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{
"id": "mp-1382564",
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"structure_string": "Na2 Cu5 Si4 O14\n1.0\n-5.821626 0.000000 0.000000\n2.798456 7.384328 0.000000\n-0.380344 -3.752405 -7.188631\nNa Cu Si O\n2 5 4 14\ndirect\n0.767393 0.689418 0.941925 Na\n0.232607 0.310582 0.058075 Na\n0.187430 0.840148 0.227528 Cu\n0.500000 0.000000 0.500000 Cu\n0.812570 0.159852 0.772472 Cu\n0.583430 0.577378 0.318871 Cu\n0.416570 0.422622 0.681129 Cu\n0.307164 0.805253 0.908646 Si\n0.013801 0.626241 0.635037 Si\n0.986199 0.373759 0.364963 Si\n0.692836 0.194747 0.091354 Si\n0.805570 0.079357 0.029207 O\n0.938218 0.297965 0.205876 O\n0.908928 0.592173 0.266701 O\n0.091072 0.407827 0.733299 O\n0.718375 0.593959 0.550857 O\n0.578585 0.381341 0.922729 O\n0.061782 0.702035 0.794124 O\n0.194430 0.920643 0.970793 O\n0.281625 0.406041 0.449143 O\n0.191697 0.804153 0.476425 O\n0.512312 0.945604 0.758017 O\n0.487688 0.054396 0.241983 O\n0.808303 0.195847 0.523575 O\n0.421415 0.618659 0.077271 O\n",
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{
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"structure_string": "Ga1 Si1 Ru2\n1.0\n0.000000 2.980417 2.980417\n2.980417 0.000000 2.980417\n2.980417 2.980417 0.000000\nGa Si Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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{
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"structure_string": "Ho1 Ni1 Sb1\n1.0\n0.000000 3.165237 3.165237\n3.165237 0.000000 3.165237\n3.165237 3.165237 0.000000\nHo Ni Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sb\n",
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},
{
"id": "mp-1280674",
"created_at": "2022-09-04T14:46:52.567450Z",
"structure_string": "Na1 Mn2 Mo2 H3 O10\n1.0\n4.317489 3.325310 -2.117028\n4.317418 -3.325065 -2.116787\n0.025561 0.000282 -7.812815\nNa Mn Mo H O\n1 2 2 3 10\ndirect\n0.502838 0.497210 0.499994 Na\n0.503530 0.994360 0.000172 Mn\n0.006145 0.494857 0.000276 Mn\n0.090075 0.082682 0.704726 Mo\n0.917166 0.909883 0.295299 Mo\n0.507927 0.494324 0.999203 H\n0.681416 0.669210 0.779859 H\n0.330718 0.318520 0.219990 H\n0.760148 0.754322 0.526532 O\n0.245837 0.239861 0.473710 O\n0.830927 0.822552 0.126552 O\n0.177423 0.168976 0.873513 O\n0.647996 0.635432 0.919677 O\n0.364227 0.351712 0.080293 O\n0.818373 0.248418 0.263263 O\n0.751597 0.181502 0.736831 O\n0.255625 0.809967 0.263600 O\n0.190033 0.744211 0.736511 O\n",
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"formula_full": "Na1 Mn2 Mo2 H3 O10",
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{
"id": "mp-542864",
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"structure_string": "Na4 Ni2 H24 S4 O28\n1.0\n11.998646 0.000000 0.000000\n0.000000 6.011579 0.000000\n0.000000 2.145969 8.618832\nNa Ni H S O\n4 2 24 4 28\ndirect\n0.355022 0.839655 0.865121 Na\n0.144978 0.839655 0.365121 Na\n0.855022 0.160345 0.634879 Na\n0.644978 0.160345 0.134879 Na\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.126090 0.593760 0.747035 H\n0.626090 0.406240 0.752965 H\n0.689535 0.488195 0.360033 H\n0.413458 0.825579 0.285235 H\n0.055992 0.156785 0.902828 H\n0.598865 0.565217 0.228356 H\n0.555992 0.843215 0.597172 H\n0.098865 0.434783 0.271644 H\n0.401135 0.434783 0.771644 H\n0.810465 0.488195 0.860033 H\n0.310465 0.511805 0.639967 H\n0.444008 0.156785 0.402828 H\n0.189535 0.511805 0.139967 H\n0.646710 0.835108 0.468123 H\n0.086542 0.825579 0.785235 H\n0.913458 0.174421 0.214765 H\n0.146710 0.164892 0.031877 H\n0.373910 0.593760 0.247035 H\n0.353290 0.164892 0.531877 H\n0.944008 0.843215 0.097172 H\n0.586542 0.174421 0.714765 H\n0.853290 0.835108 0.968123 H\n0.873910 0.406240 0.252965 H\n0.901135 0.565217 0.728356 H\n0.867938 0.771480 0.413766 S\n0.132062 0.228520 0.586234 S\n0.632062 0.771480 0.913766 S\n0.367938 0.228520 0.086234 S\n0.270856 0.070493 0.095631 O\n0.385674 0.550978 0.672468 O\n0.072947 0.250573 0.436545 O\n0.671067 0.540549 0.898848 O\n0.171067 0.459451 0.601152 O\n0.433382 0.193093 0.504592 O\n0.614326 0.449022 0.327532 O\n0.883890 0.329204 0.167038 O\n0.447409 0.127182 0.214648 O\n0.828933 0.540549 0.398848 O\n0.566618 0.806907 0.495408 O\n0.229144 0.070493 0.595631 O\n0.052591 0.127182 0.714648 O\n0.885674 0.449022 0.827532 O\n0.552591 0.872818 0.785352 O\n0.572947 0.749427 0.063455 O\n0.116110 0.670796 0.832962 O\n0.616110 0.329204 0.667038 O\n0.066618 0.193093 0.004592 O\n0.383890 0.670796 0.332962 O\n0.729144 0.929507 0.904369 O\n0.947409 0.872818 0.285352 O\n0.933382 0.806907 0.995408 O\n0.427053 0.250573 0.936545 O\n0.328933 0.459451 0.101152 O\n0.770856 0.929507 0.404369 O\n0.927053 0.749427 0.563455 O\n0.114326 0.550978 0.172468 O\n",
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"formula_full": "Na4 Ni2 H24 S4 O28",
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{
"id": "mp-1220094",
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"structure_string": "Nd1 Sm1 Fe17 N3\n1.0\n4.873092 -4.358172 0.000000\n4.873092 4.358172 0.000000\n0.975431 0.000000 6.464458\nNd Sm Fe N\n1 1 17 3\ndirect\n0.656576 0.656576 0.656576 Nd\n0.342495 0.342495 0.342495 Sm\n0.341621 0.341621 0.858482 Fe\n0.858482 0.341621 0.341621 Fe\n0.341621 0.858482 0.341621 Fe\n0.657788 0.657788 0.142849 Fe\n0.142849 0.657788 0.657788 Fe\n0.657788 0.142849 0.657788 Fe\n0.717405 0.282236 0.000461 Fe\n0.000461 0.717405 0.282236 Fe\n0.282236 0.000461 0.717405 Fe\n0.000461 0.282236 0.717405 Fe\n0.717405 0.000461 0.282236 Fe\n0.282236 0.717405 0.000461 Fe\n0.999747 0.999747 0.500009 Fe\n0.500009 0.999747 0.999747 Fe\n0.999747 0.500009 0.999747 Fe\n0.906044 0.906044 0.906044 Fe\n0.094455 0.094455 0.094455 Fe\n0.498651 0.498651 0.003270 N\n0.003270 0.498651 0.498651 N\n0.498651 0.003270 0.498651 N\n",
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{
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{
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"created_at": "2022-09-04T14:46:52.594268Z",
"structure_string": "Cd2 O4\n1.0\n5.952317 2.714670 0.000000\n-5.952317 2.714670 0.000000\n0.000000 2.443150 2.714908\nCd O\n2 4\ndirect\n0.116613 0.823199 0.061010 Cd\n0.823199 0.116613 0.061010 Cd\n0.046598 0.046598 0.369706 O\n0.668326 0.668326 0.175257 O\n0.222576 0.699690 0.576509 O\n0.699690 0.222576 0.576509 O\n",
"nsites": 6,
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"elements": [
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"O"
],
"chemical_system": "Cd-O",
"density": 5.466225590319338,
"density_atomic": 0.06838534491882069,
"volume": 87.73809662176185,
"volume_molar": 8.806186131178839,
"formula_full": "Cd2 O4",
"formula_reduced": "CdO2",
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},
{
"id": "mp-1111675",
"created_at": "2022-09-04T14:46:52.601188Z",
"structure_string": "K2 Li1 Ce1 Cl6\n1.0\n0.000000 5.299915 5.299915\n5.299915 0.000000 5.299915\n5.299915 5.299915 0.000000\nK Li Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.742233 0.257767 0.257767 Cl\n0.257767 0.257767 0.742233 Cl\n0.257767 0.742233 0.742233 Cl\n0.257767 0.742233 0.257767 Cl\n0.742233 0.257767 0.742233 Cl\n0.742233 0.742233 0.257767 Cl\n",
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"elements": [
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],
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"density": 2.4426336647894655,
"density_atomic": 0.033586387244196284,
"volume": 297.7396743297538,
"volume_molar": 17.930302286503363,
"formula_full": "K2 Li1 Ce1 Cl6",
"formula_reduced": "K2LiCeCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:42.109000Z",
"spacegroup": 225
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]
}