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{
"id": "mp-1198913",
"created_at": "2022-09-04T14:40:16.958481Z",
"structure_string": "Rb4 Yb4 P16 O48\n1.0\n9.032237 0.000000 0.000000\n0.000000 10.494059 0.000000\n0.000000 7.306308 10.729234\nRb Yb P O\n4 4 16 48\ndirect\n0.435791 0.268498 0.541617 Rb\n0.064209 0.268498 0.041617 Rb\n0.564209 0.731502 0.458383 Rb\n0.935791 0.731502 0.958383 Rb\n0.728748 0.184307 0.817436 Yb\n0.771252 0.184307 0.317436 Yb\n0.271252 0.815693 0.182564 Yb\n0.228748 0.815693 0.682564 Yb\n0.327082 0.176011 0.866561 P\n0.172918 0.176011 0.366561 P\n0.672918 0.823989 0.133439 P\n0.827082 0.823989 0.633439 P\n0.592223 0.888829 0.757892 P\n0.907777 0.888829 0.257892 P\n0.407777 0.111171 0.242108 P\n0.092223 0.111171 0.742108 P\n0.525605 0.526892 0.220477 P\n0.974395 0.526892 0.720477 P\n0.474395 0.473108 0.779523 P\n0.025605 0.473108 0.279523 P\n0.891343 0.302700 0.523771 P\n0.608657 0.302700 0.023771 P\n0.108657 0.697300 0.476229 P\n0.391343 0.697300 0.976229 P\n0.256979 0.072581 0.991317 O\n0.243021 0.072581 0.491317 O\n0.743021 0.927419 0.008683 O\n0.756979 0.927419 0.508683 O\n0.209156 0.219938 0.755179 O\n0.290844 0.219938 0.255179 O\n0.790844 0.780062 0.244821 O\n0.709156 0.780062 0.744821 O\n0.469466 0.131230 0.835205 O\n0.030534 0.131230 0.335205 O\n0.530534 0.868770 0.164795 O\n0.969466 0.868770 0.664795 O\n0.460930 0.925219 0.675304 O\n0.039070 0.925219 0.175304 O\n0.539070 0.074781 0.324696 O\n0.960930 0.074781 0.824696 O\n0.675866 0.019857 0.745336 O\n0.824134 0.019857 0.245336 O\n0.324134 0.980143 0.254664 O\n0.175866 0.980143 0.754664 O\n0.416262 0.571751 0.281936 O\n0.083738 0.571751 0.781936 O\n0.583738 0.428249 0.718064 O\n0.916262 0.428249 0.218064 O\n0.657714 0.655130 0.156846 O\n0.842286 0.655130 0.656846 O\n0.342286 0.344870 0.843154 O\n0.157714 0.344870 0.343154 O\n0.830496 0.202482 0.485256 O\n0.669504 0.202482 0.985256 O\n0.169504 0.797518 0.514744 O\n0.330496 0.797518 0.014744 O\n0.787343 0.339730 0.593653 O\n0.712657 0.339730 0.093653 O\n0.212657 0.660270 0.406347 O\n0.287343 0.660270 0.906347 O\n0.953701 0.459467 0.401072 O\n0.546299 0.459467 0.901072 O\n0.046299 0.540533 0.598928 O\n0.453701 0.540533 0.098928 O\n0.907449 0.369357 0.798902 O\n0.592551 0.369357 0.298902 O\n0.092551 0.630643 0.201098 O\n0.407449 0.630643 0.701098 O\n0.046853 0.233583 0.597721 O\n0.453147 0.233583 0.097721 O\n0.953147 0.766417 0.402279 O\n0.546853 0.766417 0.902279 O\n",
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"volume": 1016.968599046985,
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"formula_full": "Rb4 Yb4 P16 O48",
"formula_reduced": "RbYb(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -530.2587116899999,
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"updated_at": "2021-11-28T01:34:53.201000Z",
"spacegroup": 14
},
{
"id": "mp-771946",
"created_at": "2022-09-04T14:40:16.960845Z",
"structure_string": "Mn3 Co3 Te2 O16\n1.0\n2.869984 4.935570 0.000000\n-2.869984 4.935570 0.000000\n0.000000 0.015065 9.353138\nMn Co Te O\n3 3 2 16\ndirect\n0.166146 0.166146 0.214374 Mn\n0.829036 0.337634 0.716777 Mn\n0.337634 0.829036 0.716777 Mn\n0.660130 0.168127 0.216276 Co\n0.168127 0.660130 0.216276 Co\n0.827285 0.827285 0.712457 Co\n0.333849 0.333849 0.489128 Te\n0.670913 0.670913 0.998465 Te\n0.677047 0.159161 0.598158 O\n0.483229 0.483229 0.329059 O\n0.331367 0.331367 0.111123 O\n0.999140 0.999140 0.313045 O\n0.998518 0.998518 0.811398 O\n0.159161 0.677047 0.598158 O\n0.486291 0.030197 0.335773 O\n0.030197 0.486291 0.335773 O\n0.846548 0.846548 0.100721 O\n0.163009 0.163009 0.597397 O\n0.970615 0.512299 0.829483 O\n0.512299 0.970615 0.829483 O\n0.662212 0.662212 0.609345 O\n0.840962 0.317403 0.102301 O\n0.514120 0.514120 0.833195 O\n0.317403 0.840962 0.102301 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.09057474344148894,
"volume": 264.97452919095423,
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"formula_full": "Mn3 Co3 Te2 O16",
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"energy": -169.16762517,
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"updated_at": "2021-11-28T01:34:49.590000Z",
"spacegroup": 8
},
{
"id": "mp-570607",
"created_at": "2022-09-04T14:40:16.961385Z",
"structure_string": "Dy20 C8 I36\n1.0\n17.456516 0.000000 0.000000\n0.000000 10.924814 0.000000\n0.000000 7.495562 12.156155\nDy C I\n20 8 36\ndirect\n0.446584 0.512877 0.747490 Dy\n0.179031 0.301777 0.553857 Dy\n0.654948 0.516894 0.783795 Dy\n0.539391 0.349744 0.033742 Dy\n0.946584 0.487123 0.752510 Dy\n0.820969 0.698223 0.446143 Dy\n0.039391 0.650256 0.466258 Dy\n0.460609 0.650256 0.966258 Dy\n0.057659 0.162542 0.800549 Dy\n0.679031 0.698223 0.946143 Dy\n0.442341 0.162542 0.300549 Dy\n0.845052 0.516894 0.283795 Dy\n0.154948 0.483106 0.716205 Dy\n0.557659 0.837458 0.699451 Dy\n0.942341 0.837458 0.199451 Dy\n0.553416 0.487123 0.252510 Dy\n0.320969 0.301777 0.053857 Dy\n0.345052 0.483106 0.216205 Dy\n0.960609 0.349744 0.533742 Dy\n0.053416 0.512877 0.247490 Dy\n0.469566 0.430415 0.162599 C\n0.084288 0.377331 0.616648 C\n0.530434 0.569585 0.837401 C\n0.584288 0.622669 0.883352 C\n0.030434 0.430415 0.662599 C\n0.415712 0.377331 0.116648 C\n0.969566 0.569585 0.337401 C\n0.915712 0.622669 0.383352 C\n0.434796 0.588999 0.345178 I\n0.180775 0.004549 0.749696 I\n0.058459 0.815821 0.043127 I\n0.807129 0.594015 0.857924 I\n0.303058 0.594954 0.832654 I\n0.692871 0.594015 0.357924 I\n0.682955 0.799464 0.560523 I\n0.433791 0.201490 0.943756 I\n0.317045 0.200536 0.439477 I\n0.192871 0.405985 0.142076 I\n0.441541 0.815821 0.543127 I\n0.196942 0.594954 0.332654 I\n0.826617 0.219081 0.466479 I\n0.803058 0.405046 0.667346 I\n0.673383 0.219081 0.966479 I\n0.941541 0.184179 0.956873 I\n0.937363 0.036258 0.734290 I\n0.934796 0.411001 0.154822 I\n0.062637 0.963742 0.265710 I\n0.173383 0.780919 0.533521 I\n0.562637 0.036258 0.234290 I\n0.817045 0.799464 0.060523 I\n0.326617 0.780919 0.033521 I\n0.307129 0.405985 0.642076 I\n0.182955 0.200536 0.939477 I\n0.565204 0.411001 0.654822 I\n0.319225 0.004549 0.249696 I\n0.558459 0.184179 0.456873 I\n0.566209 0.798510 0.056244 I\n0.933791 0.798510 0.556244 I\n0.680775 0.995451 0.750304 I\n0.066209 0.201490 0.443756 I\n0.065204 0.588999 0.845178 I\n0.819225 0.995451 0.250304 I\n0.437363 0.963742 0.765710 I\n0.696942 0.405046 0.167346 I\n",
"nsites": 64,
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],
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"density": 5.669082398394276,
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"volume": 2318.2904782813303,
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"formula_full": "Dy20 C8 I36",
"formula_reduced": "Dy5C2I9",
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"energy": -312.5232226,
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"spacegroup": 14
},
{
"id": "mp-36029",
"created_at": "2022-09-04T14:40:16.963987Z",
"structure_string": "Er2 Ag2 S4\n1.0\n-2.692749 2.692749 6.062164\n2.692749 -2.692749 6.062164\n2.692749 2.692749 -6.062164\nEr Ag S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Er\n0.250000 0.750000 0.500000 Er\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.724671 0.724671 0.000000 S\n0.025329 0.525329 0.500000 S\n0.474671 0.974671 0.500000 S\n0.275329 0.275329 0.000000 S\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.408092136224047,
"density_atomic": 0.04549991317587522,
"volume": 175.8245113364684,
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"formula_full": "Er2 Ag2 S4",
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},
{
"id": "mp-1179711",
"created_at": "2022-09-04T14:40:16.968869Z",
"structure_string": "Rb2 Sn4 P6 O24\n1.0\n8.482180 -4.228312 0.000000\n8.482180 4.228312 0.000000\n6.374394 0.000000 7.013779\nRb Sn P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.350227 0.350227 0.350227 Sn\n0.649773 0.649773 0.649773 Sn\n0.844566 0.844566 0.844566 Sn\n0.155434 0.155434 0.155434 Sn\n0.248202 0.962114 0.538188 P\n0.538188 0.248202 0.962114 P\n0.962114 0.538188 0.248202 P\n0.751798 0.037886 0.461812 P\n0.461812 0.751798 0.037886 P\n0.037886 0.461812 0.751798 P\n0.043528 0.968350 0.679225 O\n0.679225 0.043528 0.968350 O\n0.968350 0.679225 0.043528 O\n0.956472 0.031650 0.320775 O\n0.320775 0.956472 0.031650 O\n0.031650 0.320775 0.956472 O\n0.262017 0.126355 0.521198 O\n0.521198 0.262017 0.126355 O\n0.126355 0.521198 0.262017 O\n0.737983 0.873645 0.478802 O\n0.478802 0.737983 0.873645 O\n0.873645 0.478802 0.737983 O\n0.394488 0.771501 0.621133 O\n0.621133 0.394488 0.771501 O\n0.771501 0.621133 0.394488 O\n0.605512 0.228499 0.378867 O\n0.378867 0.605512 0.228499 O\n0.228499 0.378867 0.605512 O\n0.291904 0.973135 0.346106 O\n0.346106 0.291904 0.973135 O\n0.973135 0.346106 0.291904 O\n0.708096 0.026865 0.653894 O\n0.653894 0.708096 0.026865 O\n0.026865 0.653894 0.708096 O\n",
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"formula_full": "Rb2 Sn4 P6 O24",
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"spacegroup": 148
},
{
"id": "mp-1222194",
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"structure_string": "Mn29 H2\n1.0\n6.121249 4.336358 0.000000\n-6.121249 4.336358 0.000000\n0.000000 4.327437 6.118817\nMn H\n29 2\ndirect\n0.000014 0.000014 0.000095 Mn\n0.821517 0.628407 0.372201 Mn\n0.628407 0.821517 0.372201 Mn\n0.627387 0.627387 0.177671 Mn\n0.179206 0.806573 0.192523 Mn\n0.371591 0.999102 0.808787 Mn\n0.373032 0.194835 0.000040 Mn\n0.000555 0.191794 0.627533 Mn\n0.191794 0.000555 0.627533 Mn\n0.805645 0.805645 0.821221 Mn\n0.999102 0.371591 0.808787 Mn\n0.806573 0.179206 0.192523 Mn\n0.194835 0.373032 0.000040 Mn\n0.295737 0.615571 0.384556 Mn\n0.615571 0.295737 0.384556 Mn\n0.611623 0.611623 0.710960 Mn\n0.704356 0.319955 0.680242 Mn\n0.387264 0.000024 0.319513 Mn\n0.388300 0.677304 0.000080 Mn\n0.999885 0.680140 0.612917 Mn\n0.680140 0.999885 0.612917 Mn\n0.322939 0.322939 0.288724 Mn\n0.000024 0.387264 0.319513 Mn\n0.319955 0.704356 0.680242 Mn\n0.677304 0.388300 0.000080 Mn\n0.361566 0.361566 0.638983 Mn\n0.638168 0.999357 0.000375 Mn\n0.000109 0.000109 0.361058 Mn\n0.999357 0.638168 0.000375 Mn\n0.999934 0.460111 0.539877 H\n0.460111 0.999934 0.539877 H\n",
"nsites": 31,
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"elements": [
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],
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"formula_full": "Mn29 H2",
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"spacegroup": 8
},
{
"id": "mp-1038041",
"created_at": "2022-09-04T14:40:16.971057Z",
"structure_string": "Cs1 Mg30 Mn1 O32\n1.0\n8.693829 0.000000 0.000000\n0.000000 8.693829 0.000000\n0.000000 0.000000 8.615017\nCs Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Cs\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259236 0.000000 0.248259 Mg\n0.259236 0.000000 0.751741 Mg\n0.740764 0.000000 0.248259 Mg\n0.740764 0.000000 0.751741 Mg\n0.250927 0.500000 0.250349 Mg\n0.250927 0.500000 0.749651 Mg\n0.749073 0.500000 0.250349 Mg\n0.749073 0.500000 0.749651 Mg\n0.000000 0.259236 0.248259 Mg\n0.000000 0.259236 0.751741 Mg\n0.500000 0.250927 0.250349 Mg\n0.500000 0.250927 0.749651 Mg\n0.000000 0.740764 0.248259 Mg\n0.000000 0.740764 0.751741 Mg\n0.500000 0.749073 0.250349 Mg\n0.500000 0.749073 0.749651 Mg\n0.251174 0.251174 0.000000 Mg\n0.255208 0.255208 0.500000 Mg\n0.748826 0.251174 0.000000 Mg\n0.744792 0.255208 0.500000 Mg\n0.251174 0.748826 0.000000 Mg\n0.255208 0.744792 0.500000 Mg\n0.748826 0.748826 0.000000 Mg\n0.744792 0.744792 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.252823 0.000000 O\n0.000000 0.284969 0.500000 O\n0.500000 0.250978 0.000000 O\n0.500000 0.257095 0.500000 O\n0.000000 0.747177 0.000000 O\n0.000000 0.715031 0.500000 O\n0.500000 0.749022 0.000000 O\n0.500000 0.742905 0.500000 O\n0.248831 0.248831 0.249845 O\n0.248831 0.248831 0.750155 O\n0.751169 0.248831 0.249845 O\n0.751169 0.248831 0.750155 O\n0.248831 0.751169 0.249845 O\n0.248831 0.751169 0.750155 O\n0.751169 0.751169 0.249845 O\n0.751169 0.751169 0.750155 O\n0.000000 0.000000 0.212891 O\n0.000000 0.000000 0.787109 O\n0.500000 0.000000 0.241578 O\n0.500000 0.000000 0.758422 O\n0.000000 0.500000 0.241578 O\n0.000000 0.500000 0.758422 O\n0.500000 0.500000 0.247219 O\n0.500000 0.500000 0.752781 O\n0.252823 0.000000 0.000000 O\n0.284969 0.000000 0.500000 O\n0.747177 0.000000 0.000000 O\n0.715031 0.000000 0.500000 O\n0.250978 0.500000 0.000000 O\n0.257095 0.500000 0.500000 O\n0.749022 0.500000 0.000000 O\n0.742905 0.500000 0.500000 O\n",
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