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{
"id": "mp-1097411",
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{
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{
"id": "mp-1012678",
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"structure_string": "Na2 Mo6 P6 O26\n1.0\n6.681944 0.000000 0.000000\n0.000000 7.630287 0.000000\n0.000000 1.710108 10.772812\nNa Mo P O\n2 6 6 26\ndirect\n0.750000 0.345522 0.190160 Na\n0.250000 0.654478 0.809840 Na\n0.250000 0.646097 0.206029 Mo\n0.750000 0.353903 0.793971 Mo\n0.250000 0.233510 0.448167 Mo\n0.500000 0.000000 0.000000 Mo\n0.750000 0.766490 0.551833 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.783803 0.487458 P\n0.750000 0.216197 0.512542 P\n0.250000 0.252219 0.768870 P\n0.750000 0.747781 0.231130 P\n0.750000 0.684859 0.880634 P\n0.250000 0.315141 0.119366 P\n0.750000 0.644178 0.742902 O\n0.565433 0.255813 0.428273 O\n0.250000 0.184737 0.644968 O\n0.556677 0.783547 0.902802 O\n0.750000 0.350201 0.609263 O\n0.750000 0.128945 0.901269 O\n0.250000 0.649799 0.390737 O\n0.056677 0.216453 0.097198 O\n0.250000 0.972852 0.411728 O\n0.750000 0.027148 0.588272 O\n0.066420 0.365712 0.790801 O\n0.250000 0.871055 0.098731 O\n0.566420 0.634288 0.209199 O\n0.750000 0.489808 0.949238 O\n0.750000 0.815263 0.355032 O\n0.443323 0.216453 0.097198 O\n0.934567 0.255813 0.428273 O\n0.434567 0.744187 0.571727 O\n0.433580 0.365712 0.790801 O\n0.250000 0.355822 0.257098 O\n0.750000 0.918046 0.124862 O\n0.250000 0.081954 0.875138 O\n0.933580 0.634288 0.209199 O\n0.943323 0.783547 0.902802 O\n0.065433 0.744187 0.571727 O\n0.250000 0.510192 0.050762 O\n",
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{
"id": "mp-504966",
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"structure_string": "Ba8 Y8 Cu4 Pt4 O32\n1.0\n5.749990 0.000000 0.000000\n0.000000 10.448633 0.000000\n0.000000 0.000000 13.381043\nBa Y Cu Pt O\n8 8 4 4 32\ndirect\n0.750000 0.186297 0.293055 Ba\n0.750000 0.591328 0.577185 Ba\n0.250000 0.408672 0.422815 Ba\n0.750000 0.313703 0.793055 Ba\n0.250000 0.686297 0.206945 Ba\n0.750000 0.908672 0.077185 Ba\n0.250000 0.813703 0.706945 Ba\n0.250000 0.091328 0.922815 Ba\n0.250000 0.311836 0.142184 Y\n0.250000 0.014066 0.416759 Y\n0.750000 0.811836 0.357816 Y\n0.750000 0.688164 0.857816 Y\n0.250000 0.188164 0.642184 Y\n0.250000 0.485934 0.916759 Y\n0.750000 0.514066 0.083241 Y\n0.750000 0.985934 0.583241 Y\n0.750000 0.232041 0.038969 Cu\n0.750000 0.267959 0.538969 Cu\n0.250000 0.767959 0.961031 Cu\n0.250000 0.732041 0.461031 Cu\n0.750000 0.532286 0.306538 Pt\n0.750000 0.967714 0.806538 Pt\n0.250000 0.032286 0.193462 Pt\n0.250000 0.467714 0.693462 Pt\n0.007130 0.636957 0.992845 O\n0.493490 0.361946 0.614152 O\n0.750000 0.814176 0.704063 O\n0.992870 0.136957 0.507155 O\n0.506510 0.861946 0.885848 O\n0.750000 0.391185 0.411394 O\n0.006510 0.138054 0.114152 O\n0.750000 0.685824 0.204063 O\n0.509237 0.443434 0.217167 O\n0.490763 0.943434 0.282833 O\n0.992870 0.363043 0.007155 O\n0.493490 0.138054 0.114152 O\n0.250000 0.314176 0.795937 O\n0.009237 0.556566 0.782833 O\n0.507130 0.363043 0.007155 O\n0.990763 0.443434 0.217167 O\n0.250000 0.608815 0.588606 O\n0.509237 0.056566 0.717167 O\n0.006510 0.361946 0.614152 O\n0.492870 0.863043 0.492845 O\n0.009237 0.943434 0.282833 O\n0.990763 0.056566 0.717167 O\n0.993490 0.638054 0.385848 O\n0.993490 0.861946 0.885848 O\n0.507130 0.136957 0.507155 O\n0.506510 0.638054 0.385848 O\n0.490763 0.556566 0.782833 O\n0.007130 0.863043 0.492845 O\n0.750000 0.108815 0.911394 O\n0.492870 0.636957 0.992845 O\n0.250000 0.185824 0.295937 O\n0.250000 0.891185 0.088606 O\n",
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{
"id": "mp-1105175",
"created_at": "2022-09-04T14:43:33.857277Z",
"structure_string": "La2 Cr2 Te2 O12\n1.0\n-2.624623 -4.546258 0.000062\n-2.624985 4.546467 -0.000252\n-0.000656 0.000075 -10.436728\nLa Cr Te O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.333307 0.666666 0.249984 Cr\n0.666693 0.333334 0.750016 Cr\n0.333361 0.666655 0.749998 Te\n0.666639 0.333345 0.250002 Te\n0.374788 0.364871 0.144815 O\n0.635225 0.010065 0.144804 O\n0.990095 0.625340 0.144807 O\n0.625212 0.635129 0.855185 O\n0.364775 0.989935 0.855196 O\n0.009905 0.374660 0.855193 O\n0.635169 0.625240 0.355166 O\n0.374739 0.009959 0.355139 O\n0.990027 0.364808 0.355137 O\n0.364831 0.374760 0.644834 O\n0.625261 0.990041 0.644861 O\n0.009973 0.635192 0.644863 O\n",
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{
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{
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{
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"updated_at": "2021-11-28T01:36:22.865000Z",
"spacegroup": 31
},
{
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"created_at": "2022-09-04T14:43:33.919223Z",
"structure_string": "Na1 Li1 V4 O12\n1.0\n3.741850 -3.738744 0.000000\n3.741850 3.738744 0.000000\n0.000000 0.000000 7.485600\nNa Li V O\n1 1 4 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 0.249489 V\n0.000000 0.500000 0.750511 V\n0.500000 0.000000 0.249489 V\n0.500000 0.000000 0.750511 V\n0.240255 0.240255 0.249858 O\n0.240255 0.240255 0.750142 O\n0.759745 0.759745 0.249858 O\n0.759745 0.759745 0.750142 O\n0.739281 0.260719 0.248947 O\n0.739281 0.260719 0.751053 O\n0.260719 0.739281 0.248947 O\n0.260719 0.739281 0.751053 O\n0.000000 0.500000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"elements": [
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"V",
"O"
],
"chemical_system": "Li-Na-O-V",
"density": 3.3749969997791323,
"density_atomic": 0.08594167028702755,
"volume": 209.4443817519917,
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"formula_full": "Na1 Li1 V4 O12",
"formula_reduced": "NaLiV4O12",
"formula_anonymous": "ABC4D12",
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"updated_at": "2021-11-28T01:36:22.079000Z",
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{
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"structure_string": "Rb2 V4 I6 O26\n1.0\n-4.084721 5.293784 7.015107\n4.084721 -5.293784 7.015107\n4.084721 5.293784 -7.015107\nRb V I O\n2 4 6 26\ndirect\n0.140843 0.055949 0.696791 Rb\n0.859157 0.555949 0.915106 Rb\n0.888704 0.157683 0.303594 V\n0.354089 0.657683 0.268979 V\n0.111296 0.414890 0.268979 V\n0.645911 0.914890 0.303594 V\n0.234664 0.046469 0.299526 I\n0.246943 0.546469 0.811805 I\n0.527717 0.281302 0.309019 I\n0.472283 0.781302 0.753586 I\n0.753057 0.564862 0.299526 I\n0.765336 0.064862 0.811805 I\n0.446125 0.711675 0.959807 O\n0.734956 0.956691 0.191648 O\n0.590278 0.487456 0.577734 O\n0.472884 0.803992 0.574044 O\n0.283009 0.484352 0.971080 O\n0.729947 0.303992 0.331107 O\n0.694664 0.269157 0.902192 O\n0.500000 0.829152 0.329152 O\n0.986728 0.188071 0.971080 O\n0.553875 0.513682 0.265550 O\n0.265044 0.456691 0.221735 O\n0.212467 0.760707 0.275659 O\n0.305336 0.207528 0.574493 O\n0.787533 0.063192 0.548241 O\n0.000000 0.329152 0.329152 O\n0.014951 0.563192 0.275659 O\n0.251868 0.211675 0.265550 O\n0.013272 0.984352 0.201343 O\n0.866965 0.769157 0.574493 O\n0.133035 0.707528 0.902192 O\n0.748132 0.013682 0.959807 O\n0.409722 0.987456 0.897178 O\n0.527116 0.101160 0.331107 O\n0.985049 0.260707 0.548241 O\n0.270053 0.601160 0.574044 O\n0.716991 0.688071 0.201343 O\n",
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"elements": [
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],
"chemical_system": "I-O-Rb-V",
"density": 4.247657366100454,
"density_atomic": 0.06262686765092322,
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"formula_full": "Rb2 V4 I6 O26",
"formula_reduced": "RbV2I3O13",
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"energy": -233.13633933,
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"updated_at": "2021-11-28T01:36:26.648000Z",
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}
]
}