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{
"id": "jvasp-117068",
"created_at": "2022-09-04T14:38:49.872900Z",
"updated_at": "2022-09-04T14:38:49.872928Z",
"structure_string": "La2 Mg2 Fe2 Cu2 O12\n1.0\n5.174842 0.125048 0.000034\n-0.207746 7.824519 -0.000279\n-0.000040 0.000192 5.355620\nLa Mg Fe Cu O\n2 2 2 2 12\ndirect\n0.989363 0.250566 0.040252 La\n0.489364 0.750569 0.459747 La\n0.533319 0.246471 0.559033 Mg\n0.033318 0.746472 0.940968 Mg\n0.501871 0.502500 0.992693 Fe\n0.001872 0.002500 0.507307 Fe\n0.496676 0.000193 0.004756 Cu\n0.996674 0.500194 0.495242 Cu\n0.769497 0.064292 0.761076 O\n0.269496 0.564293 0.738922 O\n0.427231 0.274566 0.949878 O\n0.927230 0.774566 0.550120 O\n0.697927 0.055878 0.306970 O\n0.139246 0.222649 0.485045 O\n0.680984 0.438406 0.293837 O\n0.180983 0.938406 0.206163 O\n0.263881 0.944476 0.737998 O\n0.639245 0.722649 0.014954 O\n0.197926 0.555878 0.193030 O\n0.763883 0.444475 0.761999 O\n",
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{
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"updated_at": "2022-09-04T14:38:40.930551Z",
"structure_string": "Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.781385 0.000000 0.000000\n0.000000 4.644015 3.230815\n0.000000 0.047116 9.728293\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.807584 0.267683 0.247641 Nd\n0.192417 0.267683 0.747640 Nd\n0.738932 0.504163 0.497517 Co\n0.261069 0.504164 0.997517 Co\n0.740603 -0.000068 0.000742 Sb\n0.259398 -0.000068 0.500741 Sb\n0.726807 0.748062 0.747484 Pb\n0.273194 0.748061 0.247485 Pb\n0.019179 0.744224 0.041849 O\n0.980821 0.744225 0.541849 O\n0.778357 0.179246 0.752150 O\n0.221644 0.179245 0.252150 O\n0.735872 0.853137 0.246644 O\n0.553464 0.656717 0.049493 O\n0.962390 0.311486 0.963023 O\n0.037611 0.311485 0.463023 O\n0.548455 0.235359 0.453451 O\n0.446537 0.656717 0.549492 O\n0.264129 0.853138 0.746643 O\n0.451545 0.235359 0.953450 O\n",
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"density_atomic": 0.07683049352682662,
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"volume_molar": 7.8382169416851015,
"formula_full": "Nd2 Co2 Sb2 Pb2 O12",
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"spacegroup": 7
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{
"id": "jvasp-100799",
"created_at": "2022-09-04T14:36:58.453674Z",
"updated_at": "2022-09-04T14:36:58.453699Z",
"structure_string": "Sr1 Ti1 Mn1 Bi1 O6\n1.0\n4.741553 -0.000000 2.737537\n1.580518 4.470379 2.737537\n-0.000000 -0.000000 5.475074\nSr Ti Mn Bi O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Bi\n-0.003559 0.503559 0.503559 O\n0.503559 -0.003559 -0.003558 O\n-0.003559 0.503559 -0.003559 O\n0.503559 -0.003559 0.503559 O\n0.503559 0.503559 -0.003558 O\n-0.003559 -0.003559 0.503559 O\n",
"nsites": 10,
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"density": 7.088457993894346,
"density_atomic": 0.08616780953920535,
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"volume_molar": 6.988852092451064,
"formula_full": "Sr1 Ti1 Mn1 Bi1 O6",
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"spacegroup": 216
},
{
"id": "jvasp-107542",
"created_at": "2022-09-04T14:36:58.314311Z",
"updated_at": "2022-09-04T14:36:58.314326Z",
"structure_string": "Na1 La1 Mg1 Te1 O6\n1.0\n4.813287 -0.006006 2.806793\n1.593562 4.541842 2.806793\n0.002347 0.001661 5.596367\nNa La Mg Te O\n1 1 1 1 6\ndirect\n0.751422 0.751420 0.758790 Na\n0.250651 0.250650 0.239866 La\n0.999572 0.999569 0.999064 Mg\n0.501033 0.501032 0.498601 Te\n0.211803 0.698025 0.785895 O\n0.298498 0.788768 0.216299 O\n0.788770 0.298497 0.216298 O\n0.698027 0.211802 0.785895 O\n0.741007 0.741005 0.340957 O\n0.259226 0.259224 0.658331 O\n",
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],
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"density_atomic": 0.08173151170067855,
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{
"id": "jvasp-101229",
"created_at": "2022-09-04T14:37:00.526410Z",
"updated_at": "2022-09-04T14:37:00.526427Z",
"structure_string": "Ba1 Sr1 Mg1 Te1 O6\n1.0\n4.955637 -0.000000 2.861139\n1.651879 4.672220 2.861139\n-0.000000 -0.000000 5.722277\nBa Sr Mg Te O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Te\n0.741302 0.741302 0.258699 O\n0.258699 0.741302 0.258699 O\n0.741302 0.258698 0.258699 O\n0.258699 0.258698 0.741302 O\n0.741302 0.258698 0.741302 O\n0.258699 0.741302 0.741302 O\n",
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"density_atomic": 0.07547590897274108,
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"formula_full": "Ba1 Sr1 Mg1 Te1 O6",
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"formula_anonymous": "ABCDE6",
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"spacegroup": 216
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{
"id": "jvasp-107365",
"created_at": "2022-09-04T14:36:57.922404Z",
"updated_at": "2022-09-04T14:36:57.922423Z",
"structure_string": "Ba1 La1 Co1 Sb1 O6\n1.0\n4.968061 0.050745 -2.938277\n-1.591894 4.706387 -2.938277\n-0.036014 -0.050745 5.771811\nBa La Co Sb O\n1 1 1 1 6\ndirect\n0.750000 0.250000 0.499999 Ba\n0.250001 0.750001 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000001 Sb\n0.817358 0.325841 0.102801 O\n0.223042 0.714558 0.897199 O\n0.285444 0.182642 0.508484 O\n0.674159 0.776960 0.491516 O\n0.255320 0.255319 -0.000000 O\n0.744681 0.744680 -0.000001 O\n",
"nsites": 10,
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],
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"density": 6.854425535593527,
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"volume": 133.94976500217268,
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"formula_full": "Ba1 La1 Co1 Sb1 O6",
"formula_reduced": "BaLaCoSbO6",
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{
"id": "jvasp-99453",
"created_at": "2022-09-04T14:36:35.510422Z",
"updated_at": "2022-09-04T14:36:35.510443Z",
"structure_string": "Ba1 Sr1 Bi1 Sb1 O6\n1.0\n5.249682 -0.007112 2.898626\n1.707395 4.964274 2.898626\n-0.009981 -0.007112 5.996757\nBa Sr Bi Sb O\n1 1 1 1 6\ndirect\n0.749560 0.749561 0.749563 Ba\n0.261868 0.261868 0.261868 Sr\n0.000908 0.000908 0.000908 Bi\n0.500577 0.500577 0.500578 Sb\n0.812326 0.276491 0.646551 O\n0.276490 0.646550 0.812328 O\n0.646549 0.812326 0.276492 O\n0.206029 0.717078 0.328613 O\n0.717077 0.328611 0.206031 O\n0.328611 0.206030 0.717079 O\n",
"nsites": 10,
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},
{
"id": "jvasp-116646",
"created_at": "2022-09-04T14:38:43.642718Z",
"updated_at": "2022-09-04T14:38:43.642747Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
"nsites": 20,
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{
"id": "jvasp-116771",
"created_at": "2022-09-04T14:38:45.520195Z",
"updated_at": "2022-09-04T14:38:45.520222Z",
"structure_string": "La2 Mn2 Zn2 Fe2 O12\n1.0\n5.473068 0.000096 -0.000035\n0.000105 5.272940 -0.006828\n-0.000016 0.013985 7.536287\nLa Mn Zn Fe O\n2 2 2 2 12\ndirect\n0.005267 0.991840 0.250022 La\n0.494698 0.492165 0.750022 La\n0.500673 0.000578 0.499889 Mn\n0.999326 0.500503 -0.000109 Mn\n0.503620 0.529284 0.250268 Zn\n0.996382 0.029305 0.750277 Zn\n0.500992 0.000678 0.000433 Fe\n0.999003 0.500569 0.500425 Fe\n0.732278 0.735642 0.444203 O\n0.767680 0.235720 0.944184 O\n0.763259 0.228242 0.555413 O\n0.503004 0.927673 0.745253 O\n0.498102 0.139894 0.254982 O\n0.224048 0.226808 0.944377 O\n0.271168 0.719301 0.055131 O\n0.228865 0.219365 0.555144 O\n0.736758 0.728218 0.055410 O\n0.001901 0.639915 0.754987 O\n0.275916 0.726810 0.444441 O\n0.997052 0.427505 0.245252 O\n",
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"formula_full": "La2 Mn2 Zn2 Fe2 O12",
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{
"id": "jvasp-110539",
"created_at": "2022-09-04T14:38:39.665466Z",
"updated_at": "2022-09-04T14:38:39.665487Z",
"structure_string": "Sr1 Nd1 Mn1 Co1 O6\n1.0\n4.672582 0.000000 2.697717\n1.557527 4.405353 2.697717\n0.000000 0.000000 5.395434\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.749999 0.750001 Mn\n0.250000 0.250000 0.250000 Co\n0.500211 0.500211 -0.000211 O\n-0.000211 -0.000211 0.500211 O\n-0.000211 0.500211 0.500211 O\n0.500211 -0.000211 -0.000211 O\n0.500211 -0.000211 0.500211 O\n-0.000211 0.500211 -0.000211 O\n",
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{
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"updated_at": "2022-09-04T14:36:01.127172Z",
"structure_string": "Na2 Tb2 Mn2 W2 O12\n1.0\n5.307674 0.000000 -0.022787\n0.000000 5.449575 0.000000\n0.015067 0.000000 7.687482\nTb Na Mn W O\n2 2 2 2 12\ndirect\n0.736846 0.780054 0.499155 Tb\n0.263154 0.280054 0.500845 Tb\n0.755675 0.691216 0.998177 Na\n0.244325 0.191215 0.001823 Na\n0.247927 0.722740 0.751731 Mn\n0.752073 0.222740 0.248268 Mn\n0.240510 0.723018 0.231510 W\n0.759490 0.223017 0.768489 W\n0.050411 0.429046 0.780259 O\n0.045376 0.428215 0.218976 O\n0.316561 0.738634 -0.003870 O\n0.545601 0.509659 0.694634 O\n0.683438 0.238634 0.003870 O\n0.537795 0.514795 0.305211 O\n0.949589 0.929047 0.219740 O\n0.462205 0.014794 0.694788 O\n0.841554 0.198228 0.501331 O\n0.954624 0.928215 0.781023 O\n0.454399 0.009659 0.305365 O\n0.158446 0.698228 0.498669 O\n",
"nsites": 20,
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],
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"volume_molar": 6.695384881875685,
"formula_full": "Na2 Tb2 Mn2 W2 O12",
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{
"id": "jvasp-110284",
"created_at": "2022-09-04T14:37:54.523034Z",
"updated_at": "2022-09-04T14:37:54.523055Z",
"structure_string": "Ba1 La1 Mn1 Ru1 O6\n1.0\n4.851417 -0.000000 2.800967\n1.617139 4.573960 2.800967\n-0.000000 -0.000000 5.601934\nBa La Mn Ru O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.754267 0.245734 0.245734 O\n0.245734 0.754266 0.754266 O\n0.754267 0.245734 0.754266 O\n0.245734 0.754266 0.245734 O\n0.245734 0.245734 0.754266 O\n0.754267 0.754266 0.245734 O\n",
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}
]
}