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{
"id": "mp-767538",
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"structure_string": "Na2 Ce2 P2 C2 O14\n1.0\n7.043758 0.000000 0.000000\n0.000000 5.461328 0.000000\n0.000000 0.328153 9.623581\nNa Ce P C O\n2 2 2 2 14\ndirect\n0.520603 0.759995 0.791281 Na\n0.020603 0.240005 0.208719 Na\n0.231237 0.218225 0.653774 Ce\n0.731237 0.781775 0.346226 Ce\n0.736882 0.279814 0.574709 P\n0.236882 0.720186 0.425291 P\n0.267266 0.276797 0.932959 C\n0.767266 0.723203 0.067041 C\n0.745088 0.691116 0.942128 O\n0.268160 0.058595 0.874683 O\n0.285701 0.459474 0.837250 O\n0.914811 0.218335 0.662931 O\n0.558684 0.175855 0.649348 O\n0.256825 0.831969 0.572005 O\n0.716894 0.563102 0.551496 O\n0.216894 0.436898 0.448504 O\n0.756825 0.168031 0.427995 O\n0.058684 0.824145 0.350652 O\n0.414811 0.781665 0.337069 O\n0.785701 0.540526 0.162750 O\n0.768160 0.941405 0.125317 O\n0.245088 0.308884 0.057872 O\n",
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{
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"structure_string": "Gd2 Y2 Sc2 Sb2 O14\n1.0\n-3.692859 3.731845 5.220400\n3.692859 -3.731845 5.220400\n3.692859 3.731845 -5.220400\nGd Y Sc Sb O\n2 2 2 2 14\ndirect\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.881726 0.631726 0.250000 O\n0.118274 0.368274 0.750000 O\n0.823659 0.073659 0.750000 O\n0.402277 0.652277 0.750000 O\n0.844326 0.674213 0.770471 O\n0.403742 0.073855 0.729529 O\n0.844326 0.073855 0.170112 O\n0.403742 0.674213 0.329888 O\n0.176341 0.926341 0.250000 O\n0.597723 0.347723 0.250000 O\n0.155674 0.325787 0.229529 O\n0.596258 0.926145 0.270471 O\n0.155674 0.926145 0.829888 O\n0.596258 0.325787 0.670112 O\n",
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],
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"formula_full": "Gd2 Y2 Sc2 Sb2 O14",
"formula_reduced": "GdYScSbO7",
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"energy": -205.59200056,
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"spacegroup": 74
},
{
"id": "mp-772778",
"created_at": "2022-09-04T14:45:16.307370Z",
"structure_string": "K2 Hf2 P2 C2 O14\n1.0\n6.647344 0.000000 0.000000\n0.000000 5.783183 0.000000\n0.000000 0.160988 9.974894\nK Hf P C O\n2 2 2 2 14\ndirect\n0.550488 0.747503 0.782133 K\n0.050488 0.252497 0.217867 K\n0.225014 0.222427 0.653420 Hf\n0.725014 0.777573 0.346580 Hf\n0.730810 0.270528 0.551236 P\n0.230810 0.729472 0.448764 P\n0.268216 0.278654 0.905024 C\n0.768216 0.721346 0.094976 C\n0.794825 0.693735 0.974057 O\n0.257241 0.072429 0.844321 O\n0.247860 0.451045 0.813483 O\n0.917486 0.230423 0.640915 O\n0.542188 0.229056 0.637921 O\n0.237056 0.900838 0.566597 O\n0.730966 0.520965 0.493694 O\n0.230966 0.479035 0.506306 O\n0.737056 0.099162 0.433403 O\n0.042188 0.770944 0.362079 O\n0.417486 0.769577 0.359085 O\n0.747860 0.548955 0.186517 O\n0.757241 0.927571 0.155679 O\n0.294825 0.306265 0.025943 O\n",
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"formula_full": "K2 Hf2 P2 C2 O14",
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"updated_at": "2021-11-28T01:36:57.754000Z",
"spacegroup": 4
},
{
"id": "mp-767688",
"created_at": "2022-09-04T14:39:33.230614Z",
"structure_string": "Na2 Nd2 P2 C2 O14\n1.0\n7.162643 0.000000 0.000000\n0.000000 5.298005 0.000000\n0.000000 0.084218 9.743011\nNa Nd P C O\n2 2 2 2 14\ndirect\n0.535971 0.770528 0.769177 Na\n0.035971 0.229472 0.230823 Na\n0.221208 0.220495 0.626633 Nd\n0.721208 0.779505 0.373367 Nd\n0.728327 0.284406 0.583535 P\n0.228327 0.715594 0.416465 P\n0.278649 0.276042 0.929151 C\n0.778649 0.723958 0.070849 C\n0.738870 0.688487 0.945535 O\n0.288872 0.050618 0.880954 O\n0.302891 0.459989 0.843249 O\n0.905428 0.211722 0.664111 O\n0.554040 0.152834 0.644161 O\n0.249158 0.789853 0.571783 O\n0.698735 0.576403 0.584200 O\n0.198735 0.423597 0.415800 O\n0.749158 0.210147 0.428217 O\n0.054040 0.847166 0.355839 O\n0.405428 0.788278 0.335889 O\n0.802891 0.540011 0.156751 O\n0.788872 0.949382 0.119046 O\n0.238870 0.311513 0.054465 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.8942895968021047,
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"formula_full": "Na2 Nd2 P2 C2 O14",
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"updated_at": "2021-11-28T01:34:28.064000Z",
"spacegroup": 4
},
{
"id": "mp-772843",
"created_at": "2022-09-04T14:41:12.282578Z",
"structure_string": "K2 Si2 P2 C2 O14\n1.0\n6.008843 0.000000 0.000000\n0.000000 5.097327 0.000000\n0.000000 0.216692 10.108653\nK Si P C O\n2 2 2 2 14\ndirect\n0.632427 0.751218 0.790213 K\n0.132427 0.248782 0.209787 K\n0.222079 0.232928 0.645567 Si\n0.722079 0.767072 0.354433 Si\n0.725445 0.264633 0.552256 P\n0.225445 0.735367 0.447744 P\n0.256545 0.287426 0.865853 C\n0.756545 0.712574 0.134147 C\n0.798770 0.680526 0.016568 O\n0.234253 0.058471 0.803778 O\n0.235264 0.477634 0.771632 O\n0.925044 0.232371 0.647305 O\n0.524608 0.230333 0.645496 O\n0.224981 0.942505 0.554918 O\n0.722734 0.546672 0.492637 O\n0.222734 0.453328 0.507363 O\n0.724981 0.057495 0.445082 O\n0.024608 0.769667 0.354504 O\n0.425044 0.767629 0.352695 O\n0.735264 0.522366 0.228368 O\n0.734253 0.941529 0.196222 O\n0.298770 0.319474 0.983432 O\n",
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"formula_full": "K2 Si2 P2 C2 O14",
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{
"id": "mp-774684",
"created_at": "2022-09-04T14:41:19.931419Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.248153 0.000000 0.000000\n0.000000 5.246204 0.000000\n0.000000 0.793345 18.346003\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.972047 0.758662 0.880657 Na\n0.472047 0.241338 0.619343 Na\n0.527953 0.758662 0.380657 Na\n0.027953 0.241338 0.119343 Na\n0.266693 0.216982 0.827672 Mn\n0.766693 0.783018 0.672328 Mn\n0.233307 0.216982 0.327672 Mn\n0.733307 0.783018 0.172328 Mn\n0.760196 0.277539 0.782576 P\n0.260196 0.722461 0.717424 P\n0.739804 0.277539 0.282576 P\n0.239804 0.722461 0.217424 P\n0.254577 0.274009 0.957869 C\n0.754577 0.725991 0.542131 C\n0.245423 0.274009 0.457869 C\n0.745423 0.725991 0.042131 C\n0.751966 0.693799 0.976409 O\n0.257906 0.050886 0.927157 O\n0.257611 0.461456 0.906603 O\n0.954064 0.208155 0.832699 O\n0.569660 0.214313 0.833812 O\n0.767642 0.567767 0.761652 O\n0.252905 0.874289 0.786959 O\n0.752905 0.125711 0.713041 O\n0.267642 0.432233 0.738348 O\n0.454064 0.791845 0.667301 O\n0.069660 0.785687 0.666188 O\n0.757611 0.538544 0.593397 O\n0.757906 0.949114 0.572843 O\n0.251966 0.306201 0.523591 O\n0.748034 0.693799 0.476409 O\n0.242094 0.050886 0.427157 O\n0.242389 0.461456 0.406603 O\n0.930340 0.214313 0.333812 O\n0.545936 0.208155 0.332699 O\n0.732358 0.567767 0.261652 O\n0.247095 0.874289 0.286959 O\n0.747095 0.125711 0.213041 O\n0.232358 0.432233 0.238348 O\n0.430340 0.785687 0.166188 O\n0.045936 0.791845 0.167301 O\n0.742389 0.538544 0.093397 O\n0.742094 0.949114 0.072843 O\n0.248034 0.306201 0.023591 O\n",
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{
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"structure_string": "Na2 Ge2 P2 C2 O14\n1.0\n6.320792 0.000000 0.000000\n0.000000 5.130517 0.000000\n0.000000 0.419691 8.974418\nNa Ge P C O\n2 2 2 2 14\ndirect\n0.522540 0.762392 0.775026 Na\n0.022540 0.237608 0.224974 Na\n0.235334 0.216585 0.660956 Ge\n0.735334 0.783415 0.339044 Ge\n0.744816 0.272943 0.564754 P\n0.244816 0.727057 0.435246 P\n0.256261 0.275690 0.920063 C\n0.756261 0.724310 0.079937 C\n0.759419 0.690016 0.945636 O\n0.251089 0.045054 0.855748 O\n0.255399 0.468178 0.811284 O\n0.937090 0.212857 0.665613 O\n0.550229 0.202436 0.661197 O\n0.253135 0.881752 0.579316 O\n0.736840 0.572171 0.518496 O\n0.236840 0.427829 0.481504 O\n0.753135 0.118248 0.420684 O\n0.050229 0.797564 0.338803 O\n0.437090 0.787143 0.334387 O\n0.755399 0.531822 0.188716 O\n0.751089 0.954946 0.144252 O\n0.259419 0.309984 0.054364 O\n",
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{
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"structure_string": "Na2 Ni2 C2 S2 O14\n1.0\n6.553351 0.000000 0.000000\n0.000000 5.182789 0.000000\n0.000000 0.338484 9.045666\nNa Ni C S O\n2 2 2 2 14\ndirect\n0.524089 0.761234 0.760823 Na\n0.024089 0.238766 0.239177 Na\n0.236702 0.217069 0.648583 Ni\n0.736702 0.782931 0.351417 Ni\n0.255574 0.276487 0.917501 C\n0.755574 0.723513 0.082499 C\n0.745858 0.277014 0.574301 S\n0.245858 0.722986 0.425699 S\n0.756126 0.692459 0.945582 O\n0.253443 0.050928 0.860260 O\n0.255712 0.467127 0.820216 O\n0.925677 0.215695 0.666586 O\n0.562425 0.197082 0.661553 O\n0.254508 0.855594 0.569064 O\n0.732037 0.563067 0.540953 O\n0.232037 0.436933 0.459047 O\n0.754508 0.144406 0.430936 O\n0.062425 0.802918 0.338447 O\n0.425677 0.784305 0.333414 O\n0.755712 0.532873 0.179784 O\n0.753443 0.949072 0.139740 O\n0.256126 0.307541 0.054418 O\n",
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{
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},
{
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"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.244345 0.000000 0.000000\n0.000000 9.485604 0.000000\n0.000000 4.845936 8.979383\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.467998 0.261322 0.495400 Li\n0.032002 0.261322 0.995400 Li\n0.532002 0.738678 0.504600 Li\n0.967998 0.738678 0.004600 Li\n0.749348 0.329153 0.688470 Mn\n0.750652 0.329153 0.188470 Mn\n0.250652 0.670847 0.311530 Mn\n0.249348 0.670847 0.811530 Mn\n0.250389 0.424807 0.676113 P\n0.249611 0.424807 0.176113 P\n0.749611 0.575193 0.323887 P\n0.750389 0.575193 0.823887 P\n0.741605 0.047940 0.371501 C\n0.758395 0.047940 0.871501 C\n0.258395 0.952060 0.628499 C\n0.241605 0.952060 0.128499 C\n0.743792 0.102317 0.726414 O\n0.756208 0.102317 0.226414 O\n0.266601 0.093729 0.533207 O\n0.735064 0.170374 0.401355 O\n0.233399 0.093729 0.033207 O\n0.764936 0.170374 0.901355 O\n0.053748 0.324489 0.681288 O\n0.440507 0.312332 0.689316 O\n0.059493 0.312332 0.189316 O\n0.446252 0.324489 0.181288 O\n0.727751 0.414787 0.469300 O\n0.259966 0.463049 0.308969 O\n0.772249 0.414787 0.969300 O\n0.240034 0.463049 0.808969 O\n0.740034 0.536951 0.691031 O\n0.272249 0.585213 0.530700 O\n0.759966 0.536951 0.191031 O\n0.227751 0.585213 0.030700 O\n0.946252 0.675511 0.318712 O\n0.559493 0.687668 0.310684 O\n0.553748 0.675511 0.818712 O\n0.940507 0.687668 0.810684 O\n0.264936 0.829626 0.598645 O\n0.733399 0.906271 0.466793 O\n0.235064 0.829626 0.098645 O\n0.766601 0.906271 0.966793 O\n0.256208 0.897683 0.273586 O\n0.243792 0.897683 0.773586 O\n",
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"formula_full": "Li4 Mn4 P4 C4 O28",
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{
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"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n6.438912 0.000000 0.000000\n0.000000 5.212629 0.000000\n0.000000 0.628567 8.629733\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.981034 0.702804 0.215755 Li\n0.481034 0.297196 0.784245 Li\n0.746945 0.286748 0.351516 Fe\n0.246945 0.713252 0.648484 Fe\n0.254199 0.233840 0.423632 P\n0.754199 0.766160 0.576368 P\n0.752087 0.221434 0.065485 C\n0.252087 0.778566 0.934515 C\n0.446710 0.294524 0.323090 O\n0.761334 0.448423 0.118229 O\n0.277159 0.966859 0.828539 O\n0.777159 0.033141 0.171461 O\n0.561981 0.673432 0.670647 O\n0.768241 0.636639 0.420257 O\n0.946710 0.705476 0.676910 O\n0.261334 0.551577 0.881771 O\n0.061981 0.326568 0.329353 O\n0.239529 0.937305 0.464180 O\n0.713981 0.188113 0.926166 O\n0.213981 0.811887 0.073834 O\n0.739529 0.062695 0.535820 O\n0.268241 0.363361 0.579743 O\n",
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{
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"structure_string": "Na2 Co2 C2 S2 O14\n1.0\n6.646153 0.000000 0.000000\n0.000000 5.160444 0.000000\n0.000000 0.322298 8.939717\nNa Co C S O\n2 2 2 2 14\ndirect\n0.520520 0.765676 0.768472 Na\n0.020520 0.234324 0.231528 Na\n0.235830 0.217205 0.655533 Co\n0.735830 0.782795 0.344467 Co\n0.257091 0.275855 0.917345 C\n0.757091 0.724145 0.082655 C\n0.745719 0.276752 0.572418 S\n0.245719 0.723248 0.427582 S\n0.754257 0.691446 0.946261 O\n0.253433 0.050306 0.853246 O\n0.260535 0.462928 0.812435 O\n0.922820 0.221647 0.666950 O\n0.564683 0.196287 0.658712 O\n0.256364 0.861123 0.572126 O\n0.730897 0.563603 0.535051 O\n0.230897 0.436397 0.464949 O\n0.756364 0.138877 0.427874 O\n0.064683 0.803713 0.341288 O\n0.422820 0.778353 0.333050 O\n0.760535 0.537072 0.187565 O\n0.753433 0.949694 0.146754 O\n0.254257 0.308554 0.053739 O\n",
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]
}