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{
"id": "jvasp-101655",
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"updated_at": "2022-09-04T14:36:54.184012Z",
"structure_string": "Mn1 Cu2 Ge1 Te4\n1.0\n5.568323 0.023977 -4.906625\n-1.120467 5.454480 -4.906625\n-0.019466 -0.023977 7.421645\nMn Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.249999 0.750000 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.499999 0.500000 0.000000 Ge\n0.378622 0.886803 0.000000 Te\n0.886802 0.378623 0.000001 Te\n0.113197 0.113197 0.491820 Te\n0.621376 0.621378 0.508180 Te\n",
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{
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"structure_string": "Mn2 Cu4 Ge2 S8\n1.0\n6.263303 0.000000 0.000000\n0.000000 6.508359 0.000000\n0.000000 0.000000 7.594488\nMn Cu Ge S\n2 4 2 8\ndirect\n0.503735 0.839284 0.000000 Mn\n0.003735 0.160716 0.500000 Mn\n0.009695 0.673249 0.750227 Cu\n0.009695 0.673249 0.249773 Cu\n0.509695 0.326752 0.250227 Cu\n0.509695 0.326752 0.749774 Cu\n0.502295 0.828707 0.500000 Ge\n0.002295 0.171293 0.000000 Ge\n0.376966 0.660699 0.742606 S\n0.876966 0.339301 0.757395 S\n0.876966 0.339301 0.242606 S\n0.376966 0.660699 0.257394 S\n0.367022 0.180742 0.000000 S\n0.885033 0.840244 0.000000 S\n0.867022 0.819258 0.500000 S\n0.385033 0.159756 0.500000 S\n",
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{
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"updated_at": "2022-09-04T14:36:41.702598Z",
"structure_string": "Mn1 Cu1 Ag2 O4\n1.0\n2.907658 0.000000 0.000000\n-0.000000 5.197120 1.576250\n-0.000000 0.157408 6.465660\nMn Cu Ag O\n1 1 2 4\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.369881 0.351584 O\n0.000000 0.946885 0.327773 O\n0.500000 0.630120 0.648416 O\n0.000000 0.053115 0.672226 O\n",
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],
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"density_atomic": 0.08248779032269933,
"volume": 96.98405022977718,
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"formula_full": "Mn1 Cu1 Ag2 O4",
"formula_reduced": "MnCu(AgO2)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 10
},
{
"id": "jvasp-110209",
"created_at": "2022-09-04T14:38:17.050713Z",
"updated_at": "2022-09-04T14:38:17.050734Z",
"structure_string": "Mn1 Cr2 Se3 S1\n1.0\n6.156738 -0.033337 2.988411\n5.084630 3.471753 2.988411\n0.014230 0.004353 6.292883\nMn Cr Se S\n1 2 3 1\ndirect\n0.998784 0.998779 0.985951 Mn\n0.744125 0.744122 0.238457 Cr\n0.261828 0.261826 0.760808 Cr\n0.123181 0.123180 0.206061 Se\n0.636289 0.636286 0.696527 Se\n0.369665 0.369664 0.297607 Se\n0.866138 0.866134 0.814586 S\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.0516940880786453,
"volume": 135.41200280679064,
"volume_molar": 11.649573449942976,
"formula_full": "Mn1 Cr2 Se3 S1",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 8
},
{
"id": "jvasp-43117",
"created_at": "2022-09-04T14:35:56.628150Z",
"updated_at": "2022-09-04T14:35:56.628175Z",
"structure_string": "Mn3 Cr2 Sb3 O16\n1.0\n6.050181 0.027054 0.038028\n-3.001662 5.199077 -0.000013\n0.055950 0.032304 8.835247\nMn Cr Sb O\n3 2 3 16\ndirect\n0.660847 0.830431 0.214491 Mn\n0.826798 0.661613 0.708986 Mn\n0.826795 0.165198 0.708987 Mn\n0.342179 0.671098 0.497254 Cr\n0.684248 0.342133 0.981261 Cr\n0.163325 0.830491 0.209588 Sb\n0.163324 0.332850 0.209589 Sb\n0.328339 0.164176 0.708442 Sb\n0.831357 0.668223 0.104204 O\n0.676308 0.338162 0.597647 O\n0.537343 0.049742 0.840884 O\n0.537346 0.487616 0.840882 O\n0.669986 0.835002 0.601273 O\n0.336064 0.168046 0.093739 O\n0.477917 0.526405 0.339470 O\n0.012206 0.006106 0.329801 O\n0.160521 0.336068 0.601694 O\n0.982437 0.991225 0.815152 O\n0.950610 0.475314 0.831954 O\n0.317511 0.658768 0.084196 O\n0.044736 0.522372 0.350871 O\n0.160523 0.824469 0.601695 O\n0.477921 0.951533 0.339467 O\n0.831356 0.163152 0.104205 O\n",
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"elements": [
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],
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"formula_full": "Mn3 Cr2 Sb3 O16",
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{
"id": "jvasp-108099",
"created_at": "2022-09-04T14:36:11.817650Z",
"updated_at": "2022-09-04T14:36:11.817683Z",
"structure_string": "Mn1 Cr1 Ni4 Sn2\n1.0\n4.087954 0.000741 6.158216\n1.858479 3.641075 6.158216\n0.001210 0.000741 7.391549\nMn Cr Ni Sn\n1 1 4 2\ndirect\n0.500000 0.499999 0.500001 Mn\n0.000000 0.000000 0.000000 Cr\n0.623334 0.623332 0.623335 Ni\n0.126567 0.126567 0.126568 Ni\n0.873433 0.873431 0.873435 Ni\n0.376666 0.376666 0.376667 Ni\n0.251266 0.251265 0.251267 Sn\n0.748734 0.748733 0.748736 Sn\n",
"nsites": 8,
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],
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"density_atomic": 0.07274553793859487,
"volume": 109.97238080434389,
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"formula_full": "Mn1 Cr1 Ni4 Sn2",
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},
{
"id": "jvasp-116676",
"created_at": "2022-09-04T14:38:50.864813Z",
"updated_at": "2022-09-04T14:38:50.864839Z",
"structure_string": "Mn2 Cr3 Ga1 S8\n1.0\n6.205985 0.006784 3.602238\n2.077397 5.847967 3.602238\n0.009598 0.006784 7.175672\nMn Cr Ga S\n2 3 1 8\ndirect\n0.374968 0.374967 0.374968 Mn\n0.625033 0.625032 0.625033 Mn\n0.500000 -0.000000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Ga\n0.240000 0.240000 0.240000 S\n0.779271 0.243546 0.243548 S\n0.243547 0.243546 0.779271 S\n0.243547 0.779271 0.243547 S\n0.760000 0.759999 0.760000 S\n0.220730 0.756453 0.756453 S\n0.756453 0.756453 0.220730 S\n0.756453 0.220728 0.756453 S\n",
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],
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"density_atomic": 0.053842353511409466,
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"formula_full": "Mn2 Cr3 Ga1 S8",
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},
{
"id": "jvasp-111800",
"created_at": "2022-09-04T14:38:41.480427Z",
"updated_at": "2022-09-04T14:38:41.480453Z",
"structure_string": "Mn1 Cr8 Cu3 S16\n1.0\n6.959776 0.000000 0.000000\n0.000000 6.959776 0.000000\n0.000000 -0.000000 9.835479\nMn Cr Cu S\n1 8 3 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.753667 0.000000 0.623879 Cr\n0.250992 0.500000 0.123932 Cr\n0.246334 0.000000 0.623879 Cr\n0.749008 0.500000 0.123932 Cr\n0.000000 0.246334 0.376121 Cr\n0.500000 0.749008 0.876068 Cr\n0.500000 0.250992 0.876068 Cr\n0.000000 0.753667 0.376121 Cr\n0.000000 0.500000 0.751655 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.248346 Cu\n0.233600 0.000000 0.382260 S\n0.000000 0.766400 0.617741 S\n0.500000 0.265653 0.116107 S\n0.265653 0.500000 0.883893 S\n0.766400 0.000000 0.382260 S\n0.734348 0.500000 0.883893 S\n0.000000 0.267027 0.135103 S\n0.267027 0.000000 0.864897 S\n0.000000 0.732974 0.135103 S\n0.500000 0.244014 0.626296 S\n0.732974 0.000000 0.864897 S\n0.244014 0.500000 0.373704 S\n0.500000 0.734348 0.116107 S\n0.755986 0.500000 0.373704 S\n0.500000 0.755986 0.626296 S\n0.000000 0.233600 0.617741 S\n",
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"formula_full": "Mn1 Cr8 Cu3 S16",
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},
{
"id": "jvasp-113081",
"created_at": "2022-09-04T14:38:45.018748Z",
"updated_at": "2022-09-04T14:38:45.018771Z",
"structure_string": "Mn2 Cr2 Co2 O8\n1.0\n5.099494 0.029569 -2.864467\n-1.729662 4.783575 -2.887310\n-0.005482 -0.029569 5.848930\nMn Cr Co O\n2 2 2 8\ndirect\n0.123946 0.873946 0.250001 Mn\n0.876054 0.126055 0.750000 Mn\n0.500000 0.500001 0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.737023 0.262141 0.025117 O\n0.737023 0.711907 0.474883 O\n0.728362 0.259779 0.468584 O\n0.291195 0.259779 0.031416 O\n0.262978 0.737860 0.974883 O\n0.262977 0.288094 0.525117 O\n0.271638 0.740222 0.531417 O\n0.708805 0.740222 0.968584 O\n",
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"spacegroup": 74
},
{
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"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.624928 -0.012678 -0.022173\n-2.823442 4.890179 0.000029\n-0.035792 -0.020590 8.652552\nMn Cr Co O\n3 2 3 16\ndirect\n0.662292 0.831154 0.213826 Mn\n0.831796 0.663108 0.713163 Mn\n0.831790 0.168701 0.713168 Mn\n0.326374 0.663198 0.493126 Cr\n0.659943 0.329982 0.997927 Cr\n0.168801 0.832671 0.208759 Co\n0.168801 0.336148 0.208760 Co\n0.336198 0.168105 0.708354 Co\n0.828208 0.656818 0.098414 O\n0.668955 0.334487 0.597125 O\n0.519766 0.043265 0.839267 O\n0.519768 0.476514 0.839263 O\n0.660598 0.830309 0.597110 O\n0.341250 0.170637 0.100421 O\n0.478455 0.519205 0.340032 O\n0.003701 0.001854 0.316923 O\n0.170588 0.340161 0.598749 O\n0.000976 0.000493 0.820477 O\n0.964117 0.482066 0.840758 O\n0.332308 0.666167 0.098108 O\n0.048067 0.524038 0.334803 O\n0.170590 0.830444 0.598747 O\n0.478459 0.959266 0.340027 O\n0.828210 0.171411 0.098415 O\n",
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{
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"updated_at": "2022-09-04T14:36:51.261660Z",
"structure_string": "Mn1 Co1 Sn1 Rh1\n1.0\n3.767307 0.000000 2.175055\n1.255769 3.551851 2.175055\n-0.000000 -0.000000 4.350111\nMn Co Sn Rh\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750001 0.750000 0.750001 Co\n0.500001 0.500000 0.500001 Sn\n0.250000 0.250000 0.250000 Rh\n",
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],
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},
{
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"created_at": "2022-09-04T14:38:18.389911Z",
"updated_at": "2022-09-04T14:38:18.389931Z",
"structure_string": "Mn1 Co1 Sn1 Pd1\n1.0\n3.811298 -0.000000 2.200454\n1.270433 3.593326 2.200454\n-0.000000 -0.000000 4.400908\nMn Co Sn Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750001 0.749999 Co\n0.500000 0.500000 0.499999 Sn\n0.250000 0.250000 0.250000 Pd\n",
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}
]
}