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{
"id": "jvasp-112847",
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"updated_at": "2022-09-04T14:38:44.411996Z",
"structure_string": "Li2 Mn3 Cr1 O8\n1.0\n4.991560 0.018782 2.891052\n1.675364 4.702040 2.891052\n0.026524 0.018782 5.768288\nLi Mn Cr O\n2 3 1 8\ndirect\n0.123792 0.123792 0.123792 Li\n0.876207 0.876208 0.876209 Li\n-0.000001 0.500000 0.500001 Mn\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Cr\n0.262189 0.262189 0.262190 O\n0.714788 0.258465 0.258465 O\n0.258464 0.258465 0.714789 O\n0.258464 0.714788 0.258465 O\n0.741534 0.285211 0.741536 O\n0.741534 0.741535 0.285212 O\n0.737809 0.737810 0.737811 O\n0.285210 0.741535 0.741536 O\n",
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{
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"structure_string": "Ba1 Mg1 Sn4 O8\n1.0\n2.978548 -5.158995 0.000000\n2.978548 5.158995 0.000000\n-0.000000 -0.000000 6.934111\nBa Mg Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666668 0.708186 Sn\n0.666668 0.333333 0.708186 Sn\n0.333333 0.666668 0.291814 Sn\n0.666668 0.333333 0.291814 Sn\n0.287700 0.287700 0.693623 O\n0.712301 -0.000000 0.693623 O\n-0.000000 0.712301 0.693623 O\n0.712301 0.712301 0.306377 O\n-0.000000 0.287700 0.306377 O\n0.287700 -0.000000 0.306377 O\n0.333333 0.666668 0.000000 O\n0.666668 0.333333 0.000000 O\n",
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{
"id": "jvasp-116677",
"created_at": "2022-09-04T14:38:44.398502Z",
"updated_at": "2022-09-04T14:38:44.398531Z",
"structure_string": "Mn4 Co2 O8\n1.0\n5.212105 -0.000174 2.745375\n-1.438881 5.017138 2.731226\n0.235834 0.329081 5.872257\nMn Co O\n4 2 8\ndirect\n0.625000 0.374999 0.749999 Mn\n0.625001 0.374999 0.250003 Mn\n0.124996 0.374999 0.250003 Mn\n0.625000 0.875004 0.749999 Mn\n0.250005 0.750002 0.500002 Co\n-0.000005 -0.000002 -0.000001 Co\n0.400743 0.133471 0.733067 O\n0.866192 0.133482 0.733062 O\n0.383806 0.616519 0.766939 O\n0.849256 0.616531 0.766934 O\n0.866529 0.133810 0.266941 O\n0.866533 0.599243 0.266935 O\n0.383465 0.150757 0.233069 O\n0.383470 0.616192 0.233062 O\n",
"nsites": 14,
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"formula_full": "Mn4 Co2 O8",
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"spacegroup": 227
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{
"id": "jvasp-116693",
"created_at": "2022-09-04T14:38:44.346089Z",
"updated_at": "2022-09-04T14:38:44.346116Z",
"structure_string": "K1 Ba2 Bi2 O9\n1.0\n5.920509 0.000000 0.000000\n-2.960254 5.127311 0.000000\n-0.000000 -0.000000 7.843417\nK Ba Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 K\n0.666667 0.333333 0.354636 Ba\n0.333334 0.666667 0.645364 Ba\n0.333334 0.666667 0.159108 Bi\n0.666667 0.333333 0.840893 Bi\n0.500000 -0.000000 -0.000000 O\n0.824849 0.649697 0.667326 O\n0.175152 0.350303 0.332674 O\n0.824849 0.175151 0.667326 O\n0.175152 0.824849 0.332674 O\n0.500000 0.500000 -0.000000 O\n0.649698 0.824849 0.332674 O\n0.000000 0.500000 -0.000000 O\n0.350303 0.175151 0.667326 O\n",
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"density_atomic": 0.0587995529628711,
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{
"id": "jvasp-112742",
"created_at": "2022-09-04T14:38:43.787109Z",
"updated_at": "2022-09-04T14:38:43.787138Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n5.155022 0.009772 0.000000\n-4.244317 2.925769 0.000000\n-0.000000 -0.000000 9.784211\nCa Mn O\n2 4 8\ndirect\n0.608773 0.391226 0.750000 Ca\n0.391226 0.608773 0.250000 Ca\n0.134454 0.865546 0.068112 Mn\n0.865545 0.134454 0.931888 Mn\n0.134454 0.865546 0.431888 Mn\n0.865545 0.134454 0.568112 Mn\n0.771916 0.228083 0.393614 O\n0.228083 0.771916 0.606386 O\n0.228083 0.771916 0.893614 O\n0.771916 0.228083 0.106386 O\n0.063638 0.936361 0.250000 O\n0.936360 0.063638 0.750000 O\n0.499999 0.500000 -0.000000 O\n0.499999 0.500000 0.500000 O\n",
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{
"id": "jvasp-117224",
"created_at": "2022-09-04T14:38:47.672822Z",
"updated_at": "2022-09-04T14:38:47.672859Z",
"structure_string": "Ca2 In4 S8\n1.0\n6.879528 -0.010975 -3.790207\n-2.291503 6.367718 -3.986838\n0.009785 0.010975 7.854520\nCa In S\n2 4 8\ndirect\n-0.000000 -0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.387931 0.637931 0.750000 In\n0.612069 0.362069 0.250000 In\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.251842 0.767500 0.015658 S\n0.251841 0.236183 0.484341 S\n0.253386 0.761940 0.491446 S\n0.770494 0.761941 0.008554 S\n0.748158 0.232500 0.984341 S\n0.748159 0.763817 0.515658 S\n0.746614 0.238061 0.508553 S\n0.229506 0.238060 0.991446 S\n",
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{
"id": "jvasp-116675",
"created_at": "2022-09-04T14:38:44.365497Z",
"updated_at": "2022-09-04T14:38:44.365526Z",
"structure_string": "Mn1 Cd1 Ga4 Se8\n1.0\n5.734072 -0.000000 0.000000\n0.000000 5.734072 0.000000\n-0.000000 -0.000000 10.968993\nMn Cd Ga Se\n1 1 4 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.251888 Ga\n0.500000 0.000000 0.748111 Ga\n0.253568 0.766957 0.367230 Se\n0.748050 0.279867 0.858264 Se\n0.746432 0.233042 0.367230 Se\n0.251949 0.720133 0.858264 Se\n0.720133 0.748050 0.141736 Se\n0.233042 0.253568 0.632770 Se\n0.279867 0.251949 0.141736 Se\n0.766957 0.746432 0.632770 Se\n",
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{
"id": "jvasp-112877",
"created_at": "2022-09-04T14:38:44.763900Z",
"updated_at": "2022-09-04T14:38:44.763929Z",
"structure_string": "Mo2 P2 O10\n1.0\n4.845592 0.023861 1.851373\n-0.538906 4.815591 1.851373\n0.102825 0.115545 7.407643\nMo P O\n2 2 10\ndirect\n0.774744 0.274702 -0.023177 Mo\n0.274700 0.774744 0.476823 Mo\n0.411600 0.137909 0.726804 P\n0.137909 0.411601 0.226804 P\n0.587650 0.961798 0.226813 O\n0.961796 0.587650 0.726813 O\n0.119805 0.090841 0.905178 O\n0.090841 0.119806 0.405178 O\n0.436238 0.913320 0.634810 O\n0.913319 0.436239 0.134810 O\n0.636210 0.113215 0.818781 O\n0.113215 0.636211 0.318782 O\n0.458636 0.429720 0.548460 O\n0.429720 0.458637 0.048460 O\n",
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{
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"updated_at": "2022-09-04T14:38:34.808499Z",
"structure_string": "In5 Ag1 S8\n1.0\n7.745996 -0.000000 -0.000000\n3.872998 6.708228 -0.000000\n3.872998 2.236076 6.324580\nIn Ag S\n5 1 8\ndirect\n0.000000 0.000000 0.000000 In\n0.142516 0.619162 0.619161 In\n0.619162 0.142516 0.619161 In\n0.619162 0.619162 0.142516 In\n0.619162 0.619162 0.619161 In\n0.250000 0.250000 0.250000 Ag\n0.382002 0.382002 0.382001 S\n0.382002 0.382002 0.853996 S\n0.382002 0.853996 0.382001 S\n0.853996 0.382002 0.382001 S\n0.402105 0.865966 0.865965 S\n0.865966 0.865966 0.402105 S\n0.865966 0.402105 0.865965 S\n0.865966 0.865966 0.865965 S\n",
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{
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"structure_string": "Mg2 Co2 F10\n1.0\n4.786126 0.008383 1.759759\n1.001834 4.680107 1.759759\n-0.023392 -0.018948 7.053535\nMg Co F\n2 2 10\ndirect\n0.534566 0.465434 0.750000 Mg\n0.465435 0.534565 0.250000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 -0.000000 0.500000 Co\n0.102090 0.897910 0.250000 F\n0.897910 0.102090 0.749999 F\n0.199851 0.285130 0.367184 F\n0.714870 0.800150 0.132816 F\n0.722582 0.327452 0.032464 F\n0.672548 0.277418 0.467536 F\n0.277418 0.672547 0.967535 F\n0.327452 0.722582 0.532464 F\n0.285130 0.199850 0.867184 F\n0.800150 0.714870 0.632815 F\n",
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{
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"created_at": "2022-09-04T14:38:47.651181Z",
"updated_at": "2022-09-04T14:38:47.651202Z",
"structure_string": "Li4 Nd4 Ge6\n1.0\n9.628892 0.001859 0.000000\n-8.605814 4.319203 0.000000\n-0.000000 0.000000 6.933408\nLi Nd Ge\n4 4 6\ndirect\n0.808886 0.191114 0.438009 Li\n0.191114 0.808885 0.561992 Li\n0.808886 0.191114 0.061992 Li\n0.191114 0.808885 0.938009 Li\n0.552065 0.447934 0.750000 Nd\n0.447935 0.552065 0.250000 Nd\n0.342606 0.657393 0.750000 Nd\n0.657394 0.342606 0.250000 Nd\n0.937445 0.062555 0.934416 Ge\n0.062555 0.937444 0.065585 Ge\n0.937445 0.062555 0.565585 Ge\n0.062555 0.937444 0.434416 Ge\n0.720283 0.279717 0.750000 Ge\n0.279717 0.720282 0.250000 Ge\n",
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{
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"created_at": "2022-09-04T14:38:44.395267Z",
"updated_at": "2022-09-04T14:38:44.395298Z",
"structure_string": "Na2 Ca2 Si2 O8\n1.0\n5.362843 0.019812 0.000000\n-2.378533 4.806564 0.000000\n-0.000000 -0.000000 7.148783\nNa Ca Si O\n2 2 2 8\ndirect\n0.684549 0.315450 0.750000 Na\n0.315450 0.684549 0.250000 Na\n-0.000077 -0.000077 0.000000 Ca\n0.000077 0.000077 0.500000 Ca\n0.357887 0.642112 0.750000 Si\n0.642113 0.357886 0.250000 Si\n0.697270 0.776502 0.749945 O\n0.776502 0.697269 0.250055 O\n0.302730 0.223497 0.249945 O\n0.223497 0.302729 0.750055 O\n0.253991 0.746379 0.938965 O\n0.746379 0.253990 0.061035 O\n0.746009 0.253620 0.438965 O\n0.253620 0.746008 0.561034 O\n",
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]
}