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{
"id": "jvasp-110275",
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"updated_at": "2022-09-04T14:37:57.119945Z",
"structure_string": "Ca2 Mn2 O4\n1.0\n3.284809 0.000000 -0.000000\n-0.000001 5.341069 -1.856733\n0.000000 0.018953 5.654566\nCa Mn O\n2 2 4\ndirect\n0.000000 0.250000 0.750000 Ca\n0.000000 0.750000 0.250000 Ca\n0.500000 0.749998 0.750000 Mn\n0.500000 0.250001 0.250000 Mn\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000001 O\n0.500000 0.000001 0.500000 O\n",
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{
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"structure_string": "Ca2 Mn2 O4\n1.0\n-3.259403 -0.000875 0.000000\n0.000001 -0.000219 -4.705159\n0.002186 -6.460667 0.000479\nCa Mn O\n2 2 4\ndirect\n0.562425 0.500880 0.886282 Ca\n0.062442 0.000883 0.613726 Ca\n0.562444 0.504001 0.373522 Mn\n0.062402 0.004013 0.126463 Mn\n0.062451 0.494982 0.144568 O\n0.562484 0.000114 0.884615 O\n0.062391 0.500123 0.615407 O\n0.562410 0.995008 0.355436 O\n",
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{
"id": "jvasp-99860",
"created_at": "2022-09-04T14:36:31.766750Z",
"updated_at": "2022-09-04T14:36:31.766780Z",
"structure_string": "Ca2 Mn2 Sb4\n1.0\n4.370877 0.000000 -0.000000\n0.000000 4.370877 0.000000\n-0.000000 0.000000 10.421046\nCa Mn Sb\n2 2 4\ndirect\n0.000000 0.500000 0.238566 Ca\n0.500000 0.000000 0.761435 Ca\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.649843 Sb\n0.500000 0.000000 0.350157 Sb\n",
"nsites": 8,
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"formula_full": "Ca2 Mn2 Sb4",
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"spacegroup": 129
},
{
"id": "jvasp-93445",
"created_at": "2022-09-04T14:36:21.093154Z",
"updated_at": "2022-09-04T14:36:21.093176Z",
"structure_string": "Ca2 Mn2 Si2\n1.0\n3.971063 0.000000 0.000000\n0.000000 3.971063 0.000000\n0.000000 0.000000 7.383363\nCa Mn Si\n2 2 2\ndirect\n0.000000 0.500000 0.329858 Ca\n0.500000 0.000000 0.670141 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.815048 Si\n0.500000 0.000000 0.184951 Si\n",
"nsites": 6,
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"density": 3.5113556677845827,
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"formula_full": "Ca2 Mn2 Si2",
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"spacegroup": 129
},
{
"id": "jvasp-5065",
"created_at": "2022-09-04T14:35:50.393017Z",
"updated_at": "2022-09-04T14:35:50.393052Z",
"structure_string": "Ca2 Mn2 Si2\n1.0\n3.970548 0.000000 0.000000\n0.000000 3.970548 0.000000\n0.000000 0.000000 7.387811\nCa Mn Si\n2 2 2\ndirect\n0.500000 0.000000 0.329793 Ca\n0.000000 0.500000 0.670207 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.184873 Si\n0.500000 0.000000 0.815127 Si\n",
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"density": 3.5101519675931168,
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"volume": 116.47069786068752,
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"formula_full": "Ca2 Mn2 Si2",
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"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-98475",
"created_at": "2022-09-04T14:35:47.204228Z",
"updated_at": "2022-09-04T14:35:47.204246Z",
"structure_string": "Ca2 Mn2 Si4 O12\n1.0\n5.196130 -0.021263 0.999014\n1.186152 6.622948 0.601187\n-0.023994 0.025241 6.755043\nCa Mn Si O\n2 2 4 12\ndirect\n0.750001 0.302589 0.697411 Ca\n0.250000 0.697411 0.302588 Ca\n0.250000 0.095700 0.904300 Mn\n0.749999 0.904301 0.095699 Mn\n0.734105 0.805628 0.619746 Si\n0.765895 0.380255 0.194371 Si\n0.234106 0.619746 0.805628 Si\n0.265895 0.194371 0.380255 Si\n0.152404 0.786536 0.973542 O\n0.347598 0.026459 0.213464 O\n0.509603 0.326487 0.372450 O\n0.668563 0.608621 0.117800 O\n0.831435 0.882202 0.391380 O\n0.331436 0.391380 0.882201 O\n0.168564 0.117800 0.608620 O\n0.009602 0.372451 0.326487 O\n0.490398 0.673515 0.627549 O\n-0.009603 0.627550 0.673515 O\n0.847597 0.213465 0.026459 O\n0.652403 0.973542 0.786535 O\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:35:50.585946Z",
"updated_at": "2022-09-04T14:35:50.585972Z",
"structure_string": "Ca2 Mn2 Sn2\n1.0\n4.489673 0.000000 0.000000\n0.000000 4.489673 -0.000000\n0.000000 0.000000 7.294551\nCa Mn Sn\n2 2 2\ndirect\n0.250000 0.250000 0.175447 Ca\n0.750000 0.750000 0.824553 Ca\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.250000 0.250000 0.720196 Sn\n0.750000 0.750000 0.279804 Sn\n",
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"spacegroup": 129
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{
"id": "jvasp-7960",
"created_at": "2022-09-04T14:37:05.197708Z",
"updated_at": "2022-09-04T14:37:05.197727Z",
"structure_string": "Ca2 Mn2 Sn2\n1.0\n4.491769 0.000000 0.000000\n0.000000 4.491769 0.000000\n0.000000 0.000000 7.289030\nCa Mn Sn\n2 2 2\ndirect\n0.500000 0.000000 0.675574 Ca\n0.000000 0.500000 0.324426 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.779875 Sn\n0.500000 0.000000 0.220125 Sn\n",
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{
"id": "jvasp-11512",
"created_at": "2022-09-04T14:36:32.468670Z",
"updated_at": "2022-09-04T14:36:32.468704Z",
"structure_string": "Ca2 Mn3 O8\n1.0\n4.746147 0.001931 -1.478803\n-0.859985 5.111207 -2.753408\n-0.001396 -0.000614 6.254321\nCa Mn O\n2 3 8\ndirect\n0.666569 0.724993 0.449984 Ca\n0.333429 0.275009 0.550016 Ca\n0.499999 0.999999 -0.000000 Mn\n0.999999 0.740774 0.000000 Mn\n0.999999 0.259226 0.000000 Mn\n0.041443 0.396617 0.793234 O\n0.958556 0.603383 0.206766 O\n0.097642 0.903056 0.806110 O\n0.902357 0.096945 0.193890 O\n0.391857 0.323343 0.201276 O\n0.391856 0.877934 0.201276 O\n0.608144 0.122066 0.798724 O\n0.608143 0.676658 0.798724 O\n",
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"formula_full": "Ca2 Mn3 O8",
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{
"id": "jvasp-11703",
"created_at": "2022-09-04T14:38:06.746233Z",
"updated_at": "2022-09-04T14:38:06.746261Z",
"structure_string": "Ca2 Mn3 O8\n1.0\n4.746104 0.001988 -1.478684\n-0.860045 5.111562 -2.753599\n-0.001253 -0.000852 6.254269\nCa Mn O\n2 3 8\ndirect\n0.666545 0.724982 0.449963 Ca\n0.333455 0.275019 0.550038 Ca\n0.500001 0.999999 0.000000 Mn\n0.999999 0.740782 0.000001 Mn\n0.999998 0.259219 0.000001 Mn\n0.041439 0.396623 0.793248 O\n0.958562 0.603376 0.206753 O\n0.097648 0.903047 0.806093 O\n0.902353 0.096953 0.193907 O\n0.391857 0.323328 0.201277 O\n0.391858 0.877949 0.201277 O\n0.608144 0.122051 0.798724 O\n0.608145 0.676673 0.798724 O\n",
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{
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"created_at": "2022-09-04T14:37:06.522590Z",
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"structure_string": "Ca2 Mn4 O8\n1.0\n6.322379 -0.108415 -0.076662\n3.067300 5.312718 -0.000000\n3.067300 1.770906 5.008878\nCa Mn O\n2 4 8\ndirect\n0.973725 0.008757 0.008758 Ca\n0.128955 0.623682 0.623681 Ca\n0.270571 0.243143 0.243143 Mn\n0.623269 0.120575 0.628079 Mn\n0.623269 0.628078 0.120576 Mn\n0.623269 0.628078 0.628079 Mn\n0.433157 0.366857 0.366858 O\n0.433157 0.366858 0.833128 O\n0.433157 0.833127 0.366858 O\n0.876391 0.374536 0.374537 O\n0.400022 0.866659 0.866659 O\n0.810355 0.439912 0.874867 O\n0.810355 0.874866 0.439913 O\n0.810355 0.874866 0.874867 O\n",
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{
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"created_at": "2022-09-04T14:37:18.597217Z",
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"structure_string": "Ca2 Mn4 O8\n1.0\n3.077340 0.000000 0.000000\n-1.538670 4.933619 0.000000\n0.000000 -0.000000 9.797948\nCa Mn O\n2 4 8\ndirect\n0.391406 0.782812 0.750000 Ca\n0.608594 0.217188 0.250000 Ca\n0.865338 0.730677 0.068276 Mn\n0.134662 0.269323 0.931724 Mn\n0.865338 0.730677 0.431724 Mn\n0.134662 0.269323 0.568277 Mn\n0.228054 0.456108 0.393658 O\n0.771946 0.543892 0.606343 O\n0.771946 0.543892 0.893658 O\n0.228054 0.456108 0.106342 O\n0.936225 0.872449 0.250000 O\n0.063775 0.127551 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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}