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{
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{
"id": "mp-849278",
"created_at": "2022-09-04T14:40:54.213836Z",
"structure_string": "Fe1 Ni3 Sn2 P6 O24\n1.0\n7.304610 -4.350026 0.000000\n7.304610 4.350026 0.000000\n4.714092 0.000000 7.075124\nFe Ni Sn P O\n1 3 2 6 24\ndirect\n0.850508 0.850508 0.850508 Fe\n0.147624 0.147624 0.147624 Ni\n0.353359 0.353359 0.353359 Ni\n0.646564 0.646564 0.646564 Ni\n0.001251 0.001251 0.001251 Sn\n0.500321 0.500321 0.500321 Sn\n0.452838 0.749041 0.045884 P\n0.749041 0.045884 0.452838 P\n0.953834 0.546214 0.250675 P\n0.250675 0.953834 0.546214 P\n0.546214 0.250675 0.953834 P\n0.045884 0.452838 0.749041 P\n0.512740 0.321423 0.102718 O\n0.102718 0.512740 0.321423 O\n0.249564 0.904559 0.066643 O\n0.321423 0.102718 0.512740 O\n0.604916 0.824232 0.003602 O\n0.438033 0.596359 0.249903 O\n0.904559 0.066643 0.249564 O\n0.596359 0.249903 0.438033 O\n0.989190 0.397926 0.178094 O\n0.249903 0.438033 0.596359 O\n0.933731 0.752243 0.092915 O\n0.178094 0.989190 0.397926 O\n0.824232 0.003602 0.604916 O\n0.066643 0.249564 0.904559 O\n0.748410 0.568150 0.403055 O\n0.003602 0.604916 0.824232 O\n0.403055 0.748410 0.568150 O\n0.092915 0.933731 0.752243 O\n0.568150 0.403055 0.748410 O\n0.397926 0.178094 0.989190 O\n0.676393 0.897688 0.489398 O\n0.752243 0.092915 0.933731 O\n0.897688 0.489398 0.676393 O\n0.489398 0.676393 0.897688 O\n",
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"formula_full": "Fe1 Ni3 Sn2 P6 O24",
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"updated_at": "2021-11-28T01:34:59.331000Z",
"spacegroup": 146
},
{
"id": "mp-1275904",
"created_at": "2022-09-04T14:45:52.772185Z",
"structure_string": "Li6 Cr2 Co4 O12\n1.0\n-0.015726 -1.591981 2.504385\n-3.484901 -4.145790 -2.415112\n8.377438 -8.131707 -4.833601\nLi Cr Co O\n6 2 4 12\ndirect\n0.498017 0.669183 0.165963 Li\n0.998299 0.169130 0.667251 Li\n0.491604 0.004803 0.496178 Li\n0.993469 0.501820 0.995944 Li\n0.000002 0.834689 0.336508 Li\n0.504180 0.332782 0.836323 Li\n0.498660 0.168656 0.165937 Cr\n0.001479 0.668297 0.666955 Cr\n0.509734 0.505986 0.497579 Co\n0.998815 0.001969 0.997850 Co\n0.490734 0.831725 0.835679 Co\n0.993927 0.334909 0.333853 Co\n0.540557 0.234335 0.003882 O\n0.004420 0.739836 0.503666 O\n0.455452 0.101626 0.328760 O\n0.998539 0.597237 0.829679 O\n0.981404 0.395697 0.175422 O\n0.487379 0.900078 0.672885 O\n0.009827 0.940152 0.156309 O\n0.514638 0.437602 0.661090 O\n0.532201 0.570209 0.337225 O\n0.984260 0.067179 0.841086 O\n0.005031 0.271541 0.491319 O\n0.454950 0.763408 0.995127 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.388142067169335,
"density_atomic": 0.11061462952893206,
"volume": 216.96949221099752,
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"formula_full": "Li6 Cr2 Co4 O12",
"formula_reduced": "Li3Cr(CoO3)2",
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"energy": -164.47462982000002,
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"spacegroup": 2
},
{
"id": "mp-1193831",
"created_at": "2022-09-04T14:41:27.698616Z",
"structure_string": "Co2 Si2 N10 Cl2 F12\n1.0\n6.772365 0.000000 0.000000\n0.000000 7.381283 0.000000\n0.000000 1.826377 10.536248\nCo Si N Cl F\n2 2 10 2 12\ndirect\n0.750000 0.851906 0.926322 Co\n0.250000 0.148094 0.073678 Co\n0.750000 0.664105 0.704559 Si\n0.250000 0.335895 0.295441 Si\n0.750000 0.739829 0.379759 N\n0.250000 0.260171 0.620241 N\n0.925697 0.742173 0.379413 N\n0.425697 0.257827 0.620587 N\n0.074303 0.257827 0.620587 N\n0.574303 0.742173 0.379413 N\n0.832520 0.572800 0.106568 N\n0.332520 0.427200 0.893432 N\n0.167480 0.427200 0.893432 N\n0.667480 0.572800 0.106568 N\n0.750000 0.083835 0.021687 Cl\n0.250000 0.916165 0.978313 Cl\n0.750000 0.472719 0.810453 F\n0.250000 0.527281 0.189547 F\n0.750000 0.876844 0.623502 F\n0.250000 0.123156 0.376498 F\n0.929388 0.755781 0.816381 F\n0.429388 0.244219 0.183619 F\n0.070612 0.244219 0.183619 F\n0.570612 0.755781 0.816381 F\n0.937576 0.598000 0.621637 F\n0.437576 0.402000 0.378363 F\n0.062424 0.402000 0.378363 F\n0.562424 0.598000 0.621637 F\n",
"nsites": 28,
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"elements": [
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"N",
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],
"chemical_system": "Cl-Co-F-N-Si",
"density": 1.932614171898139,
"density_atomic": 0.053161819157765994,
"volume": 526.6937897084679,
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"formula_full": "Co2 Si2 N10 Cl2 F12",
"formula_reduced": "CoSiN5ClF6",
"formula_anonymous": "ABCD5E6",
"energy": -171.81186336,
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"spacegroup": 11
},
{
"id": "mp-1647692",
"created_at": "2022-09-04T14:44:22.646081Z",
"structure_string": "Li4 Co4 C8 O24\n1.0\n1.190012 6.421319 -0.005151\n3.614982 -1.965908 9.632661\n6.504384 -1.732965 -3.719317\nLi Co C O\n4 4 8 24\ndirect\n0.317793 0.222152 0.324556 Li\n0.740775 0.751734 0.313622 Li\n0.546583 0.131678 0.820721 Li\n0.026833 0.644899 0.836947 Li\n0.466480 0.496374 0.004852 Co\n0.891780 0.345853 0.507780 Co\n0.940112 0.989048 0.005269 Co\n0.359650 0.822941 0.502210 Co\n0.730459 0.173342 0.210337 C\n0.301365 0.688523 0.213825 C\n0.266127 0.326200 0.721297 C\n0.742876 0.817558 0.717982 C\n0.576490 0.459637 0.298462 C\n0.078490 0.966822 0.299114 C\n0.774085 0.383495 0.799673 C\n0.258945 0.878855 0.799880 C\n0.752137 0.111308 0.051617 O\n0.273953 0.617001 0.059910 O\n0.165310 0.310594 0.560648 O\n0.645037 0.795401 0.557052 O\n0.124844 0.070856 0.225653 O\n0.638875 0.561292 0.219887 O\n0.898674 0.470610 0.741674 O\n0.396136 0.955847 0.738593 O\n0.421035 0.384346 0.216795 O\n0.922852 0.886346 0.216006 O\n0.744659 0.269691 0.704424 O\n0.202759 0.766095 0.705880 O\n0.575326 0.144005 0.290310 O\n0.185001 0.666790 0.338686 O\n0.304966 0.231534 0.795653 O\n0.764621 0.726762 0.807796 O\n0.880511 0.265781 0.271547 O\n0.446933 0.785345 0.245964 O\n0.317615 0.448025 0.786532 O\n0.815434 0.938873 0.771215 O\n0.666656 0.442470 0.444891 O\n0.174318 0.946927 0.440614 O\n0.686837 0.401826 0.943692 O\n0.180278 0.906768 0.945841 O\n",
"nsites": 40,
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"elements": [
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"C",
"O"
],
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"volume": 517.1935495870703,
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"formula_full": "Li4 Co4 C8 O24",
"formula_reduced": "LiCo(CO3)2",
"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1176155",
"created_at": "2022-09-04T14:43:36.401314Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.795038 -0.094530 1.861087\n1.982173 9.850770 0.622998\n-0.242817 -0.094368 5.932588\nLi Mn Co O\n9 2 5 16\ndirect\n0.998284 0.002910 0.500462 Li\n0.997106 0.258696 0.254686 Li\n0.509494 0.872405 0.625861 Li\n0.492123 0.124665 0.378509 Li\n0.003334 0.739698 0.744968 Li\n0.500658 0.621634 0.862038 Li\n0.003241 0.497633 0.001915 Li\n0.497203 0.381043 0.132959 Li\n0.999929 0.500798 0.499073 Li\n0.999161 0.001488 0.000037 Mn\n0.000887 0.745246 0.253509 Mn\n0.000272 0.251616 0.748842 Co\n0.499882 0.875974 0.123470 Co\n0.498787 0.125053 0.877300 Co\n0.503412 0.379296 0.620081 Co\n0.497196 0.621094 0.376451 Co\n0.771958 0.932978 0.299406 O\n0.773008 0.184587 0.042687 O\n0.254631 0.802387 0.406005 O\n0.281124 0.056930 0.173039 O\n0.764247 0.693507 0.543046 O\n0.276953 0.562484 0.669055 O\n0.754710 0.416640 0.803080 O\n0.245307 0.298578 0.916662 O\n0.227056 0.071321 0.702577 O\n0.243557 0.307235 0.470561 O\n0.716460 0.944614 0.830093 O\n0.755628 0.191405 0.594313 O\n0.225423 0.818947 0.951750 O\n0.746545 0.697946 0.092768 O\n0.240668 0.575556 0.184071 O\n0.721756 0.445637 0.320726 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
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{
"id": "mp-758901",
"created_at": "2022-09-04T14:47:24.221430Z",
"structure_string": "Li5 V5 O10\n1.0\n5.161662 0.000000 0.000000\n0.848308 5.146025 0.000000\n2.560073 2.173113 7.155631\nLi V O\n5 5 10\ndirect\n0.494696 0.779270 0.417978 Li\n0.505600 0.606737 0.779890 Li\n0.000000 0.500000 0.500000 Li\n0.505304 0.220730 0.582022 Li\n0.494400 0.393263 0.220110 Li\n0.500000 0.000000 0.000000 V\n0.004259 0.901362 0.691920 V\n0.995095 0.689555 0.113772 V\n0.004905 0.310445 0.886228 V\n0.995741 0.098638 0.308080 V\n0.230833 0.948633 0.865748 O\n0.762246 0.856882 0.548502 O\n0.760794 0.667520 0.951379 O\n0.244701 0.764689 0.239187 O\n0.222875 0.549098 0.668003 O\n0.777125 0.450902 0.331997 O\n0.755299 0.235311 0.760813 O\n0.239206 0.332480 0.048621 O\n0.237754 0.143118 0.451498 O\n0.769167 0.051367 0.134252 O\n",
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"formula_full": "Li5 V5 O10",
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{
"id": "mp-753465",
"created_at": "2022-09-04T14:42:02.442084Z",
"structure_string": "Li1 Ni5 O5 F1\n1.0\n2.967838 0.000000 0.000000\n0.000000 2.967838 0.000000\n0.000000 0.000000 12.747389\nLi Ni O F\n1 5 5 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.669800 Ni\n0.500000 0.500000 0.833004 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.166996 Ni\n0.000000 0.000000 0.330200 Ni\n0.500000 0.500000 0.666472 O\n0.000000 0.000000 0.833569 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.166431 O\n0.500000 0.500000 0.333528 O\n0.000000 0.000000 0.500000 F\n",
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"formula_full": "Li1 Ni5 O5 F1",
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{
"id": "mp-1290584",
"created_at": "2022-09-04T14:40:28.867414Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n-3.042201 1.744982 4.941447\n3.007315 -5.203689 -0.032133\n9.359799 1.959717 5.006755\nLi V Sn O\n4 6 2 16\ndirect\n0.931399 0.876385 0.180935 Li\n0.440543 0.881914 0.685741 Li\n0.559462 0.118096 0.314253 Li\n0.068610 0.123627 0.819068 Li\n0.500030 0.499991 0.999993 V\n0.500016 0.000049 0.999997 V\n0.500026 0.500018 0.500005 V\n0.000005 0.500014 0.500000 V\n0.999966 0.999956 0.500007 V\n0.999979 0.500006 0.999993 V\n0.758807 0.504405 0.749841 Sn\n0.241191 0.495583 0.250162 Sn\n0.871013 0.746474 0.401264 O\n0.361506 0.729926 0.899540 O\n0.638494 0.270074 0.100470 O\n0.128977 0.253518 0.598728 O\n0.104974 0.757270 0.616233 O\n0.589275 0.736275 0.118855 O\n0.654649 0.286427 0.617489 O\n0.126618 0.281517 0.113768 O\n0.647465 0.745493 0.614963 O\n0.125510 0.729758 0.114579 O\n0.874486 0.270243 0.885432 O\n0.352517 0.254485 0.385031 O\n0.873377 0.718473 0.886234 O\n0.345354 0.713576 0.382502 O\n0.410723 0.263712 0.881154 O\n0.895030 0.242734 0.383764 O\n",
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"formula_full": "Li4 V6 Sn2 O16",
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{
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{
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}