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{
"id": "jvasp-94421",
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"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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{
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"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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{
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"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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"elements": [
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"density_atomic": 0.08593039798754981,
"volume": 232.7465072708931,
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"formula_full": "Ca2 Mn2 Si4 O12",
"formula_reduced": "CaMn(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
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{
"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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"formula_full": "Ca2 Mn2 Si2",
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},
{
"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",
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"formula_full": "Ca2 Mn2 Si2",
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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",
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{
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"created_at": "2022-09-04T14:37:57.119935Z",
"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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{
"id": "jvasp-91864",
"created_at": "2022-09-04T14:36:19.005800Z",
"updated_at": "2022-09-04T14:36:19.005817Z",
"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-107378",
"created_at": "2022-09-04T14:36:59.284583Z",
"updated_at": "2022-09-04T14:36:59.284598Z",
"structure_string": "Ca2 Mn2 N4\n1.0\n3.071179 -0.000024 0.000000\n-1.535611 2.659674 0.000000\n-0.000000 -0.000000 10.579677\nCa Mn N\n2 2 4\ndirect\n0.666718 0.333429 0.250000 Ca\n0.333303 0.666571 0.750000 Ca\n0.000010 -0.000000 0.500000 Mn\n0.000010 -0.000000 0.000000 Mn\n0.333365 0.666709 0.401752 N\n0.666659 0.333291 0.598249 N\n0.666659 0.333291 0.901752 N\n0.333365 0.666709 0.098248 N\n",
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},
{
"id": "jvasp-27716",
"created_at": "2022-09-04T14:37:05.814452Z",
"updated_at": "2022-09-04T14:37:05.814471Z",
"structure_string": "Ca2 Mn2 Ge4 O12\n1.0\n5.386499 -0.117078 1.079736\n1.227191 6.736973 0.817275\n-0.135222 0.100626 6.894369\nCa Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.307638 0.692363 Ca\n0.250000 0.692362 0.307637 Ca\n0.750000 0.907971 0.092029 Mn\n0.250000 0.092029 0.907972 Mn\n0.768711 0.384698 0.185810 Ge\n0.731289 0.814190 0.615302 Ge\n0.231289 0.615302 0.814190 Ge\n0.268711 0.185810 0.384698 Ge\n0.637917 0.984553 0.792985 O\n0.862083 0.207014 0.015447 O\n0.644799 0.626628 0.107028 O\n0.855202 0.892972 0.373372 O\n0.355202 0.373372 0.892972 O\n0.977276 0.605883 0.677357 O\n0.022725 0.394117 0.322643 O\n0.477275 0.677356 0.605883 O\n0.137917 0.792986 0.984553 O\n0.522725 0.322643 0.394117 O\n0.144799 0.107028 0.626628 O\n0.362083 0.015447 0.207015 O\n",
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{
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"created_at": "2022-09-04T14:37:28.408443Z",
"updated_at": "2022-09-04T14:37:28.408462Z",
"structure_string": "Ca2 Mn2 Ge4 O12\n1.0\n5.386762 -0.116983 1.079899\n1.227478 6.737217 0.816889\n-0.135078 0.100172 6.894622\nCa Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.307632 0.692368 Ca\n0.250000 0.692368 0.307632 Ca\n0.750000 0.907962 0.092039 Mn\n0.250000 0.092039 0.907961 Mn\n0.768720 0.384694 0.185817 Ge\n0.731280 0.814183 0.615306 Ge\n0.231280 0.615306 0.814183 Ge\n0.268720 0.185817 0.384694 Ge\n0.637927 0.984555 0.792997 O\n0.862073 0.207004 0.015446 O\n0.644829 0.626614 0.107051 O\n0.855171 0.892950 0.373387 O\n0.355171 0.373387 0.892949 O\n0.977280 0.605895 0.677352 O\n0.022719 0.394106 0.322648 O\n0.477280 0.677353 0.605894 O\n0.137927 0.792997 0.984554 O\n0.522719 0.322648 0.394106 O\n0.144829 0.107051 0.626613 O\n0.362073 0.015446 0.207003 O\n",
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{
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"created_at": "2022-09-04T14:36:14.566314Z",
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"structure_string": "Ca2 Mn2 Ge2\n1.0\n4.011075 -0.000000 0.000000\n-0.000000 4.011075 -0.000000\n-0.000000 -0.000000 7.429084\nCa Mn Ge\n2 2 2\ndirect\n0.000000 0.499999 0.332128 Ca\n0.499999 0.000000 0.667871 Ca\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.499999 0.798315 Ge\n0.499999 0.000000 0.201684 Ge\n",
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