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{
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{
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{
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"structure_string": "Mg1 Ta4 Mn4 Nb4 O24\n1.0\n0.008949 0.000000 -5.181165\n0.000000 -5.959553 0.000000\n-14.752577 0.000000 0.027150\nMg Ta Mn Nb O\n1 4 4 4 24\ndirect\n0.250000 0.581110 0.000000 Mg\n0.260521 0.668495 0.183969 Ta\n0.760529 0.847727 0.343867 Ta\n0.739471 0.847727 0.656133 Ta\n0.239479 0.668495 0.816031 Ta\n0.250000 0.113155 0.000000 Mn\n0.750000 0.342006 0.500000 Mn\n0.750000 0.825070 0.000000 Mn\n0.250000 0.676824 0.500000 Mn\n0.732797 0.318042 0.841210 Nb\n0.224006 0.185245 0.660115 Nb\n0.275994 0.185245 0.339885 Nb\n0.767203 0.318042 0.158790 Nb\n0.911798 0.138053 0.748711 O\n0.401926 0.389005 0.760022 O\n0.098074 0.389005 0.239978 O\n0.588202 0.138053 0.251289 O\n0.083727 0.881824 0.256443 O\n0.590721 0.640460 0.246157 O\n0.909279 0.640460 0.753843 O\n0.416273 0.881824 0.743557 O\n0.594128 0.110698 0.920250 O\n0.096563 0.389137 0.579197 O\n0.403437 0.389137 0.420803 O\n0.905872 0.110698 0.079750 O\n0.394440 0.835518 0.081312 O\n0.900692 0.631177 0.417788 O\n0.599308 0.631177 0.582212 O\n0.105560 0.835518 0.918688 O\n0.058486 0.389985 0.906474 O\n0.575443 0.108982 0.600177 O\n0.924557 0.108982 0.399823 O\n0.441514 0.389985 0.093526 O\n0.957769 0.595499 0.095642 O\n0.434287 0.897945 0.402483 O\n0.065713 0.897945 0.597517 O\n0.542231 0.595499 0.904358 O\n",
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"formula_full": "Mg1 Ta4 Mn4 Nb4 O24",
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{
"id": "mp-760956",
"created_at": "2022-09-04T14:48:29.176351Z",
"structure_string": "Li6 Mn5 Ni3 O16\n1.0\n2.892928 5.051971 0.000000\n-2.892928 5.051971 0.000000\n0.000000 0.211578 9.436423\nLi Mn Ni O\n6 5 3 16\ndirect\n0.825668 0.825668 0.450535 Li\n0.347684 0.833802 0.453119 Li\n0.833802 0.347684 0.453119 Li\n0.173131 0.664629 0.940169 Li\n0.664629 0.173131 0.940169 Li\n0.164302 0.164302 0.940734 Li\n0.827903 0.827903 0.714720 Mn\n0.659917 0.659917 0.984782 Mn\n0.168388 0.663608 0.214589 Mn\n0.663608 0.168388 0.214589 Mn\n0.329426 0.329426 0.489652 Mn\n0.334922 0.832292 0.712366 Ni\n0.832292 0.334922 0.712366 Ni\n0.168171 0.168171 0.212886 Ni\n0.838066 0.838066 0.103169 O\n0.527387 0.964970 0.851928 O\n0.324670 0.828069 0.092261 O\n0.674687 0.674687 0.596774 O\n0.964970 0.527387 0.851928 O\n0.521319 0.521319 0.855731 O\n0.155637 0.664141 0.593349 O\n0.828069 0.324670 0.092261 O\n0.485184 0.485184 0.338261 O\n0.664141 0.155637 0.593349 O\n0.343466 0.343466 0.103313 O\n0.039004 0.494178 0.345816 O\n0.494178 0.039004 0.345816 O\n0.164635 0.164635 0.580723 O\n0.991560 0.991560 0.321050 O\n0.988626 0.988626 0.820508 O\n",
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],
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"density": 4.505582713066392,
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"volume": 275.8264246306062,
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"formula_full": "Li6 Mn5 Ni3 O16",
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"updated_at": "2021-11-28T01:39:47.671000Z",
"spacegroup": 8
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{
"id": "mp-973681",
"created_at": "2022-09-04T14:48:29.185325Z",
"structure_string": "Lu1 Rh1 O3\n1.0\n3.924034 0.000000 0.000000\n0.000000 3.924034 0.000000\n0.000000 0.000000 3.924034\nLu Rh O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"density": 8.955629658015384,
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"formula_full": "Lu1 Rh1 O3",
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"spacegroup": 221
},
{
"id": "mp-1212772",
"created_at": "2022-09-04T14:48:29.186298Z",
"structure_string": "Fe8 P8 N8 O32 F8\n1.0\n6.378861 0.000000 0.000000\n0.000000 10.889511 0.000000\n0.000000 0.000000 12.974986\nFe P N O F\n8 8 8 32 8\ndirect\n0.498706 0.026415 0.113815 Fe\n0.501294 0.526415 0.886185 Fe\n0.001294 0.026415 0.613815 Fe\n0.998706 0.526415 0.386185 Fe\n0.249420 0.275633 0.251606 Fe\n0.750580 0.775633 0.748394 Fe\n0.250580 0.275633 0.751606 Fe\n0.749420 0.775633 0.248394 Fe\n0.002055 0.027515 0.184490 P\n0.997945 0.527515 0.815510 P\n0.497945 0.027515 0.684490 P\n0.502055 0.527515 0.315510 P\n0.331099 0.276523 0.999542 P\n0.668901 0.776523 0.000458 P\n0.168901 0.276523 0.499542 P\n0.831099 0.776523 0.500458 P\n0.776532 0.331697 0.118473 N\n0.223468 0.831697 0.881527 N\n0.723468 0.331697 0.618473 N\n0.276532 0.831697 0.381527 N\n0.198065 0.587092 0.098851 N\n0.801935 0.087092 0.901149 N\n0.301935 0.587092 0.598851 N\n0.698065 0.087092 0.401149 N\n0.474441 0.162510 0.013825 O\n0.525559 0.662510 0.986175 O\n0.025559 0.162510 0.513825 O\n0.974441 0.662510 0.486175 O\n0.309498 0.550063 0.385623 O\n0.690502 0.050063 0.614377 O\n0.190502 0.550063 0.885623 O\n0.809498 0.050063 0.114377 O\n0.191294 0.288162 0.097031 O\n0.808706 0.788162 0.902969 O\n0.308706 0.288162 0.597031 O\n0.691294 0.788162 0.402969 O\n0.027190 0.392019 0.489517 O\n0.972810 0.892019 0.510483 O\n0.472810 0.392019 0.989517 O\n0.527190 0.892019 0.010483 O\n0.305098 0.261157 0.402611 O\n0.694902 0.761157 0.597389 O\n0.194902 0.261157 0.902611 O\n0.805098 0.761157 0.097389 O\n0.193328 0.999890 0.115805 O\n0.806672 0.499890 0.884195 O\n0.306672 0.999890 0.615805 O\n0.693328 0.499890 0.384195 O\n0.040581 0.140746 0.253916 O\n0.959419 0.640746 0.746084 O\n0.459419 0.140746 0.753916 O\n0.540581 0.640746 0.246084 O\n0.455843 0.415076 0.244834 O\n0.544157 0.915076 0.755166 O\n0.044157 0.415076 0.744834 O\n0.955843 0.915076 0.255166 O\n0.031881 0.401205 0.275798 F\n0.968119 0.901205 0.724202 F\n0.468119 0.401205 0.775798 F\n0.531881 0.901205 0.224202 F\n0.470909 0.153996 0.224721 F\n0.529091 0.653996 0.775279 F\n0.029091 0.153996 0.724721 F\n0.970909 0.653996 0.275279 F\n",
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"spacegroup": 33
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{
"id": "mp-769348",
"created_at": "2022-09-04T14:48:29.188756Z",
"structure_string": "Mg4 Sn4 O12\n1.0\n5.331653 0.000000 0.000000\n0.000000 5.456908 0.000000\n0.000000 0.000000 7.839454\nMg Sn O\n4 4 12\ndirect\n0.999387 0.956444 0.750000 Mg\n0.500613 0.456444 0.750000 Mg\n0.499387 0.543556 0.250000 Mg\n0.000613 0.043556 0.250000 Mg\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.135567 0.413011 0.250000 O\n0.171308 0.176404 0.571941 O\n0.171308 0.176404 0.928059 O\n0.328692 0.676404 0.571941 O\n0.328692 0.676404 0.928059 O\n0.364433 0.913011 0.250000 O\n0.635567 0.086989 0.750000 O\n0.671308 0.323596 0.071941 O\n0.671308 0.323596 0.428059 O\n0.828692 0.823596 0.071941 O\n0.828692 0.823596 0.428059 O\n0.864433 0.586989 0.750000 O\n",
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{
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"structure_string": "Mg2 Cu6 P6 O26\n1.0\n6.138063 0.000000 0.000000\n0.000000 7.566957 0.000000\n0.000000 1.853848 9.915805\nMg Cu P O\n2 6 6 26\ndirect\n0.750000 0.356276 0.178219 Mg\n0.250000 0.643724 0.821781 Mg\n0.250000 0.649183 0.202982 Cu\n0.750000 0.350817 0.797018 Cu\n0.250000 0.238569 0.430824 Cu\n0.500000 0.000000 0.000000 Cu\n0.750000 0.761431 0.569176 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.789617 0.488800 P\n0.750000 0.210383 0.511200 P\n0.250000 0.262426 0.759339 P\n0.750000 0.737574 0.240661 P\n0.750000 0.680078 0.887469 P\n0.250000 0.319922 0.112531 P\n0.750000 0.620351 0.745653 O\n0.562141 0.248985 0.403514 O\n0.250000 0.200020 0.625348 O\n0.535087 0.785836 0.893626 O\n0.750000 0.356046 0.599550 O\n0.750000 0.119116 0.904369 O\n0.250000 0.643954 0.400450 O\n0.035087 0.214164 0.106374 O\n0.250000 0.974984 0.399234 O\n0.750000 0.025016 0.600766 O\n0.062548 0.388331 0.788671 O\n0.250000 0.880884 0.095631 O\n0.562548 0.611669 0.211329 O\n0.750000 0.494974 0.980199 O\n0.750000 0.799980 0.374652 O\n0.464913 0.214164 0.106374 O\n0.937859 0.248985 0.403514 O\n0.437859 0.751015 0.596486 O\n0.437452 0.388331 0.788671 O\n0.250000 0.379649 0.254347 O\n0.750000 0.912274 0.128704 O\n0.250000 0.087726 0.871296 O\n0.937452 0.611669 0.211329 O\n0.964913 0.785836 0.893626 O\n0.062141 0.751015 0.596486 O\n0.250000 0.505026 0.019801 O\n",
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{
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{
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