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{
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"results": [
{
"id": "mp-30504",
"created_at": "2022-09-04T14:40:59.721143Z",
"structure_string": "Ce1 Mg2 Cu1\n1.0\n0.000000 3.498245 3.498245\n3.498245 0.000000 3.498245\n3.498245 3.498245 0.000000\nCe Mg Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Cu\n",
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{
"id": "mp-684539",
"created_at": "2022-09-04T14:40:59.735910Z",
"structure_string": "Li12 Sb8 P12 O48\n1.0\n9.171822 0.000000 0.000000\n0.000000 9.128596 0.000000\n0.000000 8.773198 13.307290\nLi Sb P O\n12 8 12 48\ndirect\n0.262720 0.400383 0.314210 Li\n0.737280 0.599617 0.685790 Li\n0.758628 0.995353 0.313078 Li\n0.241372 0.004647 0.686922 Li\n0.258628 0.004647 0.186922 Li\n0.906552 0.778846 0.281808 Li\n0.406552 0.221154 0.218192 Li\n0.741372 0.995353 0.813078 Li\n0.593448 0.778846 0.781808 Li\n0.237280 0.400383 0.814210 Li\n0.762720 0.599617 0.185790 Li\n0.093448 0.221154 0.718192 Li\n0.551258 0.341724 0.900383 Sb\n0.945744 0.171127 0.087026 Sb\n0.948742 0.341724 0.400383 Sb\n0.054256 0.828873 0.912974 Sb\n0.445744 0.828873 0.412974 Sb\n0.051258 0.658276 0.599617 Sb\n0.554256 0.171127 0.587026 Sb\n0.448742 0.658276 0.099617 Sb\n0.099810 0.052180 0.345061 P\n0.417482 0.734038 0.660717 P\n0.082518 0.734038 0.160717 P\n0.599810 0.947820 0.154939 P\n0.582518 0.265962 0.339283 P\n0.244666 0.419989 0.509162 P\n0.755334 0.580011 0.490838 P\n0.255334 0.419989 0.009162 P\n0.917482 0.265962 0.839283 P\n0.744666 0.580011 0.990838 P\n0.400190 0.052180 0.845061 P\n0.900190 0.947820 0.654939 P\n0.868294 0.580962 0.419442 O\n0.848084 0.421371 0.040315 O\n0.336371 0.245827 0.574268 O\n0.330567 0.408922 0.924836 O\n0.460642 0.791571 0.552019 O\n0.955105 0.619025 0.231845 O\n0.387312 0.894944 0.957639 O\n0.631706 0.580962 0.919442 O\n0.092138 0.227770 0.342547 O\n0.163629 0.245827 0.074268 O\n0.257672 0.062656 0.790244 O\n0.830567 0.591078 0.575164 O\n0.534460 0.030117 0.795078 O\n0.090043 0.898784 0.166193 O\n0.151916 0.578629 0.959685 O\n0.612688 0.105056 0.042361 O\n0.131706 0.419038 0.580558 O\n0.044895 0.380975 0.768155 O\n0.465540 0.969883 0.204922 O\n0.742328 0.937344 0.209756 O\n0.836371 0.754173 0.925732 O\n0.590043 0.101216 0.333807 O\n0.112688 0.894944 0.457639 O\n0.409957 0.898784 0.666193 O\n0.544895 0.619025 0.731845 O\n0.242328 0.062656 0.290244 O\n0.887312 0.105056 0.542361 O\n0.227369 0.632794 0.193497 O\n0.727369 0.367206 0.306503 O\n0.407862 0.227770 0.842547 O\n0.772631 0.367206 0.806503 O\n0.909957 0.101216 0.833807 O\n0.757672 0.937344 0.709756 O\n0.539358 0.208429 0.447981 O\n0.960642 0.208429 0.947981 O\n0.272631 0.632794 0.693497 O\n0.669433 0.591078 0.075164 O\n0.169433 0.408922 0.424837 O\n0.348084 0.578629 0.459685 O\n0.907862 0.772230 0.657453 O\n0.965540 0.030117 0.295078 O\n0.592138 0.772230 0.157453 O\n0.663629 0.754173 0.425732 O\n0.455105 0.380975 0.268155 O\n0.039358 0.791571 0.052019 O\n0.368294 0.419038 0.080558 O\n0.651916 0.421371 0.540315 O\n0.034460 0.969883 0.704922 O\n",
"nsites": 80,
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"elements": [
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"Sb",
"P",
"O"
],
"chemical_system": "Li-O-P-Sb",
"density": 3.274428646507034,
"density_atomic": 0.07180269759744576,
"volume": 1114.1642678734934,
"volume_molar": 8.387067563620654,
"formula_full": "Li12 Sb8 P12 O48",
"formula_reduced": "Li3Sb2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -556.05761698,
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"updated_at": "2021-11-28T01:35:11.873000Z",
"spacegroup": 14
},
{
"id": "mp-1289193",
"created_at": "2022-09-04T14:40:59.346905Z",
"structure_string": "K4 Co4 O8\n1.0\n4.980217 -0.165053 -2.516717\n1.814733 4.634512 2.528199\n2.961935 -4.463148 6.104342\nK Co O\n4 4 8\ndirect\n0.999451 0.500021 0.247024 K\n0.499987 0.000550 0.752977 K\n0.500731 0.499273 0.999999 K\n0.999817 0.000184 0.499999 K\n0.499471 0.500536 0.499996 Co\n0.001243 0.501610 0.747105 Co\n0.498399 0.998769 0.252887 Co\n0.999107 0.000900 0.999993 Co\n0.314860 0.543330 0.690363 O\n0.822440 0.043211 0.196429 O\n0.456644 0.685152 0.309652 O\n0.956768 0.177568 0.803579 O\n0.308680 0.079641 0.066882 O\n0.799501 0.577425 0.572049 O\n0.920353 0.691323 0.933117 O\n0.422551 0.200507 0.427948 O\n",
"nsites": 16,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 3.4189957342525976,
"density_atomic": 0.06333808156514309,
"volume": 252.6126400520046,
"volume_molar": 9.507930475927408,
"formula_full": "K4 Co4 O8",
"formula_reduced": "KCoO2",
"formula_anonymous": "ABC2",
"energy": -96.15985701,
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"updated_at": "2021-11-28T01:35:08.424000Z",
"spacegroup": 5
},
{
"id": "mp-707409",
"created_at": "2022-09-04T14:40:59.351237Z",
"structure_string": "Ca24 Bi36 O75\n1.0\n14.340285 0.320785 -4.470890\n7.326040 7.846692 -2.296732\n0.853417 -0.174073 22.701861\nCa Bi O\n24 36 75\ndirect\n0.142377 0.323251 0.841355 Ca\n0.132259 0.312482 0.502403 Ca\n0.534297 0.222788 0.804468 Ca\n0.168349 0.750245 0.844068 Ca\n0.171769 0.381688 0.145678 Ca\n0.270284 0.677897 0.487829 Ca\n0.419544 0.253759 0.506301 Ca\n0.601993 0.497460 0.790931 Ca\n0.305296 0.900393 0.798918 Ca\n0.490272 0.194108 0.178486 Ca\n0.170423 0.701788 0.183792 Ca\n0.655456 0.214829 0.452594 Ca\n0.493726 0.657812 0.492401 Ca\n0.926790 0.244389 0.862309 Ca\n0.623272 0.802768 0.875110 Ca\n0.707257 0.150913 0.113065 Ca\n0.643161 0.508629 0.190216 Ca\n0.924931 0.195020 0.487192 Ca\n0.756489 0.822479 0.489058 Ca\n0.833183 0.837230 0.834870 Ca\n0.953567 0.172445 0.176364 Ca\n0.748330 0.727301 0.204356 Ca\n0.025108 0.733173 0.495841 Ca\n0.908210 0.793988 0.173604 Ca\n0.050404 0.948347 0.631162 Bi\n0.169699 0.018759 0.403064 Bi\n0.117077 0.213400 0.656457 Bi\n0.183488 0.548156 0.951343 Bi\n0.421457 0.899126 0.104836 Bi\n0.085865 0.331586 0.257889 Bi\n0.170325 0.474122 0.753328 Bi\n0.442778 0.005023 0.731552 Bi\n0.337155 0.544725 0.699185 Bi\n0.637193 0.991427 0.662407 Bi\n0.133903 0.255908 0.992616 Bi\n0.192395 0.493575 0.370543 Bi\n0.353002 0.052117 0.398681 Bi\n0.389934 0.498566 0.330284 Bi\n0.552171 0.032242 0.333899 Bi\n0.615370 0.275157 0.604067 Bi\n0.416889 0.731780 0.641103 Bi\n0.618201 0.581055 0.953275 Bi\n0.850867 0.087901 0.928533 Bi\n0.394859 0.537029 0.101845 Bi\n0.106432 -0.011934 0.034622 Bi\n0.689679 0.213122 0.261034 Bi\n0.326116 0.832812 0.257724 Bi\n0.758982 0.516888 0.595813 Bi\n0.862868 0.028227 0.743241 Bi\n0.865290 0.477681 0.762481 Bi\n0.568731 0.231452 0.962723 Bi\n0.325959 0.787502 0.960348 Bi\n0.630449 0.576946 0.361224 Bi\n0.035742 0.916466 0.309301 Bi\n0.893282 0.517878 0.374572 Bi\n0.927685 0.660131 0.628565 Bi\n0.878812 0.472080 0.088691 Bi\n0.572049 0.957532 0.029695 Bi\n0.869400 0.860584 0.350267 Bi\n0.873501 0.784702 0.011482 Bi\n0.215988 0.914937 0.874436 O\n0.039467 0.237917 0.805093 O\n0.189303 0.331355 0.942533 O\n0.268348 0.884098 0.486595 O\n0.013064 0.257711 0.444866 O\n0.072624 0.387245 0.593527 O\n0.301432 0.117367 0.787894 O\n0.212104 0.494528 0.855492 O\n0.126109 0.702032 0.740832 O\n0.359213 0.306607 0.734759 O\n0.276992 0.772551 0.167302 O\n0.608386 0.000825 0.949231 O\n0.200355 0.739860 0.950742 O\n0.030914 0.197361 0.105498 O\n0.252790 0.219997 0.231094 O\n0.344418 0.131694 0.490937 O\n0.222571 0.508548 0.467779 O\n0.136912 0.760925 0.388959 O\n0.142895 0.332455 0.362059 O\n0.699460 0.099016 0.885910 O\n0.427240 0.515518 0.790681 O\n0.007244 0.494104 0.043271 O\n0.492420 0.249820 0.620033 O\n0.144194 0.786184 0.560487 O\n0.703036 0.059689 0.751565 O\n0.228111 0.838166 0.696316 O\n0.732745 0.345372 0.889869 O\n0.510983 0.724941 0.871401 O\n0.554991 0.925489 0.140339 O\n0.289696 0.437196 0.154626 O\n0.005839 0.771797 0.096063 O\n0.271387 0.167088 0.076617 O\n0.627734 0.124541 0.521263 O\n0.468060 0.509359 0.552744 O\n0.533629 0.213516 0.288960 O\n0.221631 0.781348 0.283068 O\n0.506476 0.491998 0.683648 O\n0.424201 0.227721 0.396023 O\n0.465848 0.492665 0.423633 O\n0.557917 0.691693 0.601163 O\n0.725327 0.441340 0.507085 O\n0.940991 0.954019 0.839205 O\n0.793620 0.538210 0.843765 O\n0.802068 0.267758 0.764469 O\n0.484678 0.761110 0.737570 O\n0.719166 0.012946 0.201076 O\n0.543221 0.359363 0.174146 O\n0.490288 0.539281 0.298915 O\n0.982806 0.184008 0.967625 O\n0.693165 0.700849 0.978940 O\n0.513493 0.262647 0.049370 O\n0.513167 0.574197 0.096525 O\n0.797177 0.217374 0.208309 O\n0.573408 0.682826 0.273832 O\n0.878148 0.034947 0.477412 O\n0.703186 0.705053 0.402461 O\n0.836709 0.101849 0.413334 O\n0.470845 0.766285 0.406343 O\n0.951521 0.578014 0.791163 O\n-0.002933 0.168718 0.596429 O\n0.765556 0.697491 0.572170 O\n0.594480 0.951781 0.802385 O\n0.978696 0.747232 0.932052 O\n0.943269 0.937909 0.133743 O\n0.797120 0.477742 0.163226 O\n0.757598 0.099188 0.014775 O\n0.462874 0.844222 0.015869 O\n0.957540 0.586865 0.454529 O\n0.819124 0.712462 0.304498 O\n0.112019 0.109349 0.252892 O\n0.712719 0.973305 0.399400 O\n0.925873 0.775032 0.565422 O\n0.950609 0.548698 0.164762 O\n0.754248 0.877390 0.080243 O\n0.065510 0.711401 0.253339 O\n",
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"energy": -816.18361876,
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"updated_at": "2021-11-28T01:34:59.395000Z",
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{
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"structure_string": "V1 Pt2\n1.0\n-1.371877 1.913756 4.217475\n1.371877 -1.913756 4.217475\n1.371877 1.913756 -4.217475\nV Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.660315 0.660315 0.000000 Pt\n0.339685 0.339685 0.000000 Pt\n",
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},
{
"id": "mp-1219307",
"created_at": "2022-09-04T14:40:59.368897Z",
"structure_string": "Si1 H2 O1\n1.0\n-1.623618 -3.009697 -0.007800\n-2.938417 -0.175580 -0.263467\n-0.370591 0.218806 -5.199860\nSi H O\n1 2 1\ndirect\n0.269321 0.457975 0.883936 Si\n0.730942 0.542675 0.814604 H\n0.195251 0.627819 0.298811 H\n0.333387 0.313631 0.212648 O\n",
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{
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"structure_string": "Na8 Re2 N6\n1.0\n3.048625 5.500621 0.000000\n-3.048625 5.500621 0.000000\n0.000000 3.779209 8.091104\nNa Re N\n8 2 6\ndirect\n0.374041 0.003062 0.864627 Na\n0.563984 0.205588 0.472955 Na\n0.467037 0.742643 0.543065 Na\n0.742643 0.467037 0.043065 Na\n0.631147 0.959878 0.138509 Na\n0.959878 0.631147 0.638509 Na\n0.205588 0.563984 0.972955 Na\n0.003062 0.374041 0.364627 Na\n0.155613 0.864177 0.249987 Re\n0.864177 0.155613 0.749987 Re\n0.454841 0.624088 0.311493 N\n0.624088 0.454841 0.811493 N\n0.860636 0.830920 0.354195 N\n0.830920 0.860636 0.854195 N\n0.147385 0.173362 0.133068 N\n0.173362 0.147385 0.633068 N\n",
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{
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{
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}