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{
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{
"id": "mp-1522233",
"created_at": "2022-09-04T14:44:06.344934Z",
"structure_string": "K1 Nb2 In1 O6\n1.0\n-0.000000 -4.076668 -4.076668\n4.076668 0.000000 -4.076668\n4.076668 -4.076668 0.000000\nK Nb In O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Nb\n0.000000 -0.000000 0.000000 In\n0.000000 -0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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},
{
"id": "mp-1235382",
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"structure_string": "Li1 Si6 O12\n1.0\n4.886455 -0.045730 1.758058\n1.929122 6.952297 2.175024\n0.135515 -0.037704 7.586934\nLi Si O\n1 6 12\ndirect\n0.315612 0.939372 0.452296 Li\n0.364717 0.347683 0.320148 Si\n0.036066 0.194991 0.143438 Si\n0.613539 0.658953 0.684793 Si\n0.937129 0.817770 0.858927 Si\n0.974356 0.234075 0.733803 Si\n0.003458 0.771494 0.272438 Si\n0.724063 0.428256 0.697182 O\n0.847241 0.048892 0.776317 O\n0.243737 0.576898 0.325817 O\n0.122487 0.960920 0.247854 O\n0.244897 0.213865 0.533660 O\n0.084997 0.226448 0.912820 O\n0.264785 0.737743 0.722476 O\n0.717136 0.721847 0.832130 O\n0.711418 0.294202 0.260685 O\n0.262449 0.288438 0.168332 O\n0.920900 0.770013 0.085179 O\n0.711012 0.777068 0.458312 O\n",
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"formula_full": "Li1 Si6 O12",
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"updated_at": "2021-11-28T01:34:52.186000Z",
"spacegroup": 1
},
{
"id": "mp-1178392",
"created_at": "2022-09-04T14:47:20.548658Z",
"structure_string": "Fe16 O24\n1.0\n5.164835 0.000000 0.000000\n0.000000 5.407200 0.000000\n0.000000 0.000000 15.050912\nFe O\n16 24\ndirect\n0.998715 0.200844 0.071426 Fe\n0.998805 0.766583 0.180628 Fe\n0.998715 0.299156 0.571426 Fe\n0.998805 0.733417 0.680628 Fe\n0.501195 0.266583 0.180628 Fe\n0.501195 0.233417 0.680628 Fe\n0.501285 0.700844 0.071426 Fe\n0.501285 0.799156 0.571426 Fe\n0.498715 0.200844 0.428574 Fe\n0.498715 0.299156 0.928574 Fe\n0.498805 0.766583 0.319372 Fe\n0.498805 0.733417 0.819372 Fe\n0.001285 0.700844 0.428574 Fe\n0.001195 0.266583 0.319372 Fe\n0.001195 0.233417 0.819372 Fe\n0.001285 0.799156 0.928574 Fe\n0.142098 0.129575 0.203229 O\n0.142098 0.370425 0.703229 O\n0.150263 0.842559 0.051245 O\n0.150263 0.657441 0.551245 O\n0.197951 0.981855 0.376393 O\n0.197951 0.518145 0.876393 O\n0.302049 0.481855 0.376393 O\n0.302049 0.018145 0.876393 O\n0.349737 0.157441 0.551245 O\n0.349737 0.342559 0.051245 O\n0.357902 0.629575 0.203229 O\n0.357902 0.870425 0.703229 O\n0.642098 0.129575 0.296771 O\n0.642098 0.370425 0.796771 O\n0.650263 0.842559 0.448755 O\n0.650263 0.657441 0.948755 O\n0.697951 0.518145 0.623607 O\n0.697951 0.981855 0.123607 O\n0.802049 0.481855 0.123607 O\n0.802049 0.018145 0.623607 O\n0.849737 0.342559 0.448755 O\n0.849737 0.157441 0.948755 O\n0.857902 0.870425 0.796771 O\n0.857902 0.629575 0.296771 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 5.046847806969959,
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"volume": 420.3312716643805,
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"formula_full": "Fe16 O24",
"formula_reduced": "Fe2O3",
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"updated_at": "2021-11-28T01:38:01.222000Z",
"spacegroup": 61
},
{
"id": "mp-766099",
"created_at": "2022-09-04T14:41:24.163274Z",
"structure_string": "Li8 V8 Si8 O32\n1.0\n10.667572 0.000000 0.000000\n0.000000 5.605614 0.000000\n0.000000 0.099127 10.428031\nLi V Si O\n8 8 8 32\ndirect\n0.158442 0.892567 0.825848 Li\n0.341558 0.892567 0.325848 Li\n0.619413 0.626775 0.588342 Li\n0.880587 0.626775 0.088342 Li\n0.119413 0.373225 0.911658 Li\n0.380587 0.373225 0.411658 Li\n0.658442 0.107433 0.674152 Li\n0.841558 0.107433 0.174152 Li\n0.872257 0.844718 0.516602 V\n0.627743 0.844718 0.016602 V\n0.407996 0.661924 0.769847 V\n0.092004 0.661924 0.269847 V\n0.907996 0.338076 0.730153 V\n0.592004 0.338076 0.230153 V\n0.372257 0.155282 0.983398 V\n0.127743 0.155282 0.483398 V\n0.900431 0.882538 0.836985 Si\n0.599569 0.882538 0.336985 Si\n0.145246 0.609937 0.579831 Si\n0.354754 0.609937 0.079831 Si\n0.645246 0.390063 0.920169 Si\n0.854754 0.390063 0.420169 Si\n0.400431 0.117462 0.663015 Si\n0.099569 0.117462 0.163015 Si\n0.803902 0.884202 0.958943 O\n0.500497 0.887526 0.654746 O\n0.696098 0.884202 0.458943 O\n0.999503 0.887526 0.154746 O\n0.830488 0.952091 0.696396 O\n0.062157 0.853959 0.570869 O\n0.669512 0.952091 0.196396 O\n0.437843 0.853959 0.070869 O\n0.247057 0.646664 0.691247 O\n0.979871 0.631887 0.831713 O\n0.252943 0.646664 0.191247 O\n0.520129 0.631887 0.331713 O\n0.560626 0.628593 0.881876 O\n0.305959 0.524895 0.935365 O\n0.939374 0.628593 0.381876 O\n0.194041 0.524895 0.435365 O\n0.805959 0.475105 0.564635 O\n0.060626 0.371407 0.618124 O\n0.694041 0.475105 0.064635 O\n0.439374 0.371407 0.118124 O\n0.479871 0.368113 0.668287 O\n0.747057 0.353336 0.808753 O\n0.020129 0.368113 0.168287 O\n0.752943 0.353336 0.308753 O\n0.562157 0.146041 0.929131 O\n0.330488 0.047909 0.803604 O\n0.937843 0.146041 0.429131 O\n0.169512 0.047909 0.303604 O\n0.000497 0.112474 0.845254 O\n0.303902 0.115798 0.541057 O\n0.499503 0.112474 0.345254 O\n0.196098 0.115798 0.041057 O\n",
"nsites": 56,
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"elements": [
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"O"
],
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"density": 3.194770373838861,
"density_atomic": 0.08980426061476036,
"volume": 623.5784317653605,
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"formula_full": "Li8 V8 Si8 O32",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy": -445.26001841,
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"updated_at": "2021-11-28T01:35:28.472000Z",
"spacegroup": 14
},
{
"id": "mp-1219242",
"created_at": "2022-09-04T14:42:51.414951Z",
"structure_string": "Sm2 Fe15 Co2 C3\n1.0\n4.346462 4.852498 0.000000\n-4.346462 4.852498 0.000000\n0.000000 0.951130 6.463626\nSm Fe Co C\n2 15 2 3\ndirect\n0.654449 0.654449 0.653923 Sm\n0.346333 0.346333 0.345653 Sm\n0.283470 0.999321 0.717110 Fe\n0.715885 0.283819 0.000129 Fe\n0.999815 0.716402 0.283407 Fe\n0.283819 0.715885 0.000129 Fe\n0.999321 0.283470 0.717110 Fe\n0.716402 0.999815 0.283407 Fe\n0.000262 0.499402 0.001078 Fe\n0.000418 0.000418 0.499461 Fe\n0.499402 0.000262 0.001078 Fe\n0.904682 0.904682 0.903905 Fe\n0.094528 0.094528 0.094789 Fe\n0.341654 0.341654 0.857369 Fe\n0.141790 0.656576 0.657689 Fe\n0.656576 0.141790 0.657689 Fe\n0.658564 0.658564 0.141974 Fe\n0.861715 0.342497 0.342712 Co\n0.342497 0.861715 0.342712 Co\n0.498983 0.999825 0.499186 C\n0.499610 0.499610 0.000305 C\n0.999825 0.498983 0.499186 C\n",
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"elements": [
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],
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"density": 7.87050840424329,
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"volume": 272.6512336230932,
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},
{
"id": "mp-1221354",
"created_at": "2022-09-04T14:39:46.465906Z",
"structure_string": "Si48 O107\n1.0\n-12.269890 0.002357 -12.278941\n12.272239 -12.272244 0.000008\n-12.267516 -12.267521 -0.000017\nSi O\n48 107\ndirect\n0.607529 0.392098 0.856848 Si\n0.607528 0.215431 0.035624 Si\n0.892424 0.856758 0.392117 Si\n0.892423 0.035665 0.215460 Si\n0.072376 0.215613 0.392131 Si\n0.427588 0.392049 0.215559 Si\n0.427588 0.035539 0.856853 Si\n0.072376 0.856762 0.035493 Si\n0.248863 0.856774 0.215573 Si\n0.251136 0.035570 0.392113 Si\n0.248863 0.392089 0.035564 Si\n0.251136 0.215565 0.856751 Si\n0.248863 0.392089 0.215572 Si\n0.251136 0.215566 0.392113 Si\n0.248863 0.856774 0.035565 Si\n0.251136 0.035570 0.856751 Si\n0.607529 0.215432 0.856848 Si\n0.607528 0.392097 0.035624 Si\n0.892423 0.035665 0.392117 Si\n0.892423 0.856758 0.215460 Si\n0.072376 0.856762 0.392131 Si\n0.427588 0.035539 0.215560 Si\n0.427588 0.392049 0.856852 Si\n0.072376 0.215614 0.035493 Si\n0.392523 0.607930 0.143185 Si\n0.392523 0.784593 0.964292 Si\n0.107530 0.143187 0.607925 Si\n0.107530 0.964342 0.784545 Si\n0.927593 0.784404 0.608036 Si\n0.572401 0.607895 0.784480 Si\n0.572401 0.964506 0.143119 Si\n0.927593 0.143190 0.964371 Si\n0.751134 0.143199 0.784508 Si\n0.748902 0.964466 0.607994 Si\n0.751134 0.607935 0.964359 Si\n0.748902 0.784436 0.143105 Si\n0.751135 0.607936 0.784507 Si\n0.748903 0.784436 0.607994 Si\n0.751134 0.143199 0.964359 Si\n0.748903 0.964467 0.143104 Si\n0.392523 0.784593 0.143184 Si\n0.392523 0.607930 0.964293 Si\n0.107529 0.964342 0.607925 Si\n0.107529 0.143187 0.784545 Si\n0.927593 0.143189 0.608036 Si\n0.572400 0.964505 0.784480 Si\n0.572401 0.607895 0.143119 Si\n0.927593 0.784403 0.964371 Si\n0.506044 0.364270 0.141795 O\n0.506044 0.141774 0.852161 O\n0.993854 0.141673 0.364348 O\n0.993854 0.852181 0.141798 O\n0.283389 0.141695 0.364340 O\n0.216561 0.364230 0.141720 O\n0.216561 0.852331 0.141719 O\n0.283388 0.141694 0.852271 O\n0.506044 0.141774 0.141795 O\n0.993853 0.852181 0.364347 O\n0.506043 0.364269 0.852161 O\n0.993853 0.141672 0.141799 O\n0.494153 0.635960 0.858095 O\n0.494154 0.858194 0.147752 O\n0.006036 0.858165 0.635803 O\n0.006036 0.147870 0.858161 O\n0.716352 0.858175 0.635783 O\n0.783758 0.635931 0.858121 O\n0.783757 0.147826 0.858121 O\n0.716353 0.858176 0.147865 O\n0.494154 0.858194 0.858095 O\n0.006035 0.147870 0.635803 O\n0.494154 0.635960 0.147751 O\n0.006035 0.858165 0.858161 O\n0.357058 0.035046 0.322059 O\n0.357057 0.322012 0.820883 O\n0.142919 0.322041 0.035026 O\n0.142919 0.820879 0.322055 O\n0.644329 0.322164 0.034629 O\n0.855891 0.035077 0.322053 O\n0.855891 0.820815 0.322054 O\n0.644330 0.322165 0.821042 O\n0.357057 0.322012 0.322060 O\n0.142919 0.820879 0.035026 O\n0.357057 0.035046 0.820883 O\n0.142919 0.322040 0.322055 O\n0.643152 0.965219 0.677816 O\n0.643153 0.677933 0.179032 O\n0.856865 0.677849 0.965235 O\n0.856864 0.179015 0.677901 O\n0.355682 0.677841 0.965403 O\n0.144423 0.965413 0.677789 O\n0.144423 0.179009 0.677789 O\n0.355682 0.677841 0.178916 O\n0.643151 0.677932 0.677816 O\n0.856865 0.179015 0.965235 O\n0.643152 0.965219 0.179033 O\n0.856864 0.677849 0.677901 O\n0.750521 0.875260 0.874740 O\n0.249985 0.124992 0.125008 O\n0.347327 0.381320 0.966072 O\n0.347328 0.966008 0.186601 O\n0.152477 0.965939 0.381573 O\n0.152478 0.186538 0.965949 O\n0.931630 0.965815 0.381805 O\n0.567895 0.381545 0.966053 O\n0.567895 0.186350 0.966052 O\n0.931629 0.965815 0.186565 O\n0.347327 0.966008 0.966072 O\n0.152477 0.186538 0.381572 O\n0.347326 0.381319 0.186601 O\n0.152478 0.965940 0.965949 O\n0.652443 0.618406 0.034034 O\n0.652442 0.034038 0.813524 O\n0.847568 0.033893 0.618467 O\n0.847567 0.813675 0.033966 O\n0.067922 0.033960 0.618598 O\n0.432092 0.618515 0.033954 O\n0.432093 0.813578 0.033954 O\n0.067921 0.033961 0.813481 O\n0.652442 0.034038 0.034035 O\n0.847567 0.813674 0.618467 O\n0.652442 0.618405 0.813524 O\n0.847567 0.033893 0.033967 O\n0.499723 0.499987 0.212154 O\n0.499723 0.999736 0.788123 O\n0.999931 0.212068 0.500047 O\n0.999930 0.787861 0.000022 O\n0.212001 0.999939 0.500058 O\n0.288119 0.500095 0.999906 O\n0.288119 0.788023 0.211976 O\n0.212002 0.212063 0.787940 O\n0.711975 0.212072 0.999882 O\n0.787939 0.787805 0.499976 O\n0.711975 0.499903 0.788142 O\n0.787938 0.000133 0.212086 O\n0.711976 0.499903 0.999882 O\n0.787938 0.000134 0.499975 O\n0.711976 0.212072 0.788142 O\n0.787937 0.787804 0.212086 O\n0.499724 0.999737 0.212154 O\n0.499724 0.499987 0.788122 O\n0.999930 0.787862 0.500048 O\n0.999930 0.212069 0.000022 O\n0.212001 0.212063 0.500059 O\n0.288119 0.788023 0.999906 O\n0.288119 0.500095 0.211976 O\n0.212001 0.999939 0.787939 O\n0.750083 0.551761 0.551563 O\n0.750083 0.198322 0.198355 O\n0.750083 0.198322 0.551563 O\n0.750083 0.551761 0.198355 O\n0.603584 0.801792 0.448208 O\n0.249956 0.448256 0.448252 O\n0.249956 0.801700 0.801792 O\n0.249956 0.801700 0.448252 O\n0.249956 0.448255 0.801792 O\n",
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"formula_full": "Si48 O107",
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},
{
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