.895309 0.750000 Ge\n0.190693 0.604691 0.750000 Ge\n0.575004 0.624217 0.250000 Ge\n0.075004 0.875783 0.250000 Ge\n0.924996 0.124217 0.750000 Ge\n0.424996 0.375783 0.750000 Ge\n",
"nsites": 52,
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"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 3.5110095504168157,
"density_atomic": 0.03836888471928204,
"volume": 1355.2648293127927,
"volume_molar": 15.695376094613485,
"formula_full": "Ca28 Ge24",
"formula_reduced": "Ca7Ge6",
"formula_anonymous": "A6B7",
"energy": -197.69038823,
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"updated_at": "2021-11-28T01:35:44.227000Z",
"spacegroup": 62
},
{
"id": "mp-1247909",
"created_at": "2022-09-04T14:42:23.391348Z",
"structure_string": "Ba10 Pr5 Sn2 Sb3 O30\n1.0\n15.500175 0.120468 26.696979\n6.204939 5.116558 14.221842\n0.007232 0.045161 10.674619\nBa Pr Sn Sb O\n10 5 2 3 30\ndirect\n0.100460 0.249509 0.249589 Ba\n0.299811 0.250375 0.249346 Ba\n0.100189 0.749625 0.750654 Ba\n0.499806 0.249046 0.251619 Ba\n0.299540 0.750491 0.750411 Ba\n0.700068 0.251542 0.248040 Ba\n0.499721 0.750990 0.750586 Ba\n0.900279 0.249010 0.249414 Ba\n0.699932 0.748458 0.751960 Ba\n0.900194 0.750954 0.748381 Ba\n0.998456 0.502168 0.501173 Pr\n0.200000 0.500000 0.500000 Pr\n0.401544 0.497832 0.498827 Pr\n0.599117 0.500791 0.501750 Pr\n0.800883 0.499209 0.498250 Pr\n0.999397 0.000768 0.000721 Sn\n0.400603 0.999232 0.999279 Sn\n0.200000 0.000000 0.000000 Sb\n0.599849 0.000273 0.000102 Sb\n0.800151 0.999727 0.999898 Sb\n0.023768 0.194624 0.263386 O\n0.217890 0.200857 0.272923 O\n0.094394 0.228707 0.805931 O\n0.022558 0.726531 0.235317 O\n0.178868 0.264966 0.770668 O\n0.108849 0.763882 0.200771 O\n0.423203 0.195003 0.264917 O\n0.291151 0.236118 0.799229 O\n0.221132 0.735034 0.229332 O\n0.377442 0.273469 0.764683 O\n0.305606 0.771293 0.194069 O\n0.182110 0.799143 0.727077 O\n0.623911 0.194518 0.263179 O\n0.494643 0.228284 0.805748 O\n0.421373 0.728221 0.236069 O\n0.578710 0.264975 0.771570 O\n0.509502 0.762827 0.201106 O\n0.376232 0.805376 0.736614 O\n0.817313 0.201191 0.273991 O\n0.694925 0.228079 0.805330 O\n0.621077 0.734962 0.229920 O\n0.778923 0.265038 0.770080 O\n0.705075 0.771921 0.194670 O\n0.582687 0.798809 0.726009 O\n0.890498 0.237173 0.798894 O\n0.821290 0.735025 0.228430 O\n0.978627 0.271779 0.763931 O\n0.905357 0.771716 0.194252 O\n0.776089 0.805482 0.736821 O\n0.976797 0.804997 0.735083 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
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"Pr",
"Sn",
"Sb",
"O"
],
"chemical_system": "Ba-O-Pr-Sb-Sn",
"density": 6.28405066203809,
"density_atomic": 0.059869568720932534,
"volume": 835.1488254920102,
"volume_molar": 10.058767565323125,
"formula_full": "Ba10 Pr5 Sn2 Sb3 O30",
"formula_reduced": "Ba10Pr5Sn2(SbO10)3",
"formula_anonymous": "A2B3C5D10E30",
"energy": -357.84178754000004,
"energy_per_atom": -7.156835750800001,
"energy_above_hull": null,
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"energy_uncorrected": -337.23178754,
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"updated_at": "2021-11-28T01:35:41.682000Z",
"spacegroup": 2
},
{
"id": "mp-1104191",
"created_at": "2022-09-04T14:42:23.567548Z",
"structure_string": "Sm1 Mn4 Co8\n1.0\n0.000000 0.000000 4.558190\n-4.210793 4.210793 2.279095\n-4.210793 -4.210793 2.279095\nSm Mn Co\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.359540 0.640460 Co\n0.000000 0.640460 0.359540 Co\n0.640460 0.359540 0.359540 Co\n0.359540 0.640460 0.640460 Co\n0.500000 0.769767 0.230233 Co\n0.500000 0.230233 0.769767 Co\n0.730233 0.769767 0.769767 Co\n0.269767 0.230233 0.230233 Co\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"Co"
],
"chemical_system": "Co-Mn-Sm",
"density": 8.645560075639109,
"density_atomic": 0.0804253849029867,
"volume": 161.64050710706923,
"volume_molar": 7.487860663973471,
"formula_full": "Sm1 Mn4 Co8",
"formula_reduced": "Sm(MnCo2)4",
"formula_anonymous": "AB4C8",
"energy": -97.93028697,
"energy_per_atom": -7.533098997692307,
"energy_above_hull": null,
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"total_magnetization": 15.6851563,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.989000Z",
"spacegroup": 139
},
{
"id": "mp-1190248",
"created_at": "2022-09-04T14:42:23.278300Z",
"structure_string": "Sm4 Al6 Ge8\n1.0\n3.032101 -7.485893 0.000000\n3.032101 7.485893 0.000000\n0.000000 0.000000 7.967984\nSm Al Ge\n4 6 8\ndirect\n0.113931 0.886069 0.417388 Sm\n0.886069 0.113931 0.582612 Sm\n0.386069 0.613931 0.917388 Sm\n0.613931 0.386069 0.082612 Sm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.033292 0.466708 0.250000 Al\n0.466708 0.033292 0.750000 Al\n0.966708 0.533292 0.750000 Al\n0.533292 0.966708 0.250000 Al\n0.202684 0.297316 0.250000 Ge\n0.297316 0.202684 0.750000 Ge\n0.797316 0.702684 0.750000 Ge\n0.702684 0.797316 0.250000 Ge\n0.185128 0.814872 0.050892 Ge\n0.814872 0.185128 0.949108 Ge\n0.314872 0.685128 0.550892 Ge\n0.685128 0.314872 0.449108 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Sm",
"density": 6.17202642604151,
"density_atomic": 0.049763025551519534,
"volume": 361.71434112993484,
"volume_molar": 12.101637095528474,
"formula_full": "Sm4 Al6 Ge8",
"formula_reduced": "Sm2Al3Ge4",
"formula_anonymous": "A2B3C4",
"energy": -86.72583662,
"energy_per_atom": -4.818102034444444,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:45.866000Z",
"spacegroup": 64
},
{
"id": "mp-761238",
"created_at": "2022-09-04T14:42:23.293464Z",
"structure_string": "Li6 Mn3 V3 P12 O42\n1.0\n4.870329 0.000000 0.000000\n2.280824 6.697380 0.000000\n0.105573 0.182172 24.833497\nLi Mn V P O\n6 3 3 12 42\ndirect\n0.174287 0.326823 0.620496 Li\n0.172259 0.325136 0.953344 Li\n0.176905 0.325979 0.287055 Li\n0.823821 0.675013 0.119994 Li\n0.821923 0.674235 0.453644 Li\n0.827211 0.674617 0.786524 Li\n0.212395 0.272253 0.832927 Mn\n0.787155 0.730906 0.665978 Mn\n0.785559 0.727297 0.999978 Mn\n0.215588 0.274004 0.166729 V\n0.213276 0.270851 0.499545 V\n0.784604 0.728516 0.333170 V\n0.402031 0.477173 0.059050 P\n0.400419 0.476430 0.393399 P\n0.401700 0.483574 0.725639 P\n0.213677 0.914185 0.261183 P\n0.214844 0.910524 0.595161 P\n0.213863 0.908462 0.929153 P\n0.789060 0.087011 0.095672 P\n0.786697 0.085755 0.428159 P\n0.786773 0.091307 0.762767 P\n0.599634 0.524088 0.226758 P\n0.600379 0.517948 0.560157 P\n0.599241 0.516367 0.892490 P\n0.048760 0.154362 0.108570 O\n0.055085 0.150174 0.776331 O\n0.049759 0.147583 0.441414 O\n0.128470 0.109842 0.900918 O\n0.133775 0.114798 0.232067 O\n0.132271 0.110365 0.565509 O\n0.187165 0.517580 0.011901 O\n0.191275 0.519703 0.677712 O\n0.187226 0.517447 0.345995 O\n0.249499 0.506670 0.779810 O\n0.250372 0.494731 0.113975 O\n0.247119 0.492418 0.447684 O\n0.396583 0.397335 0.225924 O\n0.392156 0.394725 0.558350 O\n0.392002 0.391108 0.890372 O\n0.600283 0.087678 0.145582 O\n0.600668 0.083288 0.478060 O\n0.597166 0.091148 0.812428 O\n0.597245 0.247512 0.051109 O\n0.596274 0.247304 0.384366 O\n0.599096 0.252443 0.718522 O\n0.404683 0.754010 0.217738 O\n0.402925 0.748602 0.885277 O\n0.403695 0.749549 0.552083 O\n0.398028 0.915713 0.311139 O\n0.398974 0.913744 0.644860 O\n0.401786 0.907883 0.978985 O\n0.603453 0.606510 0.058067 O\n0.603038 0.603790 0.392433 O\n0.607900 0.610030 0.723655 O\n0.752183 0.506784 0.281273 O\n0.755123 0.495034 0.613859 O\n0.750188 0.491868 0.946789 O\n0.812888 0.484904 0.179433 O\n0.810195 0.482392 0.511929 O\n0.810623 0.481814 0.844514 O\n0.873102 0.886295 0.068050 O\n0.872140 0.891073 0.734581 O\n0.866408 0.886175 0.399062 O\n0.949619 0.852112 0.274586 O\n0.943047 0.855401 0.608918 O\n0.944452 0.849650 0.942784 O\n",
"nsites": 66,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
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"density": 2.8759974188659085,
"density_atomic": 0.08147846052543918,
"volume": 810.0300321628376,
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"formula_full": "Li6 Mn3 V3 P12 O42",
"formula_reduced": "Li2MnV(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -514.07132237,
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"updated_at": "2021-11-28T01:35:41.640000Z",
"spacegroup": 1
},
{
"id": "mp-1095912",
"created_at": "2022-09-04T14:42:23.345071Z",
"structure_string": "Mg1 Nb1 Os2\n1.0\n-4.937184 5.485532 7.757216\n4.937184 -5.485532 7.757216\n4.937184 5.485532 -7.757216\nMg Nb Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Nb\n0.000000 0.274517 0.274517 Os\n0.000000 0.725483 0.725483 Os\n",
"nsites": 4,
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"elements": [
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"Os"
],
"chemical_system": "Mg-Nb-Os",
"density": 0.9833946062684068,
"density_atomic": 0.004759880500759106,
"volume": 840.3572315233711,
"volume_molar": 126.51873842294125,
"formula_full": "Mg1 Nb1 Os2",
"formula_reduced": "MgNbOs2",
"formula_anonymous": "ABC2",
"energy": -19.92491866,
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"updated_at": "2021-11-28T01:35:47.476000Z",
"spacegroup": 71
},
{
"id": "mp-1199980",
"created_at": "2022-09-04T14:42:23.347019Z",
"structure_string": "Eu12 Mg20 Si20\n1.0\n4.478247 0.000000 0.000000\n0.000000 14.224976 0.000000\n0.000000 0.000000 18.136320\nEu Mg Si\n12 20 20\ndirect\n0.250000 0.412389 0.653017 Eu\n0.250000 0.912389 0.846983 Eu\n0.750000 0.587611 0.346983 Eu\n0.750000 0.087611 0.153017 Eu\n0.250000 0.208197 0.484167 Eu\n0.250000 0.708197 0.015833 Eu\n0.750000 0.791803 0.515833 Eu\n0.750000 0.291803 0.984167 Eu\n0.250000 0.136728 0.691991 Eu\n0.250000 0.636728 0.808009 Eu\n0.750000 0.863272 0.308009 Eu\n0.750000 0.363272 0.191991 Eu\n0.250000 0.446594 0.456841 Mg\n0.250000 0.946594 0.043159 Mg\n0.750000 0.553406 0.543159 Mg\n0.750000 0.053406 0.956841 Mg\n0.250000 0.164647 0.870970 Mg\n0.250000 0.664647 0.629030 Mg\n0.750000 0.835353 0.129030 Mg\n0.750000 0.335353 0.370970 Mg\n0.250000 0.978388 0.560976 Mg\n0.250000 0.478388 0.939024 Mg\n0.750000 0.021612 0.439024 Mg\n0.750000 0.521612 0.060976 Mg\n0.250000 0.034609 0.310579 Mg\n0.250000 0.534609 0.189421 Mg\n0.750000 0.965391 0.689421 Mg\n0.750000 0.465391 0.810579 Mg\n0.250000 0.232831 0.271064 Mg\n0.250000 0.732831 0.228936 Mg\n0.750000 0.767169 0.728936 Mg\n0.750000 0.267169 0.771064 Mg\n0.250000 0.134350 0.018410 Si\n0.250000 0.634350 0.481590 Si\n0.750000 0.865650 0.981590 Si\n0.750000 0.365650 0.518410 Si\n0.250000 0.351655 0.825875 Si\n0.250000 0.851655 0.674125 Si\n0.750000 0.648345 0.174125 Si\n0.750000 0.148345 0.325875 Si\n0.250000 0.746287 0.384332 Si\n0.250000 0.246287 0.115668 Si\n0.750000 0.253713 0.615668 Si\n0.750000 0.753713 0.884332 Si\n0.250000 0.418698 0.309716 Si\n0.250000 0.918698 0.190284 Si\n0.750000 0.581302 0.690284 Si\n0.750000 0.081302 0.809716 Si\n0.250000 0.908014 0.424805 Si\n0.250000 0.408014 0.075195 Si\n0.750000 0.091986 0.575195 Si\n0.750000 0.591986 0.924805 Si\n",
"nsites": 52,
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"elements": [
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"Mg",
"Si"
],
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"density": 4.126964281512022,
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"volume": 1155.3371967224489,
"volume_molar": 13.38000619985846,
"formula_full": "Eu12 Mg20 Si20",
"formula_reduced": "Eu3(MgSi)5",
"formula_anonymous": "A3B5C5",
"energy": -283.49240233,
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"updated_at": "2021-11-28T01:35:48.674000Z",
"spacegroup": 62
},
{
"id": "mp-1226727",
"created_at": "2022-09-04T14:42:23.569621Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n2.323576 7.724120 0.000000\n-2.323576 7.724120 0.000000\n0.000000 2.821728 5.974407\nCd In Ag Te\n1 1 1 3\ndirect\n0.664152 0.664152 0.335615 Cd\n0.335145 0.335145 0.655274 In\n0.000635 0.000635 0.005405 Ag\n0.499600 0.499600 0.245597 Te\n0.164544 0.164544 0.590751 Te\n0.835927 0.835927 0.917357 Te\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.558795046763238,
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"volume": 214.4522934150782,
"volume_molar": 21.524364954173702,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
"energy": -19.17936512,
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