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{
"id": "mp-693463",
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"structure_string": "Na2 Ca6 Sc2 Zn6 Si16 O48\n1.0\n18.130989 0.000000 0.000000\n0.000000 5.337458 0.000000\n0.000000 2.569765 9.587607\nNa Ca Sc Zn Si O\n2 6 2 6 16 48\ndirect\n0.528026 0.500000 0.750000 Na\n0.471974 0.500000 0.250000 Na\n0.274905 0.000000 0.250000 Ca\n0.023637 0.500000 0.750000 Ca\n0.776059 0.000000 0.250000 Ca\n0.223941 0.000000 0.750000 Ca\n0.976363 0.500000 0.250000 Ca\n0.725095 0.000000 0.750000 Ca\n0.573607 0.000000 0.250000 Sc\n0.426393 0.000000 0.750000 Sc\n0.325701 0.500000 0.750000 Zn\n0.077881 0.000000 0.250000 Zn\n0.173359 0.500000 0.250000 Zn\n0.826641 0.500000 0.750000 Zn\n0.922119 0.000000 0.750000 Zn\n0.674299 0.500000 0.250000 Zn\n0.170308 0.696613 0.536317 Si\n0.170308 0.303387 0.963683 Si\n0.921866 0.197411 0.035391 Si\n0.329195 0.699758 0.037570 Si\n0.921866 0.802589 0.464609 Si\n0.670805 0.699758 0.537570 Si\n0.329195 0.300242 0.462430 Si\n0.078134 0.197411 0.535391 Si\n0.670805 0.300242 0.962430 Si\n0.419970 0.201280 0.036452 Si\n0.078134 0.802589 0.964609 Si\n0.829692 0.696613 0.036317 Si\n0.419970 0.798720 0.463548 Si\n0.829692 0.303387 0.463683 Si\n0.580030 0.201280 0.536452 Si\n0.580030 0.798720 0.963548 Si\n0.366262 0.405671 0.096295 O\n0.115770 0.902358 0.598091 O\n0.247292 0.710282 0.615017 O\n0.867347 0.401684 0.098134 O\n0.169943 0.779364 0.367111 O\n0.169943 0.220636 0.132889 O\n0.999513 0.213166 0.111638 O\n0.619101 0.909317 0.598911 O\n0.366262 0.594329 0.403705 O\n0.247292 0.289718 0.884983 O\n0.920070 0.279135 0.866365 O\n0.250915 0.711931 0.111569 O\n0.132653 0.401684 0.598134 O\n0.331581 0.784636 0.867413 O\n0.920070 0.720865 0.633635 O\n0.749085 0.711931 0.611569 O\n0.115770 0.097642 0.901909 O\n0.999513 0.786834 0.388362 O\n0.331581 0.215364 0.632587 O\n0.668419 0.784636 0.367413 O\n0.000487 0.213166 0.611638 O\n0.884230 0.902358 0.098091 O\n0.250915 0.288069 0.388431 O\n0.079930 0.279135 0.366365 O\n0.668419 0.215364 0.132587 O\n0.498702 0.201865 0.111238 O\n0.867347 0.598316 0.401866 O\n0.749085 0.288069 0.888431 O\n0.079930 0.720865 0.133635 O\n0.417303 0.277118 0.867409 O\n0.752708 0.710282 0.115017 O\n0.633738 0.405671 0.596295 O\n0.000487 0.786834 0.888362 O\n0.830057 0.779364 0.867111 O\n0.417303 0.722882 0.632591 O\n0.619101 0.090683 0.901089 O\n0.498702 0.798135 0.388762 O\n0.830057 0.220636 0.632889 O\n0.501298 0.201865 0.611238 O\n0.380899 0.909317 0.098911 O\n0.132653 0.598316 0.901866 O\n0.752708 0.289718 0.384983 O\n0.582697 0.277118 0.367409 O\n0.582697 0.722882 0.132591 O\n0.884230 0.097642 0.401909 O\n0.501298 0.798135 0.888762 O\n0.633738 0.594329 0.903705 O\n0.380899 0.090683 0.401089 O\n",
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],
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"volume": 927.8252532946352,
"volume_molar": 6.984367845028684,
"formula_full": "Na2 Ca6 Sc2 Zn6 Si16 O48",
"formula_reduced": "NaCa3ScZn3(SiO3)8",
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"updated_at": "2021-11-28T01:34:24.158000Z",
"spacegroup": 13
},
{
"id": "mp-1221120",
"created_at": "2022-09-04T14:48:13.578503Z",
"structure_string": "Na1 Ca3 Sc1 Zn3 Si8 O24\n1.0\n9.097094 0.000000 0.000000\n0.000000 5.332143 0.000000\n0.000000 2.559551 9.561843\nNa Ca Sc Zn Si O\n1 3 1 3 8 24\ndirect\n0.803540 0.500000 0.500000 Na\n0.295697 0.000000 0.000000 Ca\n0.196962 0.000000 0.500000 Ca\n0.704032 0.500000 0.000000 Ca\n0.603321 0.000000 0.500000 Sc\n0.400500 0.500000 0.500000 Zn\n0.904832 0.000000 0.000000 Zn\n0.094459 0.500000 0.000000 Zn\n0.090122 0.694245 0.287619 Si\n0.592177 0.195700 0.787085 Si\n0.090122 0.305755 0.712381 Si\n0.592177 0.804300 0.212915 Si\n0.909679 0.803643 0.713127 Si\n0.407999 0.305314 0.212153 Si\n0.909679 0.196357 0.286873 Si\n0.407999 0.694686 0.787847 Si\n0.088760 0.778159 0.116993 O\n0.584258 0.274769 0.617416 O\n0.088760 0.221841 0.883007 O\n0.584258 0.725231 0.382584 O\n0.910007 0.720775 0.883233 O\n0.413934 0.218549 0.382940 O\n0.910007 0.279225 0.116767 O\n0.413934 0.781451 0.617060 O\n0.246778 0.710345 0.361334 O\n0.746907 0.211251 0.861796 O\n0.246778 0.289655 0.638666 O\n0.746907 0.788749 0.138204 O\n0.751392 0.797528 0.639995 O\n0.252422 0.288937 0.138808 O\n0.751392 0.202472 0.360005 O\n0.252422 0.711063 0.861192 O\n0.018057 0.397648 0.348839 O\n0.516510 0.899445 0.850008 O\n0.018057 0.602352 0.651161 O\n0.516510 0.100555 0.149992 O\n0.985929 0.096118 0.650980 O\n0.483397 0.599516 0.150579 O\n0.985929 0.903882 0.349020 O\n0.483397 0.400484 0.849421 O\n",
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"elements": [
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"formula_full": "Na1 Ca3 Sc1 Zn3 Si8 O24",
"formula_reduced": "NaCa3ScZn3(SiO3)8",
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"spacegroup": 3
},
{
"id": "mp-534778",
"created_at": "2022-09-04T14:47:19.410873Z",
"structure_string": "Na2 Ca4 Sc2 Zn4 Si12 O36\n1.0\n13.623511 4.980816 0.000000\n-13.623511 4.980816 0.000000\n0.000000 1.495239 5.134018\nNa Ca Sc Zn Si O\n2 4 2 4 12 36\ndirect\n0.767983 0.232017 0.250000 Na\n0.232017 0.767983 0.750000 Na\n0.099425 0.900575 0.250000 Ca\n0.433059 0.566941 0.250000 Ca\n0.566941 0.433059 0.750000 Ca\n0.900575 0.099425 0.750000 Ca\n0.298873 0.701127 0.250000 Sc\n0.701127 0.298873 0.750000 Sc\n0.634314 0.365686 0.250000 Zn\n0.967997 0.032003 0.250000 Zn\n0.032003 0.967997 0.750000 Zn\n0.365686 0.634314 0.750000 Zn\n0.744349 0.682969 0.230381 Si\n0.317031 0.255651 0.269619 Si\n0.074726 0.347204 0.237198 Si\n0.347204 0.074726 0.737198 Si\n0.652796 0.925274 0.262802 Si\n0.409395 0.016434 0.237339 Si\n0.925274 0.652796 0.762802 Si\n0.682969 0.744349 0.730381 Si\n0.983566 0.590605 0.262661 Si\n0.255651 0.317031 0.769619 Si\n0.016434 0.409395 0.737339 Si\n0.590605 0.983566 0.762661 Si\n0.354781 0.342941 0.503476 O\n0.718592 0.554448 0.324181 O\n0.913265 0.853315 0.144429 O\n0.687151 0.008782 0.498097 O\n0.146685 0.086735 0.355571 O\n0.055742 0.223178 0.322492 O\n0.008782 0.687151 0.998097 O\n0.445552 0.281408 0.175819 O\n0.244255 0.520212 0.151134 O\n0.223178 0.055742 0.822492 O\n0.657059 0.645219 0.996524 O\n0.020482 0.679667 0.490966 O\n0.520212 0.244255 0.651134 O\n0.479788 0.755745 0.348866 O\n0.389165 0.890652 0.312329 O\n0.342941 0.354781 0.003476 O\n0.776822 0.944258 0.177508 O\n0.755745 0.479788 0.848866 O\n0.577697 0.187914 0.143066 O\n0.554448 0.718592 0.824181 O\n0.991218 0.312849 0.001903 O\n0.944258 0.776822 0.677508 O\n0.853315 0.913265 0.644429 O\n0.812086 0.422303 0.356934 O\n0.312849 0.991218 0.501903 O\n0.679667 0.020482 0.990966 O\n0.109348 0.610835 0.187671 O\n0.086735 0.146685 0.855571 O\n0.890652 0.389165 0.812329 O\n0.320333 0.979518 0.009034 O\n0.281408 0.445552 0.675819 O\n0.187914 0.577697 0.643066 O\n0.645219 0.657059 0.496524 O\n0.422303 0.812086 0.856934 O\n0.610835 0.109348 0.687671 O\n0.979518 0.320333 0.509034 O\n",
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{
"id": "mp-722188",
"created_at": "2022-09-04T14:47:23.264677Z",
"structure_string": "Na2 Ca8 Si16 H32 O56 F2\n1.0\n8.952939 0.000000 0.000000\n0.000000 8.969073 0.000000\n0.000000 0.000000 16.009386\nNa Ca Si H O F\n2 8 16 32 56 2\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.614629 0.254189 0.500000 Ca\n0.385371 0.745811 0.500000 Ca\n0.114629 0.245811 0.000000 Ca\n0.885371 0.754189 0.000000 Ca\n0.248289 0.382207 0.500000 Ca\n0.751711 0.617793 0.500000 Ca\n0.748289 0.117793 0.000000 Ca\n0.251711 0.882207 0.000000 Ca\n0.730925 0.416476 0.688717 Si\n0.269075 0.583524 0.688717 Si\n0.230925 0.083524 0.811283 Si\n0.769075 0.916476 0.811283 Si\n0.269075 0.583524 0.311283 Si\n0.730925 0.416476 0.311283 Si\n0.769075 0.916476 0.188717 Si\n0.230925 0.083524 0.188717 Si\n0.915627 0.229116 0.811405 Si\n0.084373 0.770884 0.811405 Si\n0.415627 0.270884 0.688595 Si\n0.584373 0.729116 0.688595 Si\n0.084373 0.770884 0.188595 Si\n0.915627 0.229116 0.188595 Si\n0.584373 0.729116 0.311405 Si\n0.415627 0.270884 0.311405 Si\n0.944881 0.313168 0.587827 H\n0.055119 0.686832 0.587827 H\n0.444881 0.186832 0.912173 H\n0.555119 0.813168 0.912173 H\n0.055119 0.686832 0.412173 H\n0.944881 0.313168 0.412173 H\n0.555119 0.813168 0.087827 H\n0.444881 0.186832 0.087827 H\n0.674513 0.946579 0.586672 H\n0.325487 0.053421 0.586672 H\n0.174513 0.553421 0.913328 H\n0.825487 0.446579 0.913328 H\n0.325487 0.053421 0.413328 H\n0.674513 0.946579 0.413328 H\n0.825487 0.446579 0.086672 H\n0.174513 0.553421 0.086672 H\n0.729626 0.072079 0.646958 H\n0.270374 0.927921 0.646958 H\n0.229626 0.427921 0.853042 H\n0.770374 0.572079 0.853042 H\n0.270374 0.927921 0.353042 H\n0.729626 0.072079 0.353042 H\n0.770374 0.572079 0.146958 H\n0.229626 0.427921 0.146958 H\n0.069179 0.247629 0.646092 H\n0.930821 0.752371 0.646092 H\n0.569179 0.252371 0.853908 H\n0.430821 0.747629 0.853908 H\n0.930821 0.752371 0.353908 H\n0.069179 0.247629 0.353908 H\n0.430821 0.747629 0.146092 H\n0.569179 0.252371 0.146092 H\n0.868443 0.367689 0.750321 O\n0.131557 0.632311 0.750321 O\n0.368443 0.132311 0.749679 O\n0.631557 0.867689 0.749679 O\n0.131557 0.632311 0.249679 O\n0.868443 0.367689 0.249679 O\n0.631557 0.867689 0.250321 O\n0.368443 0.132311 0.250321 O\n0.588465 0.309930 0.715570 O\n0.411535 0.690070 0.715570 O\n0.088465 0.190070 0.784430 O\n0.911535 0.809930 0.784430 O\n0.411535 0.690070 0.284430 O\n0.588465 0.309930 0.284430 O\n0.911535 0.809930 0.215570 O\n0.088465 0.190070 0.215570 O\n0.809208 0.087919 0.783054 O\n0.190792 0.912081 0.783054 O\n0.309208 0.412081 0.716946 O\n0.690792 0.587919 0.716946 O\n0.190792 0.912081 0.216946 O\n0.809208 0.087919 0.216946 O\n0.690792 0.587919 0.283054 O\n0.309208 0.412081 0.283054 O\n0.773084 0.401892 0.591205 O\n0.226916 0.598108 0.591205 O\n0.273084 0.098108 0.908795 O\n0.726916 0.901892 0.908795 O\n0.226916 0.598108 0.408795 O\n0.773084 0.401892 0.408795 O\n0.726916 0.901892 0.091205 O\n0.273084 0.098108 0.091205 O\n0.898886 0.269066 0.909029 O\n0.101114 0.730934 0.909029 O\n0.398886 0.230934 0.590971 O\n0.601114 0.769066 0.590971 O\n0.101114 0.730934 0.090971 O\n0.898886 0.269066 0.090971 O\n0.601114 0.769066 0.409029 O\n0.398886 0.230934 0.409029 O\n0.721577 0.048718 0.587418 O\n0.278423 0.951282 0.587418 O\n0.221577 0.451282 0.912582 O\n0.778423 0.548718 0.912582 O\n0.278423 0.951282 0.412582 O\n0.721577 0.048718 0.412582 O\n0.778423 0.548718 0.087418 O\n0.221577 0.451282 0.087418 O\n0.044130 0.260043 0.586960 O\n0.955870 0.739957 0.586960 O\n0.544130 0.239957 0.913040 O\n0.455870 0.760043 0.913040 O\n0.955870 0.739957 0.413040 O\n0.044130 0.260043 0.413040 O\n0.455870 0.760043 0.086960 O\n0.544130 0.239957 0.086960 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
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{
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{
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{
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}