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{
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"results": [
{
"id": "mp-1247874",
"created_at": "2022-09-04T14:39:28.282645Z",
"structure_string": "Ag6 Se3\n1.0\n9.752244 1.088523 -2.693636\n-4.636439 8.979046 -4.578926\n1.092131 -4.904438 27.814256\nAg Se\n6 3\ndirect\n0.518577 0.498640 0.671928 Ag\n0.732977 0.500747 0.744079 Ag\n0.500613 0.500589 0.333651 Ag\n0.750173 0.251285 0.500869 Ag\n0.625337 0.996899 0.123637 Ag\n0.625427 0.376218 0.000755 Ag\n0.999157 0.998740 -0.000098 Se\n0.998747 0.000383 0.666774 Se\n0.998992 0.001500 0.333405 Se\n",
"nsites": 9,
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"elements": [
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],
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"volume": 2316.6673141328056,
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},
{
"id": "mp-1195899",
"created_at": "2022-09-04T14:39:28.276173Z",
"structure_string": "K8 Co4 P16 H32 O64\n1.0\n6.694590 -0.047216 2.031589\n-5.909601 14.751614 15.602046\n-0.519862 -7.378468 6.474705\nK Co P H O\n8 4 16 32 64\ndirect\n0.377488 0.258710 0.778869 K\n0.625626 0.508980 0.279989 K\n0.877940 0.758724 0.778758 K\n0.125497 0.009051 0.280152 K\n0.122504 0.241277 0.221158 K\n0.374605 0.490936 0.719766 K\n0.622051 0.741287 0.221231 K\n0.874264 0.991032 0.720053 K\n0.249988 0.749999 0.999997 Co\n0.499990 0.000007 0.499997 Co\n0.750011 0.250000 0.000000 Co\n0.000002 0.499994 0.500007 Co\n0.048535 0.372089 0.012051 P\n0.298473 0.622060 0.511692 P\n0.548399 0.872078 0.012172 P\n0.798495 0.122083 0.511660 P\n0.451474 0.127919 0.987950 P\n0.701543 0.377905 0.488334 P\n0.951597 0.627915 0.987825 P\n0.201488 0.877949 0.488320 P\n0.647294 0.391875 0.973754 P\n0.897280 0.642097 0.472920 P\n0.147066 0.891855 0.973893 P\n0.397258 0.142126 0.472958 P\n0.852713 0.108123 0.026242 P\n0.102793 0.357871 0.527030 P\n0.352930 0.608142 0.026113 P\n0.602670 0.857911 0.527094 P\n0.117446 0.369343 0.784905 H\n0.367791 0.619415 0.284406 H\n0.617383 0.869370 0.785007 H\n0.867865 0.119413 0.284419 H\n0.382557 0.130666 0.215094 H\n0.632179 0.380572 0.715580 H\n0.882621 0.630624 0.214997 H\n0.132161 0.880594 0.715598 H\n0.363471 0.413960 0.094370 H\n0.614497 0.664294 0.593870 H\n0.863343 0.913994 0.094450 H\n0.114535 0.164327 0.593912 H\n0.136499 0.086041 0.905616 H\n0.385498 0.335682 0.406073 H\n0.636682 0.586001 0.905560 H\n0.885468 0.835701 0.406142 H\n0.668593 0.294019 0.268559 H\n0.916196 0.543392 0.767723 H\n0.168489 0.793979 0.268737 H\n0.416172 0.043430 0.767822 H\n0.831424 0.205974 0.731428 H\n0.083835 0.456576 0.232213 H\n0.331508 0.706027 0.731272 H\n0.583798 0.956607 0.232251 H\n0.610687 0.224271 0.263529 H\n0.859297 0.473421 0.763235 H\n0.110290 0.724279 0.263532 H\n0.359419 0.973455 0.763332 H\n0.889304 0.275725 0.736468 H\n0.140614 0.526549 0.236705 H\n0.389729 0.775726 0.736476 H\n0.640674 0.026580 0.236736 H\n0.845606 0.405563 0.039264 O\n0.095969 0.655756 0.538242 O\n0.345457 0.905507 0.039418 O\n0.596025 0.155788 0.538195 O\n0.654401 0.094440 0.960737 O\n0.904022 0.344205 0.461768 O\n0.154536 0.594489 0.960581 O\n0.403987 0.844254 0.461788 O\n0.008001 0.304568 0.007663 O\n0.257094 0.554559 0.507491 O\n0.508028 0.804570 0.007780 O\n0.757118 0.054579 0.507419 O\n0.492020 0.195441 0.992345 O\n0.742899 0.445408 0.492581 O\n0.991956 0.695423 0.992195 O\n0.242872 0.945454 0.492526 O\n0.158328 0.396735 0.124846 O\n0.408431 0.646553 0.624488 O\n0.658231 0.896798 0.124955 O\n0.908398 0.146567 0.624481 O\n0.341668 0.103272 0.875147 O\n0.591603 0.353414 0.375507 O\n0.841776 0.603190 0.875057 O\n0.091561 0.853468 0.375521 O\n0.157166 0.394786 0.868725 O\n0.408045 0.644546 0.368431 O\n0.657039 0.894810 0.868819 O\n0.908088 0.144562 0.368380 O\n0.342837 0.105223 0.131302 O\n0.591964 0.355414 0.631635 O\n0.842955 0.605184 0.131156 O\n0.091903 0.855472 0.631550 O\n0.590209 0.325304 0.976126 O\n0.839198 0.575597 0.476153 O\n0.089983 0.825259 0.976315 O\n0.339209 0.075632 0.476195 O\n0.909800 0.174688 0.023886 O\n0.160840 0.424367 0.523765 O\n0.410004 0.674746 0.023682 O\n0.660749 0.924409 0.523890 O\n0.508924 0.429796 0.077847 O\n0.759436 0.680294 0.577084 O\n0.008809 0.929790 0.077931 O\n0.259451 0.180307 0.577153 O\n0.991057 0.070206 0.922148 O\n0.240577 0.319691 0.422836 O\n0.491205 0.570204 0.922067 O\n0.740530 0.819712 0.422920 O\n0.427128 0.169625 0.329573 O\n0.677165 0.419394 0.830374 O\n0.927194 0.669583 0.329505 O\n0.177099 0.919330 0.830521 O\n0.072874 0.330378 0.670411 O\n0.322909 0.580672 0.169489 O\n0.572812 0.830415 0.670513 O\n0.822831 0.080598 0.169610 O\n0.704044 0.255743 0.219417 O\n0.950760 0.505182 0.718108 O\n0.204117 0.755709 0.219689 O\n0.450744 0.005237 0.718191 O\n0.795990 0.244247 0.780584 O\n0.049230 0.494772 0.281824 O\n0.295871 0.744302 0.780314 O\n0.549262 0.994815 0.281885 O\n",
"nsites": 124,
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"elements": [
"K",
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-K-O-P",
"density": 2.305380098450414,
"density_atomic": 0.0819654226526076,
"volume": 1512.8330457776897,
"volume_molar": 7.3471722161715896,
"formula_full": "K8 Co4 P16 H32 O64",
"formula_reduced": "K2CoP4(HO2)8",
"formula_anonymous": "AB2C4D8E16",
"energy": -808.1702319999999,
"energy_per_atom": -6.517501870967742,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:41.869000Z",
"spacegroup": 2
},
{
"id": "mp-1209203",
"created_at": "2022-09-04T14:39:28.275906Z",
"structure_string": "Rb1 Cd1 N3\n1.0\n4.587670 0.000000 0.000000\n0.000000 4.587670 0.000000\n0.000000 0.000000 4.587670\nRb Cd N\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Cd-N-Rb",
"density": 4.125730369617648,
"density_atomic": 0.05178374938824325,
"volume": 96.55538772430367,
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"formula_full": "Rb1 Cd1 N3",
"formula_reduced": "RbCdN3",
"formula_anonymous": "ABC3",
"energy": -18.62393506,
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"updated_at": "2021-11-28T01:34:26.961000Z",
"spacegroup": 221
},
{
"id": "mp-768449",
"created_at": "2022-09-04T14:39:28.275904Z",
"structure_string": "Li24 Ti7 Cr5 O36\n1.0\n5.056271 0.000000 0.000000\n-0.775913 9.767839 0.000000\n-2.519988 -1.934295 13.076194\nLi Ti Cr O\n24 7 5 36\ndirect\n0.158329 0.001531 0.833949 Li\n0.045167 0.001140 0.612052 Li\n0.999425 0.750145 0.251256 Li\n0.333971 0.749654 0.915549 Li\n0.047412 0.498918 0.111893 Li\n0.386011 0.501990 0.780552 Li\n0.161010 0.502330 0.333635 Li\n0.493015 0.498953 0.000827 Li\n0.285120 0.501295 0.553752 Li\n0.333244 0.249871 0.416455 Li\n0.497568 0.998698 0.501756 Li\n0.286396 0.000898 0.052558 Li\n0.624796 0.998787 0.720409 Li\n0.381864 0.000711 0.279022 Li\n0.718081 0.000390 0.945887 Li\n0.667129 0.750150 0.584634 Li\n0.716909 0.498963 0.446065 Li\n0.831320 0.498626 0.667382 Li\n0.624371 0.499059 0.220480 Li\n0.952461 0.499527 0.886709 Li\n0.667328 0.250313 0.084678 Li\n0.830602 0.000372 0.167583 Li\n0.996890 0.249579 0.749638 Li\n0.954730 0.000222 0.387670 Li\n0.230109 0.756793 0.693779 Ti\n0.232653 0.256473 0.194647 Ti\n0.439921 0.248012 0.638690 Ti\n0.554107 0.247061 0.860193 Ti\n0.439879 0.753034 0.139619 Ti\n0.554774 0.746438 0.360755 Ti\n0.881975 0.744948 0.025757 Ti\n0.105989 0.249857 0.973529 Cr\n0.106399 0.750273 0.473570 Cr\n0.784287 0.748698 0.805921 Cr\n0.787703 0.250090 0.307292 Cr\n0.881268 0.248750 0.525572 Cr\n0.998154 0.860809 0.924496 O\n0.061911 0.634891 0.784879 O\n0.999928 0.360836 0.424354 O\n0.138512 0.362361 0.640680 O\n0.260099 0.363315 0.882931 O\n0.338953 0.864878 0.596702 O\n0.063637 0.134624 0.285304 O\n0.186123 0.138613 0.521689 O\n0.401653 0.136156 0.953014 O\n0.143027 0.864500 0.142917 O\n0.261178 0.863919 0.383395 O\n0.480725 0.861455 0.810662 O\n0.331600 0.135057 0.737278 O\n0.190998 0.637014 0.022673 O\n0.401557 0.636120 0.453217 O\n0.526947 0.637420 0.690994 O\n0.332064 0.636288 0.237722 O\n0.660572 0.635721 0.905176 O\n0.339919 0.364604 0.097063 O\n0.663425 0.363380 0.762322 O\n0.481013 0.362085 0.311501 O\n0.602771 0.365238 0.547065 O\n0.818663 0.362288 0.977944 O\n0.666999 0.863730 0.263398 O\n0.528070 0.137804 0.192500 O\n0.733592 0.133859 0.618458 O\n0.853697 0.135952 0.855526 O\n0.596096 0.866535 0.048298 O\n0.818681 0.862225 0.478166 O\n0.931219 0.865606 0.713590 O\n0.667505 0.138395 0.408533 O\n0.737944 0.634428 0.117858 O\n0.854313 0.635748 0.355736 O\n0.001593 0.637726 0.567867 O\n0.932851 0.366119 0.214377 O\n0.001797 0.137756 0.067994 O\n",
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"formula_full": "Li24 Ti7 Cr5 O36",
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"energy": -519.4825397,
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"spacegroup": 1
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{
"id": "mp-1271281",
"created_at": "2022-09-04T14:39:28.273733Z",
"structure_string": "Sb12 N20\n1.0\n4.047002 0.000000 0.000000\n0.000000 10.649889 0.000000\n0.000000 0.000000 10.460257\nSb N\n12 20\ndirect\n0.000000 0.816866 0.250000 Sb\n0.000000 0.183134 0.750000 Sb\n0.500000 0.316866 0.250000 Sb\n0.500000 0.683134 0.750000 Sb\n0.000000 0.136123 0.436121 Sb\n0.000000 0.863877 0.563879 Sb\n0.000000 0.136123 0.063879 Sb\n0.000000 0.863877 0.936121 Sb\n0.500000 0.636123 0.436121 Sb\n0.500000 0.363877 0.563879 Sb\n0.500000 0.636123 0.063879 Sb\n0.500000 0.363877 0.936121 Sb\n0.000000 0.240296 0.250000 N\n0.000000 0.759704 0.750000 N\n0.500000 0.740296 0.250000 N\n0.500000 0.259704 0.750000 N\n0.000000 0.950396 0.387323 N\n0.000000 0.049604 0.612677 N\n0.000000 0.950396 0.112677 N\n0.000000 0.049604 0.887323 N\n0.500000 0.450396 0.387323 N\n0.500000 0.549604 0.612677 N\n0.500000 0.450396 0.112677 N\n0.500000 0.549604 0.887323 N\n0.000000 0.697622 0.425642 N\n0.000000 0.302378 0.574358 N\n0.000000 0.697622 0.074358 N\n0.000000 0.302378 0.925642 N\n0.500000 0.197622 0.425642 N\n0.500000 0.802378 0.574358 N\n0.500000 0.197622 0.074358 N\n0.500000 0.802378 0.925642 N\n",
"nsites": 32,
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"elements": [
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"volume": 450.8383537172332,
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"formula_full": "Sb12 N20",
"formula_reduced": "Sb3N5",
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"updated_at": "2021-11-28T01:34:28.578000Z",
"spacegroup": 63
},
{
"id": "mp-1203426",
"created_at": "2022-09-04T14:39:28.272480Z",
"structure_string": "Li4 Zn4 As4 O20\n1.0\n0.000000 0.000000 -5.257265\n0.000000 -8.368004 0.000000\n-11.004570 0.000000 0.000000\nLi Zn As O\n4 4 4 20\ndirect\n0.237163 0.673075 0.176250 Li\n0.737163 0.326925 0.823750 Li\n0.737163 0.173075 0.323750 Li\n0.237163 0.826925 0.676250 Li\n0.740679 0.870514 0.122436 Zn\n0.240679 0.129486 0.877564 Zn\n0.240679 0.370514 0.377564 Zn\n0.740679 0.629486 0.622436 Zn\n0.742986 0.578130 0.326219 As\n0.242986 0.421870 0.673781 As\n0.242986 0.078130 0.173781 As\n0.742986 0.921870 0.826219 As\n0.816960 0.685456 0.454559 O\n0.316960 0.314544 0.545441 O\n0.316960 0.185456 0.045441 O\n0.816960 0.814544 0.954559 O\n0.872892 0.676022 0.203407 O\n0.372892 0.323978 0.796593 O\n0.372892 0.176022 0.296593 O\n0.872892 0.823978 0.703407 O\n0.419014 0.556903 0.304902 O\n0.919014 0.443097 0.695098 O\n0.919014 0.056903 0.195098 O\n0.419014 0.943097 0.804902 O\n0.876523 0.390311 0.335629 O\n0.376523 0.609689 0.664371 O\n0.376523 0.890311 0.164371 O\n0.876523 0.109689 0.835629 O\n0.314983 0.589540 0.002371 O\n0.814983 0.410460 0.997629 O\n0.814983 0.089540 0.497629 O\n0.314983 0.910460 0.502371 O\n",
"nsites": 32,
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"elements": [
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"volume": 484.12200720214923,
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"formula_full": "Li4 Zn4 As4 O20",
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},
{
"id": "mp-1078362",
"created_at": "2022-09-04T14:39:28.272320Z",
"structure_string": "Ca4 Al2 Pt4\n1.0\n2.877873 4.949806 0.000000\n-2.877873 4.949806 0.000000\n0.000000 1.606135 7.598829\nCa Al Pt\n4 2 4\ndirect\n0.780945 0.518296 0.851516 Ca\n0.481704 0.219055 0.648484 Ca\n0.219055 0.481704 0.148484 Ca\n0.518296 0.780945 0.351516 Ca\n0.111411 0.888589 0.750000 Al\n0.888589 0.111411 0.250000 Al\n0.004317 0.736750 0.503982 Pt\n0.263250 0.995683 0.996018 Pt\n0.995683 0.263250 0.496018 Pt\n0.736750 0.004317 0.003982 Pt\n",
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"formula_full": "Ca4 Al2 Pt4",
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