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{
"id": "jvasp-116765",
"created_at": "2022-09-04T14:38:52.841260Z",
"updated_at": "2022-09-04T14:38:52.841296Z",
"structure_string": "Sr2 La4 Mn4 O14\n1.0\n5.358649 -0.000211 -1.453666\n-0.000220 5.485541 0.000026\n-0.018072 0.000043 10.535704\nSr La Mn O\n2 4 4 14\ndirect\n0.676733 0.000087 0.364817 Sr\n0.188134 0.500021 0.364896 Sr\n0.505243 -0.000081 0.007019 La\n0.002622 0.499980 0.007304 La\n0.827923 0.499933 0.633846 La\n0.305276 0.000139 0.633805 La\n0.901437 -0.000026 0.806677 Mn\n0.096075 -0.000025 0.197086 Mn\n0.405073 0.500010 0.806681 Mn\n0.601252 0.500035 0.197072 Mn\n0.335808 0.249855 0.171093 O\n0.849307 0.750115 0.198582 O\n0.643072 0.250011 0.786303 O\n0.162717 0.749872 0.825822 O\n0.163061 0.249902 0.826099 O\n0.642719 0.750171 0.785995 O\n0.255478 0.499593 0.606248 O\n0.948448 -0.000355 0.995388 O\n0.232147 -0.000001 0.407024 O\n0.674833 0.499979 0.407045 O\n0.335623 0.749907 0.171203 O\n0.850471 0.000323 0.606227 O\n0.547082 0.500399 0.995369 O\n0.849469 0.250148 0.198394 O\n",
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"formula_full": "Sr2 La4 Mn4 O14",
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{
"id": "jvasp-101692",
"created_at": "2022-09-04T14:36:34.537668Z",
"updated_at": "2022-09-04T14:36:34.537691Z",
"structure_string": "Sr1 La1 Mn1 O4\n1.0\n3.715569 -0.000000 1.075185\n-0.311130 3.702520 1.075185\n0.022149 0.024088 6.881084\nSr La Mn O\n1 1 1 4\ndirect\n0.358469 0.358469 0.283062 Sr\n0.641632 0.641633 0.716736 La\n0.996963 0.996963 0.006076 Mn\n0.504676 0.004676 0.990648 O\n0.004675 0.504676 0.990648 O\n0.165254 0.165254 0.669491 O\n0.828331 0.828331 0.343339 O\n",
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"elements": [
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],
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"density": 6.072290416002309,
"density_atomic": 0.07409728687809461,
"volume": 94.47039554250415,
"volume_molar": 8.12734313728338,
"formula_full": "Sr1 La1 Mn1 O4",
"formula_reduced": "SrLaMnO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 107
},
{
"id": "jvasp-89907",
"created_at": "2022-09-04T14:36:09.179274Z",
"updated_at": "2022-09-04T14:36:09.179294Z",
"structure_string": "La2 Mn2 Se2 O3\n1.0\n4.128398 -0.000000 0.000000\n-0.000000 4.128398 0.000000\n-2.064199 -2.064199 9.445407\nLa Mn Se O\n2 2 2 3\ndirect\n0.314102 0.314102 0.628202 La\n0.685899 0.685899 0.371798 La\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.901107 0.901107 0.802213 Se\n0.098893 0.098893 0.197787 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "La-Mn-O-Se",
"density": 6.122982551952806,
"density_atomic": 0.05590603797487404,
"volume": 160.98440036199466,
"volume_molar": 10.771896879379186,
"formula_full": "La2 Mn2 Se2 O3",
"formula_reduced": "La2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
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"spacegroup": 139
},
{
"id": "jvasp-7849",
"created_at": "2022-09-04T14:36:33.495859Z",
"updated_at": "2022-09-04T14:36:33.495868Z",
"structure_string": "La2 Mn2 Sb2 O2\n1.0\n4.208406 0.000000 -0.000000\n0.000000 4.208406 0.000000\n-0.000000 0.000000 9.355220\nLa Mn Sb O\n2 2 2 2\ndirect\n0.500001 0.000000 0.875330 La\n0.000000 0.500001 0.124670 La\n0.000000 0.000000 0.500000 Mn\n0.500001 0.500001 0.500000 Mn\n0.500001 0.000000 0.328040 Sb\n0.000000 0.500001 0.671960 Sb\n0.000000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 8,
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"elements": [
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"density": 6.646731960976141,
"density_atomic": 0.0482837196733591,
"volume": 165.68731767395417,
"volume_molar": 12.472404364742347,
"formula_full": "La2 Mn2 Sb2 O2",
"formula_reduced": "LaMnSbO",
"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "jvasp-97345",
"created_at": "2022-09-04T14:36:04.018423Z",
"updated_at": "2022-09-04T14:36:04.018446Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.547815 0.000000 0.000000\n-0.000000 5.546901 0.000000\n0.000000 0.000000 7.825193\nLa Mn O\n4 4 12\ndirect\n0.005709 0.969342 0.750000 La\n0.494290 0.469343 0.750000 La\n0.505709 0.530657 0.250000 La\n0.994290 0.030657 0.250000 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.780708 0.781541 0.036858 O\n0.719291 0.281541 0.463142 O\n0.719291 0.281541 0.036858 O\n0.569040 0.010888 0.750000 O\n0.430959 0.989112 0.250000 O\n0.219291 0.218459 0.963141 O\n0.280708 0.718459 0.536858 O\n0.219291 0.218459 0.536858 O\n0.780708 0.781541 0.463142 O\n0.069040 0.489112 0.250000 O\n0.280708 0.718459 0.963141 O\n0.930959 0.510888 0.750000 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "La-Mn-O",
"density": 6.670722273622066,
"density_atomic": 0.08305438231882764,
"volume": 240.80607719439013,
"volume_molar": 7.250840463640216,
"formula_full": "La4 Mn4 O12",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-107088",
"created_at": "2022-09-04T14:37:00.545701Z",
"updated_at": "2022-09-04T14:37:00.545731Z",
"structure_string": "La2 Mn2 O6\n1.0\n5.489518 -0.000030 0.000983\n-2.745428 3.879430 2.744249\n-0.001380 0.000027 5.489517\nLa Mn O\n2 2 6\ndirect\n0.000002 0.000000 0.000002 La\n0.499997 0.000001 0.499996 La\n0.250000 0.500000 0.250000 Mn\n0.750000 0.500000 0.750000 Mn\n0.499997 0.499997 0.000004 O\n0.000004 0.500003 0.499997 O\n0.500002 0.500000 0.500002 O\n-0.000001 0.500000 -0.000002 O\n0.500003 0.000014 -0.000003 O\n-0.000003 -0.000014 0.500003 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "La-Mn-O",
"density": 6.87032386900844,
"density_atomic": 0.08553953857847604,
"volume": 116.9050028347506,
"volume_molar": 7.040183826190672,
"formula_full": "La2 Mn2 O6",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-117134",
"created_at": "2022-09-04T14:38:50.838304Z",
"updated_at": "2022-09-04T14:38:50.838330Z",
"structure_string": "La6 Mn2 O14\n1.0\n5.311074 0.000000 0.000000\n-0.000000 5.328689 1.464310\n-0.000000 0.047274 10.546288\nLa Mn O\n6 2 14\ndirect\n0.239139 0.403569 0.140203 La\n0.245434 0.063541 0.855088 La\n0.234509 0.241622 0.500280 La\n0.739139 0.596431 0.859797 La\n0.745434 0.936459 0.144912 La\n0.734509 0.758378 0.499720 La\n0.236997 0.648713 0.676073 Mn\n0.736996 0.351287 0.323927 Mn\n0.735530 0.308497 0.495145 O\n0.484953 0.418705 0.709134 O\n0.499837 0.103907 0.326536 O\n0.477283 0.900589 0.668195 O\n0.497267 0.589544 0.291831 O\n0.219654 0.024558 0.075865 O\n-0.000163 0.896092 0.673464 O\n0.235530 0.691503 0.504855 O\n0.977283 0.099410 0.331805 O\n0.739361 0.406401 0.099494 O\n0.997267 0.410456 0.708169 O\n0.984952 0.581294 0.290866 O\n0.239362 0.593598 0.900507 O\n0.719653 0.975441 0.924135 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "La-Mn-O",
"density": 6.502265623802251,
"density_atomic": 0.07379987308474015,
"volume": 298.10349368404286,
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"formula_full": "La6 Mn2 O14",
"formula_reduced": "La3MnO7",
"formula_anonymous": "AB3C7",
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"spacegroup": 4
},
{
"id": "jvasp-92598",
"created_at": "2022-09-04T14:36:09.008972Z",
"updated_at": "2022-09-04T14:36:09.009004Z",
"structure_string": "La1 Mn1 O3\n1.0\n3.885552 -0.000000 0.000000\n-0.000000 3.885552 0.000000\n0.000000 0.000000 3.885552\nLa Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"formula_full": "La1 Mn1 O3",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-89038",
"created_at": "2022-09-04T14:35:54.484873Z",
"updated_at": "2022-09-04T14:35:54.484895Z",
"structure_string": "La1 Mn1 O3\n1.0\n3.885543 0.000000 -0.000000\n-0.000000 3.885543 -0.000000\n0.000000 0.000000 3.885543\nLa Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.500001 Mn\n0.000000 0.500001 0.500001 O\n0.500001 0.000000 0.500001 O\n0.500001 0.500001 0.000000 O\n",
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"formula_full": "La1 Mn1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-59582",
"created_at": "2022-09-04T14:37:47.967139Z",
"updated_at": "2022-09-04T14:37:47.967148Z",
"structure_string": "La2 Mn2 O6\n1.0\n4.802986 -0.012673 2.676302\n1.566631 4.540320 2.676302\n-0.017829 -0.012673 5.498268\nLa Mn O\n2 2 6\ndirect\n0.750000 0.750001 0.749999 La\n0.250000 0.250000 0.250000 La\n0.500000 0.500001 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.313593 0.750000 0.186407 O\n0.750000 0.186408 0.313592 O\n0.186407 0.313594 0.750000 O\n0.686407 0.250001 0.813592 O\n0.813593 0.686408 0.249999 O\n0.250000 0.813593 0.686407 O\n",
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"formula_full": "La2 Mn2 O6",
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"spacegroup": 167
},
{
"id": "jvasp-116753",
"created_at": "2022-09-04T14:38:51.268844Z",
"updated_at": "2022-09-04T14:38:51.268866Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.208257 -0.000860 1.733234\n-0.577185 5.176169 1.733253\n0.004704 0.005224 8.676477\nLa Mn O\n4 4 12\ndirect\n0.750000 0.750000 0.499998 La\n0.499996 0.500004 -0.000000 La\n0.250000 0.250000 0.499999 La\n0.000003 0.999996 -0.000000 La\n0.374996 0.874997 0.250000 Mn\n0.125002 0.625002 0.750000 Mn\n0.625000 0.125000 0.750000 Mn\n0.875000 0.375000 0.250000 Mn\n0.124998 0.124997 0.250000 O\n0.375000 0.375002 0.750001 O\n0.000021 0.500022 0.000001 O\n0.249999 0.750000 0.500000 O\n0.499979 -0.000022 -0.000001 O\n0.625005 0.125004 0.249986 O\n0.124992 0.624994 0.250011 O\n0.375006 0.875005 0.749990 O\n0.875004 0.875003 0.750000 O\n0.874994 0.374996 0.750015 O\n0.750000 0.250000 0.500000 O\n0.624995 0.624997 0.250000 O\n",
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"formula_full": "La4 Mn4 O12",
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},
{
"id": "jvasp-11795",
"created_at": "2022-09-04T14:37:05.790574Z",
"updated_at": "2022-09-04T14:37:05.790608Z",
"structure_string": "La2 Mn2 O6\n1.0\n4.736237 0.035848 2.791553\n1.610889 4.562320 2.795283\n-0.000503 0.002082 5.587785\nLa Mn O\n2 2 6\ndirect\n0.750001 0.750820 0.749178 La\n0.250000 0.249180 0.250819 La\n0.500001 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.246536 0.685327 0.253538 O\n0.253466 0.246461 0.814671 O\n0.753466 0.314673 0.746459 O\n0.746536 0.753539 0.185326 O\n0.250001 0.812040 0.687958 O\n0.750001 0.187960 0.312039 O\n",
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"formula_full": "La2 Mn2 O6",
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"formula_anonymous": "ABC3",
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"spacegroup": 167
}
]
}