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{
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{
"id": "mp-2721",
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{
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"elements": [
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"formula_full": "Li4 V8 O4 F20",
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"spacegroup": 1
},
{
"id": "mp-557976",
"created_at": "2022-09-04T14:45:12.756166Z",
"structure_string": "Na4 C8 O8\n1.0\n6.905816 0.000000 0.000000\n0.000000 3.562141 0.000000\n0.000000 0.391786 10.463692\nNa C O\n4 8 8\ndirect\n0.558451 0.293960 0.849328 Na\n0.441549 0.706040 0.150672 Na\n0.941549 0.293960 0.349328 Na\n0.058451 0.706040 0.650672 Na\n0.859377 0.892755 0.999438 C\n0.483223 0.902165 0.594544 C\n0.140623 0.107245 0.000562 C\n0.359377 0.107245 0.500562 C\n0.983223 0.097835 0.905456 C\n0.516777 0.097835 0.405456 C\n0.640623 0.892755 0.499438 C\n0.016777 0.902165 0.094544 C\n0.955267 0.212632 0.791062 O\n0.044733 0.787368 0.208938 O\n0.311974 0.230783 0.005824 O\n0.544733 0.212632 0.291062 O\n0.455267 0.787368 0.708938 O\n0.811974 0.769217 0.494176 O\n0.188026 0.230783 0.505824 O\n0.688026 0.769217 0.994176 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "C-Na-O",
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"formula_full": "Na4 C8 O8",
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"updated_at": "2021-11-28T01:36:48.631000Z",
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},
{
"id": "mp-1246306",
"created_at": "2022-09-04T14:45:12.667939Z",
"structure_string": "Sr6 Ir4 N8\n1.0\n7.370624 -0.176731 -0.066648\n-5.770250 7.373684 0.000000\n-0.144391 -0.112992 5.573475\nSr Ir N\n6 4 8\ndirect\n0.239793 0.966239 0.055413 Sr\n0.760207 0.726445 0.444587 Sr\n0.760207 0.033761 0.944587 Sr\n0.239793 0.273555 0.555413 Sr\n0.000000 0.593361 0.750000 Sr\n0.000000 0.406639 0.250000 Sr\n0.531970 0.150241 0.584189 Ir\n0.468030 0.618272 0.915811 Ir\n0.468030 0.849759 0.415811 Ir\n0.531970 0.381728 0.084189 Ir\n0.215333 0.929603 0.539472 N\n0.784667 0.714270 0.960528 N\n0.784667 0.070397 0.460528 N\n0.215333 0.285730 0.039472 N\n0.664844 0.268603 0.924154 N\n0.335156 0.603760 0.575846 N\n0.335156 0.731397 0.075846 N\n0.664844 0.396240 0.424154 N\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Ir-N-Sr",
"density": 7.861606863074205,
"density_atomic": 0.0605830693916891,
"volume": 297.1127112035904,
"volume_molar": 9.940303158073613,
"formula_full": "Sr6 Ir4 N8",
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"updated_at": "2021-11-28T01:36:56.987000Z",
"spacegroup": 15
},
{
"id": "mp-779164",
"created_at": "2022-09-04T14:45:12.678059Z",
"structure_string": "Li4 Fe2 Ni3 Te3 O16\n1.0\n6.115848 0.000000 0.000000\n-2.982586 -5.378456 0.000000\n-0.150492 0.027086 -9.724789\nLi Fe Ni Te O\n4 2 3 3 16\ndirect\n0.337329 0.666719 0.123916 Li\n0.020281 0.980892 0.012764 Li\n0.004942 0.981694 0.492692 Li\n0.686450 0.334543 0.595953 Li\n0.316844 0.681767 0.491437 Fe\n0.626579 0.337731 0.028821 Fe\n0.176117 0.836381 0.785672 Ni\n0.825271 0.663440 0.284561 Ni\n0.335632 0.174251 0.287409 Ni\n0.664394 0.829227 0.784073 Te\n0.167765 0.340413 0.782657 Te\n0.826380 0.172928 0.285678 Te\n0.674668 0.864081 0.400806 O\n0.512939 0.536587 0.659381 O\n0.362741 0.687530 0.899294 O\n0.975790 0.975016 0.679688 O\n0.986162 0.011007 0.193243 O\n0.139019 0.324206 0.403611 O\n0.501158 0.963752 0.664559 O\n0.048537 0.527526 0.653616 O\n0.818644 0.130830 0.898436 O\n0.167094 0.838860 0.398389 O\n0.955835 0.459830 0.157853 O\n0.529956 0.037201 0.163326 O\n0.677058 0.329454 0.394410 O\n0.822872 0.679218 0.897970 O\n0.511020 0.483140 0.160829 O\n0.328822 0.152074 0.911115 O\n",
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"elements": [
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"density": 4.953939814159677,
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"formula_full": "Li4 Fe2 Ni3 Te3 O16",
"formula_reduced": "Li4Fe2Ni3Te3O16",
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"spacegroup": 1
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{
"id": "mp-721689",
"created_at": "2022-09-04T14:45:12.679070Z",
"structure_string": "Fe6 P4 H16 O24\n1.0\n4.722907 0.000000 0.000000\n0.000000 9.393508 0.000000\n0.000000 1.914736 10.511002\nFe P H O\n6 4 16 24\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.430281 0.670665 0.672126 Fe\n0.930281 0.329335 0.827874 Fe\n0.569719 0.329335 0.327874 Fe\n0.069719 0.670665 0.172126 Fe\n0.531437 0.762549 0.951971 P\n0.031437 0.237451 0.548029 P\n0.468563 0.237451 0.048029 P\n0.968563 0.762549 0.451971 P\n0.069992 0.938517 0.646422 H\n0.569992 0.061483 0.853578 H\n0.930008 0.061483 0.353578 H\n0.430008 0.938517 0.146422 H\n0.289514 0.909204 0.763707 H\n0.789514 0.090796 0.736293 H\n0.710486 0.090796 0.236293 H\n0.210486 0.909204 0.263707 H\n0.937736 0.609056 0.830449 H\n0.437736 0.390944 0.669551 H\n0.062264 0.390944 0.169551 H\n0.562264 0.609056 0.330449 H\n0.215289 0.555097 0.907017 H\n0.715289 0.444903 0.592983 H\n0.784711 0.444903 0.092983 H\n0.284711 0.555097 0.407017 H\n0.718956 0.801485 0.534750 O\n0.218956 0.198515 0.965250 O\n0.281044 0.198515 0.465250 O\n0.781044 0.801485 0.034750 O\n0.347688 0.902317 0.906583 O\n0.847688 0.097683 0.593417 O\n0.652312 0.097683 0.093417 O\n0.152312 0.902317 0.406583 O\n0.646936 0.709538 0.831752 O\n0.146936 0.290462 0.668248 O\n0.353064 0.290462 0.168248 O\n0.853064 0.709538 0.331752 O\n0.151542 0.642035 0.531414 O\n0.651542 0.357965 0.968586 O\n0.848458 0.357965 0.468586 O\n0.348458 0.642035 0.031414 O\n0.259951 0.897774 0.671069 O\n0.759951 0.102226 0.828931 O\n0.740049 0.102226 0.328931 O\n0.240049 0.897774 0.171069 O\n0.110000 0.545485 0.827712 O\n0.610000 0.454515 0.672288 O\n0.890000 0.454515 0.172288 O\n0.390000 0.545485 0.327712 O\n",
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"formula_full": "Fe6 P4 H16 O24",
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{
"id": "mp-773507",
"created_at": "2022-09-04T14:45:12.683080Z",
"structure_string": "Mn3 Ni3 P6 O24\n1.0\n7.390165 -4.318526 0.000000\n7.390165 4.318526 0.000000\n4.866586 0.000000 7.041346\nMn Ni P O\n3 3 6 24\ndirect\n0.001994 0.001994 0.001994 Mn\n0.857490 0.857490 0.857490 Mn\n0.499892 0.499892 0.499892 Mn\n0.357478 0.357478 0.357478 Ni\n0.142987 0.142987 0.142987 Ni\n0.642409 0.642409 0.642409 Ni\n0.460821 0.749785 0.042865 P\n0.749785 0.042865 0.460821 P\n0.042865 0.460821 0.749785 P\n0.955261 0.541378 0.249211 P\n0.249211 0.955261 0.541378 P\n0.541378 0.249211 0.955261 P\n0.684719 0.890747 0.490005 O\n0.890747 0.490005 0.684719 O\n0.490005 0.684719 0.890747 O\n0.264488 0.913042 0.053968 O\n0.621578 0.812495 0.003417 O\n0.446748 0.592277 0.242204 O\n0.913042 0.053968 0.264488 O\n0.592277 0.242204 0.446748 O\n0.985151 0.386084 0.189428 O\n0.242204 0.446748 0.592277 O\n0.939600 0.742569 0.083525 O\n0.189428 0.985151 0.386084 O\n0.812495 0.003417 0.621578 O\n0.053968 0.264488 0.913042 O\n0.754375 0.561162 0.407538 O\n0.003417 0.621578 0.812495 O\n0.407537 0.754375 0.561162 O\n0.083525 0.939600 0.742569 O\n0.561162 0.407538 0.754375 O\n0.386084 0.189428 0.985151 O\n0.742569 0.083525 0.939600 O\n0.515069 0.309685 0.108559 O\n0.108559 0.515069 0.309685 O\n0.309685 0.108559 0.515069 O\n",
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{
"id": "mp-1186483",
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"structure_string": "Pm4 Mg2\n1.0\n1.897974 -8.761986 0.000000\n1.897974 8.761986 0.000000\n0.000000 0.000000 5.595110\nPm Mg\n4 2\ndirect\n0.088874 0.911126 0.250000 Pm\n0.772342 0.227658 0.250000 Pm\n0.911126 0.088874 0.750000 Pm\n0.227658 0.772342 0.750000 Pm\n0.432876 0.567124 0.250000 Mg\n0.567124 0.432876 0.750000 Mg\n",
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{
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{
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{
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},
{
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"structure_string": "Na1 Hf2 Ti1 F11\n1.0\n3.446794 4.683568 0.000000\n-3.446794 4.683568 0.000000\n0.000000 3.652467 6.930365\nNa Hf Ti F\n1 2 1 11\ndirect\n0.005966 0.005966 0.000212 Na\n0.508043 0.508043 0.228955 Hf\n0.511242 0.511242 0.762508 Hf\n0.009825 0.009825 0.497793 Ti\n0.782601 0.207866 0.305518 F\n0.207866 0.782601 0.305518 F\n0.230740 0.805917 0.691260 F\n0.805917 0.230740 0.691260 F\n0.743422 0.743422 0.074894 F\n0.275372 0.275372 0.876871 F\n0.756393 0.756393 0.643513 F\n0.262424 0.262424 0.361057 F\n0.668868 0.334694 0.999984 F\n0.334694 0.668868 0.999984 F\n0.536528 0.536528 0.479572 F\n",
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}
]
}