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{
"id": "mp-795772",
"created_at": "2022-09-04T14:41:17.753626Z",
"structure_string": "Rb10 Co4 O8\n1.0\n7.061377 0.000000 0.000000\n-2.949610 -8.844277 0.000000\n0.056163 4.803350 -8.456350\nRb Co O\n10 4 8\ndirect\n0.096690 0.388196 0.221681 Rb\n0.903310 0.611804 0.778319 Rb\n0.097787 0.993334 0.222245 Rb\n0.902213 0.006666 0.777755 Rb\n0.270097 0.098140 0.975642 Rb\n0.729903 0.901860 0.024358 Rb\n0.618853 0.629375 0.363396 Rb\n0.381147 0.370625 0.636604 Rb\n0.378252 0.933957 0.615993 Rb\n0.621748 0.066043 0.384007 Rb\n0.400016 0.634685 0.973949 Co\n0.599984 0.365315 0.026051 Co\n0.015395 0.636433 0.577486 Co\n0.984605 0.363567 0.422514 Co\n0.310816 0.823052 0.954690 O\n0.689184 0.176948 0.045310 O\n0.770946 0.165889 0.520901 O\n0.229054 0.834111 0.479099 O\n0.682489 0.546311 0.047373 O\n0.317511 0.453689 0.952627 O\n0.189211 0.573717 0.314455 O\n0.810789 0.426283 0.685545 O\n",
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{
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"structure_string": "K1 La1 O2\n1.0\n6.387740 -1.866281 0.000000\n6.387740 1.866281 0.000000\n5.842477 0.000000 3.186173\nK La O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 La\n0.769774 0.769774 0.769774 O\n0.230226 0.230226 0.230226 O\n",
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{
"id": "mp-795830",
"created_at": "2022-09-04T14:40:19.708597Z",
"structure_string": "Sr2 Ni4 P4 O16\n1.0\n5.509199 0.000000 0.000000\n-0.970107 6.817869 0.000000\n-1.766073 -3.638577 8.326216\nSr Ni P O\n2 4 4 16\ndirect\n0.240610 0.306632 0.446214 Sr\n0.759390 0.693368 0.553786 Sr\n0.510931 0.925326 0.839136 Ni\n0.489069 0.074674 0.160864 Ni\n0.858135 0.265735 0.939323 Ni\n0.141865 0.734265 0.060677 Ni\n0.891043 0.945257 0.741778 P\n0.108957 0.054743 0.258222 P\n0.346490 0.415473 0.805730 P\n0.653510 0.584527 0.194270 P\n0.661547 0.202413 0.625481 O\n0.338453 0.797587 0.374519 O\n0.247370 0.738914 0.635161 O\n0.752630 0.261086 0.364839 O\n0.145312 0.081646 0.700848 O\n0.854688 0.918354 0.299152 O\n0.843683 0.726558 0.737260 O\n0.156317 0.273442 0.262740 O\n0.545513 0.272861 0.804233 O\n0.454487 0.727139 0.195767 O\n0.119022 0.220857 0.091690 O\n0.880978 0.779143 0.908310 O\n0.492832 0.602456 0.070796 O\n0.507168 0.397544 0.929204 O\n0.878810 0.783630 0.131242 O\n0.121190 0.216370 0.868758 O\n",
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"volume": 312.7409748378961,
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"formula_full": "Sr2 Ni4 P4 O16",
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{
"id": "mp-7959",
"created_at": "2022-09-04T14:48:29.919892Z",
"structure_string": "K1 Er1 O2\n1.0\n6.330380 -1.723000 0.000000\n6.330380 1.723000 0.000000\n5.861414 0.000000 2.947246\nK Er O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Er\n0.772128 0.772128 0.772128 O\n0.227872 0.227872 0.227872 O\n",
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"volume": 64.29266686197208,
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"formula_full": "K1 Er1 O2",
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"formula_anonymous": "ABC2",
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"total_magnetization": 8.3e-06,
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"updated_at": "2021-11-28T01:39:52.782000Z",
"spacegroup": 166
},
{
"id": "mp-795937",
"created_at": "2022-09-04T14:39:07.170081Z",
"structure_string": "Li8 Mo2 O10\n1.0\n5.134602 0.000000 0.000000\n-1.022516 5.078603 0.000000\n-1.600848 -2.843423 7.099979\nLi Mo O\n8 2 10\ndirect\n0.826676 0.210190 0.297971 Li\n0.173324 0.789810 0.702029 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.412701 0.597713 0.902376 Li\n0.587299 0.402287 0.097624 Li\n0.086248 0.393927 0.609993 Li\n0.913752 0.606073 0.390007 Li\n0.327433 0.213671 0.782715 Mo\n0.672567 0.786329 0.217285 Mo\n0.884455 0.918916 0.844953 O\n0.115545 0.081084 0.155047 O\n0.379075 0.896889 0.335770 O\n0.620925 0.103111 0.664230 O\n0.048206 0.739708 0.042041 O\n0.951794 0.260292 0.957959 O\n0.720337 0.486913 0.751096 O\n0.279663 0.513087 0.248904 O\n0.478140 0.333427 0.427248 O\n0.521860 0.666573 0.572752 O\n",
"nsites": 20,
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"elements": [
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"density": 3.653962950205001,
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"volume": 185.14334875043508,
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"formula_full": "Li8 Mo2 O10",
"formula_reduced": "Li4MoO5",
"formula_anonymous": "AB4C5",
"energy": -64.95355925,
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{
"id": "mp-795950",
"created_at": "2022-09-04T14:40:34.123371Z",
"structure_string": "Mo2 H4 O8\n1.0\n3.768351 0.000000 0.000000\n-1.854748 -6.246361 0.000000\n0.257448 3.283187 -7.008083\nMo H O\n2 4 8\ndirect\n0.262271 0.643511 0.204089 Mo\n0.725696 0.337322 0.791704 Mo\n0.956734 0.650274 0.879266 H\n0.464485 0.259579 0.106038 H\n0.525231 0.902624 0.329114 H\n0.505994 0.102861 0.686225 H\n0.329916 0.312729 0.449175 O\n0.667528 0.693313 0.547251 O\n0.239413 0.209850 0.873032 O\n0.770143 0.809228 0.123767 O\n0.119426 0.413774 0.173486 O\n0.884399 0.598499 0.818861 O\n0.437296 0.004364 0.207091 O\n0.582993 0.999458 0.809004 O\n",
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"elements": [
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"density": 3.260556368607332,
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"volume": 164.9596265846425,
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"formula_full": "Mo2 H4 O8",
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{
"id": "mp-796",
"created_at": "2022-09-04T14:47:02.821047Z",
"structure_string": "Nb6 Al2\n1.0\n5.215254 0.000000 0.000000\n0.000000 5.215254 0.000000\n0.000000 0.000000 5.215254\nNb Al\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.750000 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n",
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{
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{
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"structure_string": "Mn1 O2\n1.0\n2.919733 0.000000 0.000000\n-1.459440 2.528810 0.000000\n-0.061845 -1.650324 4.780986\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.537569 0.265252 0.201131 O\n0.462431 0.734748 0.798869 O\n",
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{
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"structure_string": "Sr3 Sn1 O1\n1.0\n5.182565 0.000000 0.000000\n0.000000 5.182565 0.000000\n0.000000 0.000000 5.182565\nSr Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n",
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{
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{
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"total_magnetization": 1.9999912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.242000Z",
"spacegroup": 15
}
]
}