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{
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"results": [
{
"id": "mp-559752",
"created_at": "2022-09-04T14:43:11.197119Z",
"structure_string": "Cs4 Zn4 P4 O16\n1.0\n5.499748 0.000000 0.000000\n0.000000 9.402944 0.000000\n0.000000 0.000000 9.505029\nCs Zn P O\n4 4 4 16\ndirect\n0.761950 0.003516 0.796538 Cs\n0.261950 0.496484 0.296538 Cs\n0.261950 0.996484 0.203462 Cs\n0.761950 0.503516 0.703462 Cs\n0.251576 0.325850 0.917363 Zn\n0.751576 0.174150 0.417363 Zn\n0.251576 0.825850 0.582637 Zn\n0.751576 0.674150 0.082637 Zn\n0.751991 0.804322 0.412354 P\n0.251991 0.195678 0.587646 P\n0.751991 0.304322 0.087646 P\n0.251991 0.695678 0.912354 P\n0.576741 0.758051 0.533230 O\n0.076741 0.741949 0.033230 O\n0.662285 0.234890 0.226083 O\n0.576741 0.258051 0.966770 O\n0.011702 0.747982 0.449145 O\n0.162285 0.265110 0.726083 O\n0.511702 0.252018 0.550855 O\n0.011702 0.247982 0.050855 O\n0.255655 0.032772 0.605252 O\n0.076741 0.241949 0.466770 O\n0.755655 0.467228 0.105252 O\n0.755655 0.967228 0.394748 O\n0.255655 0.532772 0.894748 O\n0.162285 0.765110 0.773917 O\n0.662285 0.734890 0.273917 O\n0.511702 0.752018 0.949145 O\n",
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"formula_full": "Cs4 Zn4 P4 O16",
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{
"id": "mp-976856",
"created_at": "2022-09-04T14:43:11.209226Z",
"structure_string": "Na1 Mg3\n1.0\n4.673527 0.000000 0.000000\n0.000000 4.673527 0.000000\n0.000000 0.000000 4.673527\nNa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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"spacegroup": 221
},
{
"id": "mp-1228615",
"created_at": "2022-09-04T14:43:11.211041Z",
"structure_string": "Ba1 Nb6 Bi6 Pb2 O27\n1.0\n3.959705 0.000000 0.000000\n0.000000 3.959705 0.000000\n-1.979852 -1.979852 38.220489\nBa Nb Bi Pb O\n1 6 6 2 27\ndirect\n0.166667 0.166667 0.333333 Ba\n0.637087 0.637087 0.274173 Nb\n0.304153 0.304153 0.608307 Nb\n0.970823 0.970823 0.941645 Nb\n0.029180 0.029180 0.058360 Nb\n0.696247 0.696247 0.392493 Nb\n0.362510 0.362510 0.725022 Nb\n0.099482 0.099482 0.198963 Bi\n0.766252 0.766252 0.532505 Bi\n0.432896 0.432896 0.865792 Bi\n0.567081 0.567081 0.134162 Bi\n0.233852 0.233852 0.467703 Bi\n0.900437 0.900437 0.800875 Bi\n0.833324 0.833324 0.666649 Pb\n0.500009 0.500009 0.000018 Pb\n0.612216 0.612216 0.224432 O\n0.279193 0.279193 0.558386 O\n0.945867 0.945867 0.891736 O\n0.054141 0.054141 0.108280 O\n0.721117 0.721117 0.442235 O\n0.387466 0.387466 0.774931 O\n0.083294 0.583294 0.166590 O\n0.750039 0.250039 0.500077 O\n0.416667 0.916667 0.833333 O\n0.583294 0.083294 0.166590 O\n0.250039 0.750039 0.500077 O\n0.916667 0.416667 0.833333 O\n0.140068 0.640068 0.280136 O\n0.807153 0.307153 0.614304 O\n0.473833 0.973833 0.947668 O\n0.640068 0.140068 0.280136 O\n0.307153 0.807153 0.614304 O\n0.973833 0.473833 0.947668 O\n0.526181 0.026181 0.052362 O\n0.193265 0.693265 0.386531 O\n0.859500 0.359500 0.718999 O\n0.026181 0.526181 0.052362 O\n0.693265 0.193265 0.386531 O\n0.359500 0.859500 0.718999 O\n0.000031 0.000031 0.000062 O\n0.666667 0.666667 0.333333 O\n0.333302 0.333302 0.666605 O\n",
"nsites": 42,
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"elements": [
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"volume": 599.2691252780385,
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"formula_full": "Ba1 Nb6 Bi6 Pb2 O27",
"formula_reduced": "BaNb6Bi6Pb2O27",
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"spacegroup": 139
},
{
"id": "mp-1228896",
"created_at": "2022-09-04T14:43:11.224739Z",
"structure_string": "Ba10 Bi2 Pb8 O30\n1.0\n6.171130 0.000000 0.000000\n3.044553 5.369439 0.000000\n3.046690 1.785388 25.177908\nBa Bi Pb O\n10 2 8 30\ndirect\n0.747967 0.755239 0.246860 Ba\n0.347634 0.353288 0.449152 Ba\n0.544265 0.553885 0.851843 Ba\n0.945400 0.951859 0.652950 Ba\n0.145325 0.155284 0.049437 Ba\n0.854675 0.844716 0.950563 Ba\n0.455735 0.446115 0.148157 Ba\n0.652366 0.646712 0.550848 Ba\n0.054600 0.048141 0.347050 Ba\n0.252033 0.244761 0.753140 Ba\n0.700543 0.699869 0.399513 Bi\n0.299457 0.300131 0.600487 Bi\n0.800100 0.800419 0.099464 Pb\n0.399888 0.401412 0.298492 Pb\n0.000000 0.000000 0.500000 Pb\n0.600112 0.598588 0.701508 Pb\n0.199900 0.199581 0.900536 Pb\n0.899011 0.900129 0.800896 Pb\n0.500000 0.500000 0.000000 Pb\n0.100989 0.099871 0.199104 Pb\n0.669906 0.170892 0.056897 O\n0.267549 0.772919 0.257587 O\n0.467722 0.968298 0.654532 O\n0.865261 0.372003 0.456104 O\n0.072077 0.567278 0.855963 O\n0.130782 0.629019 0.043469 O\n0.734883 0.226957 0.244804 O\n0.932530 0.432690 0.642599 O\n0.335759 0.829991 0.444043 O\n0.528040 0.031019 0.842887 O\n0.471960 0.968981 0.157113 O\n0.067470 0.567310 0.357401 O\n0.265117 0.773043 0.755196 O\n0.664241 0.170009 0.555957 O\n0.869218 0.370981 0.956531 O\n0.927923 0.432722 0.144037 O\n0.532278 0.031702 0.345468 O\n0.732451 0.227081 0.742413 O\n0.134739 0.627997 0.543896 O\n0.330094 0.829108 0.943103 O\n0.587913 0.710788 0.050257 O\n0.187199 0.306155 0.251549 O\n0.792771 0.903228 0.450057 O\n0.396094 0.506532 0.648199 O\n0.990839 0.113055 0.849169 O\n0.009161 0.886945 0.150831 O\n0.603906 0.493468 0.351801 O\n0.207229 0.096772 0.549943 O\n0.812801 0.693845 0.748451 O\n0.412087 0.289212 0.949743 O\n",
"nsites": 50,
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"elements": [
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],
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"density": 7.819827681820091,
"density_atomic": 0.05993172165792566,
"volume": 834.2827240202895,
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"formula_full": "Ba10 Bi2 Pb8 O30",
"formula_reduced": "Ba5BiPb4O15",
"formula_anonymous": "AB4C5D15",
"energy": -312.17515377,
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},
{
"id": "mp-29019",
"created_at": "2022-09-04T14:43:11.231207Z",
"structure_string": "Rb18 I6 O6\n1.0\n4.024846 -6.971238 0.000000\n4.024846 6.971238 0.000000\n0.000000 0.000000 20.012917\nRb I O\n18 6 6\ndirect\n0.331907 0.165954 0.418701 Rb\n0.331907 0.165954 0.081299 Rb\n0.834046 0.668093 0.081299 Rb\n0.165954 0.331907 0.581299 Rb\n0.668093 0.834046 0.581299 Rb\n0.165954 0.834046 0.918701 Rb\n0.834046 0.668093 0.418701 Rb\n0.834046 0.165954 0.081299 Rb\n0.834046 0.165954 0.418701 Rb\n0.479629 0.520371 0.750000 Rb\n0.668093 0.834046 0.918701 Rb\n0.165954 0.331907 0.918701 Rb\n0.520371 0.479629 0.250000 Rb\n0.959258 0.479629 0.250000 Rb\n0.520371 0.040742 0.250000 Rb\n0.479629 0.959258 0.750000 Rb\n0.040742 0.520371 0.750000 Rb\n0.165954 0.834046 0.581299 Rb\n0.333333 0.666667 0.410761 I\n0.666667 0.333333 0.910761 I\n0.666667 0.333333 0.589239 I\n0.333333 0.666667 0.089239 I\n0.000000 0.000000 0.750000 I\n0.000000 0.000000 0.250000 I\n0.333333 0.666667 0.658786 O\n0.666667 0.333333 0.158786 O\n0.666667 0.333333 0.341214 O\n0.333333 0.666667 0.841214 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 30,
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"elements": [
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],
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"volume": 1123.051229663326,
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"formula_full": "Rb18 I6 O6",
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"spacegroup": 194
},
{
"id": "mp-1226228",
"created_at": "2022-09-04T14:43:11.257042Z",
"structure_string": "Cr1 B2 Mo1\n1.0\n1.530770 -4.116072 0.000000\n1.530770 4.116072 0.000000\n0.000000 0.000000 3.009994\nCr B Mo\n1 2 1\ndirect\n0.859570 0.140430 0.500000 Cr\n0.435250 0.564750 0.000000 B\n0.556357 0.443643 0.500000 B\n0.148823 0.851177 0.000000 Mo\n",
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"formula_full": "Cr1 B2 Mo1",
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{
"id": "mp-771194",
"created_at": "2022-09-04T14:43:11.272439Z",
"structure_string": "Nb8 Ge8 O28\n1.0\n5.763064 0.000000 0.000000\n0.000000 8.012662 0.000000\n0.000000 1.392119 13.630016\nNb Ge O\n8 8 28\ndirect\n0.270055 0.925512 0.322449 Nb\n0.788105 0.967215 0.117378 Nb\n0.761889 0.586312 0.685814 Nb\n0.290644 0.523891 0.889542 Nb\n0.790644 0.476109 0.110458 Nb\n0.261889 0.413688 0.314186 Nb\n0.288105 0.032785 0.882622 Nb\n0.770055 0.074488 0.677551 Nb\n0.237163 0.855832 0.563223 Ge\n0.874052 0.813538 0.898181 Ge\n0.339816 0.694209 0.140629 Ge\n0.739418 0.577026 0.428327 Ge\n0.239418 0.422974 0.571673 Ge\n0.839816 0.305791 0.859371 Ge\n0.374052 0.186462 0.101819 Ge\n0.737163 0.144168 0.436777 Ge\n0.530338 0.981518 0.395728 O\n0.466493 0.984695 0.184823 O\n0.711124 0.811471 0.695003 O\n0.227053 0.771799 0.891290 O\n0.090196 0.863187 0.435208 O\n0.988602 0.962383 0.006991 O\n0.984948 0.941948 0.222710 O\n0.051461 0.619078 0.607671 O\n0.948717 0.538867 0.813260 O\n0.686532 0.726473 0.110856 O\n0.333207 0.696210 0.290267 O\n0.585610 0.543120 0.562603 O\n0.516836 0.493560 0.984871 O\n0.470232 0.521080 0.774693 O\n0.970232 0.478920 0.225307 O\n0.016836 0.506440 0.015129 O\n0.085610 0.456880 0.437397 O\n0.833207 0.303790 0.709733 O\n0.186532 0.273527 0.889144 O\n0.448717 0.461133 0.186740 O\n0.551461 0.380922 0.392329 O\n0.484948 0.058052 0.777290 O\n0.488602 0.037617 0.993009 O\n0.590196 0.136813 0.564792 O\n0.727053 0.228201 0.108710 O\n0.211124 0.188529 0.304997 O\n0.966493 0.015305 0.815177 O\n0.030338 0.018482 0.604272 O\n",
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"volume": 629.3998446198385,
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"formula_full": "Nb8 Ge8 O28",
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"energy": -363.21697413,
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{
"id": "mp-30355",
"created_at": "2022-09-04T14:43:11.254746Z",
"structure_string": "Sr8 Ag8\n1.0\n4.864516 0.000000 0.000000\n0.000000 6.405693 0.000000\n0.000000 0.000000 16.617142\nSr Ag\n8 8\ndirect\n0.250000 0.754098 0.534779 Sr\n0.750000 0.245902 0.465221 Sr\n0.750000 0.254098 0.965221 Sr\n0.250000 0.745902 0.034779 Sr\n0.250000 0.987474 0.785047 Sr\n0.750000 0.012526 0.214953 Sr\n0.750000 0.487474 0.714953 Sr\n0.250000 0.512526 0.285047 Sr\n0.250000 0.243573 0.607622 Ag\n0.750000 0.756427 0.392378 Ag\n0.750000 0.743573 0.892378 Ag\n0.250000 0.256427 0.107622 Ag\n0.250000 0.496695 0.857076 Ag\n0.750000 0.503305 0.142924 Ag\n0.750000 0.996695 0.642924 Ag\n0.250000 0.003305 0.357076 Ag\n",
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{
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"created_at": "2022-09-04T14:43:11.301192Z",
"structure_string": "Li4 C2 O6\n1.0\n2.522176 4.209100 0.000000\n-2.522176 4.209100 0.000000\n0.000000 2.605767 5.788302\nLi C O\n4 2 6\ndirect\n0.749758 0.647945 0.161044 Li\n0.352055 0.250242 0.338956 Li\n0.250242 0.352055 0.838956 Li\n0.647945 0.749758 0.661044 Li\n0.934963 0.065037 0.750000 C\n0.065037 0.934963 0.250000 C\n0.680146 0.319854 0.750000 O\n0.319854 0.680146 0.250000 O\n0.211668 0.082082 0.685253 O\n0.917918 0.788332 0.814747 O\n0.788333 0.917918 0.314747 O\n0.082082 0.211667 0.185253 O\n",
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"formula_full": "Li4 C2 O6",
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{
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{
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"density": 7.072995908528626,
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"volume": 222.2236156140875,
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"formula_full": "Mn2 Ga12",
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{
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"structure_string": "Al2 Fe1 S4\n1.0\n11.984639 -1.779385 0.000000\n11.984639 1.779385 0.000000\n11.720450 0.000000 3.070641\nAl Fe S\n2 1 4\ndirect\n0.759118 0.759118 0.759118 Al\n0.240882 0.240882 0.240882 Al\n0.000000 0.000000 0.000000 Fe\n0.879503 0.879503 0.879503 S\n0.120497 0.120497 0.120497 S\n0.304216 0.304216 0.304216 S\n0.695784 0.695784 0.695784 S\n",
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}