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{
"id": "mp-1223559",
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"structure_string": "K1 Cr1 Cd1 C6 N6 O1\n1.0\n0.000000 5.591867 5.591867\n5.591867 0.000000 5.591867\n5.591867 5.591867 0.000000\nK Cr Cd C N O\n1 1 1 6 6 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.813497 0.186503 0.186503 C\n0.186503 0.813497 0.186503 C\n0.186503 0.186503 0.813497 C\n0.186503 0.813497 0.813497 C\n0.813497 0.813497 0.186503 C\n0.813497 0.186503 0.813497 C\n0.708806 0.291194 0.291194 N\n0.291194 0.708806 0.291194 N\n0.291194 0.291194 0.708806 N\n0.291194 0.708806 0.708806 N\n0.708806 0.708806 0.291194 N\n0.708806 0.291194 0.708806 N\n0.250000 0.250000 0.250000 O\n",
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{
"id": "mp-768697",
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"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n5.116681 0.000000 0.000000\n-0.029547 6.237034 0.000000\n-1.238175 -0.285238 16.623943\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.755988 0.967068 0.130701 Li\n0.242380 0.472427 0.369018 Li\n0.753714 0.528008 0.630820 Li\n0.247795 0.468835 0.871393 Li\n0.206144 0.254075 0.164678 Mn\n0.794385 0.761864 0.335364 Mn\n0.206181 0.247693 0.664685 Mn\n0.794136 0.747112 0.835090 Mn\n0.276561 0.751465 0.212658 P\n0.723546 0.253012 0.287448 P\n0.276300 0.744244 0.713153 P\n0.723849 0.251938 0.786829 P\n0.289598 0.245365 0.024794 C\n0.710635 0.736503 0.474740 C\n0.290036 0.260813 0.524817 C\n0.709112 0.751231 0.974916 C\n0.054408 0.246783 0.052126 O\n0.660452 0.763124 0.046092 O\n0.471160 0.229243 0.085882 O\n0.174850 0.942786 0.161311 O\n0.207947 0.556752 0.156907 O\n0.856645 0.233964 0.207594 O\n0.578215 0.773520 0.232483 O\n0.422103 0.273043 0.267648 O\n0.143127 0.739661 0.292398 O\n0.791744 0.064355 0.343593 O\n0.826893 0.449580 0.338342 O\n0.528485 0.735892 0.413459 O\n0.336950 0.277031 0.453955 O\n0.945190 0.754223 0.447911 O\n0.055790 0.240956 0.552053 O\n0.662404 0.722412 0.545929 O\n0.472366 0.262345 0.586263 O\n0.207257 0.944824 0.665050 O\n0.175747 0.557822 0.655138 O\n0.858079 0.264570 0.707090 O\n0.577613 0.719683 0.732511 O\n0.422862 0.277567 0.767346 O\n0.142440 0.732262 0.792959 O\n0.791313 0.050969 0.834796 O\n0.825546 0.438123 0.844958 O\n0.527853 0.731466 0.913599 O\n0.338133 0.262399 0.953883 O\n0.944068 0.760620 0.947624 O\n",
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"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
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},
{
"id": "mp-771890",
"created_at": "2022-09-04T14:42:25.568311Z",
"structure_string": "Li2 Sn2 As2 C2 O14\n1.0\n6.745297 0.000000 0.000000\n0.000000 5.255799 0.000000\n0.000000 0.595826 9.187255\nLi Sn As C O\n2 2 2 2 14\ndirect\n0.496686 0.767580 0.819539 Li\n0.996686 0.232420 0.180461 Li\n0.246079 0.211189 0.666831 Sn\n0.746079 0.788811 0.333169 Sn\n0.750385 0.274428 0.574081 As\n0.250385 0.725572 0.425919 As\n0.256293 0.277423 0.937650 C\n0.756293 0.722577 0.062350 C\n0.725989 0.684440 0.932873 O\n0.258309 0.047303 0.882900 O\n0.282627 0.467760 0.833104 O\n0.943798 0.198304 0.687467 O\n0.553224 0.160821 0.674788 O\n0.258884 0.844511 0.595486 O\n0.729878 0.601817 0.537059 O\n0.229878 0.398183 0.462941 O\n0.758884 0.155489 0.404514 O\n0.053224 0.839179 0.325212 O\n0.443798 0.801696 0.312533 O\n0.782627 0.532240 0.166896 O\n0.758309 0.952697 0.117100 O\n0.225989 0.315560 0.067127 O\n",
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"density": 3.309588885610047,
"density_atomic": 0.06754560335874733,
"volume": 325.70587730416565,
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"formula_full": "Li2 Sn2 As2 C2 O14",
"formula_reduced": "LiSnAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -150.63563619,
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"updated_at": "2021-11-28T01:35:49.054000Z",
"spacegroup": 4
},
{
"id": "mp-753805",
"created_at": "2022-09-04T14:42:42.186428Z",
"structure_string": "Li4 V4 P4 C4 O28\n1.0\n8.368864 0.101259 0.001791\n0.471114 5.192854 6.398180\n-0.468350 -5.193741 6.398727\nLi V P C O\n4 4 4 4 28\ndirect\n0.099871 0.530141 0.719879 Li\n0.099890 0.030089 0.219843 Li\n0.900118 0.469926 0.280058 Li\n0.900151 0.969834 0.780136 Li\n0.322875 0.269419 0.480672 V\n0.677087 0.730685 0.519396 V\n0.323090 0.769401 0.980735 V\n0.677031 0.230583 0.019324 V\n0.423079 0.498751 0.751380 P\n0.423103 0.998773 0.251416 P\n0.576916 0.501202 0.248678 P\n0.576907 0.001249 0.748606 P\n0.051112 0.700747 0.049307 C\n0.051045 0.200670 0.549306 C\n0.948904 0.299255 0.950648 C\n0.948924 0.799285 0.450654 C\n0.077045 0.824994 0.925289 O\n0.076903 0.324943 0.425322 O\n0.923046 0.175038 0.074691 O\n0.923041 0.675046 0.574682 O\n0.081373 0.342306 0.907635 O\n0.081383 0.842313 0.407661 O\n0.918614 0.657806 0.092214 O\n0.918584 0.157649 0.592314 O\n0.190387 0.626864 0.123078 O\n0.190351 0.126819 0.623064 O\n0.809607 0.373141 0.876923 O\n0.809614 0.873147 0.376896 O\n0.438201 0.413552 0.336451 O\n0.438228 0.913617 0.836443 O\n0.561799 0.586408 0.663556 O\n0.561783 0.086371 0.163560 O\n0.496258 0.357891 0.892651 O\n0.496206 0.857953 0.392765 O\n0.503744 0.642041 0.107387 O\n0.503714 0.142075 0.607337 O\n0.309607 0.433670 0.627449 O\n0.309701 0.933699 0.127436 O\n0.309296 0.622812 0.816070 O\n0.309257 0.122813 0.316067 O\n0.690707 0.377178 0.183954 O\n0.690727 0.877186 0.683938 O\n0.690351 0.566349 0.372583 O\n0.690369 0.066307 0.872545 O\n",
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"elements": [
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],
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"density": 2.5448935908015202,
"density_atomic": 0.07919787384492039,
"volume": 555.570470062841,
"volume_molar": 7.6039172109495325,
"formula_full": "Li4 V4 P4 C4 O28",
"formula_reduced": "LiVPCO7",
"formula_anonymous": "ABCDE7",
"energy": -345.73744499000003,
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},
{
"id": "mp-772152",
"created_at": "2022-09-04T14:42:46.904381Z",
"structure_string": "Na2 Co2 As2 C2 O14\n1.0\n6.234898 0.000000 0.000000\n0.000000 5.331750 0.000000\n0.000000 0.505634 9.231897\nNa Co As C O\n2 2 2 2 14\ndirect\n0.521502 0.764270 0.769872 Na\n0.021502 0.235730 0.230128 Na\n0.241595 0.214003 0.667565 Co\n0.741595 0.785997 0.332435 Co\n0.747593 0.282975 0.561221 As\n0.247593 0.717025 0.438779 As\n0.253687 0.273796 0.918652 C\n0.753687 0.726204 0.081348 C\n0.754070 0.692065 0.951113 O\n0.250019 0.055300 0.859041 O\n0.254979 0.454925 0.813559 O\n0.950269 0.212165 0.686588 O\n0.542853 0.201550 0.681544 O\n0.253890 0.878665 0.592898 O\n0.731692 0.603554 0.521027 O\n0.231692 0.396446 0.478973 O\n0.753890 0.121335 0.407102 O\n0.042853 0.798450 0.318456 O\n0.450269 0.787835 0.313412 O\n0.754979 0.545075 0.186441 O\n0.750019 0.944700 0.140959 O\n0.254070 0.307935 0.048887 O\n",
"nsites": 22,
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},
{
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"structure_string": "Na2 Hf2 P2 C2 O14\n1.0\n6.655543 0.000000 0.000000\n0.000000 5.555237 0.000000\n0.000000 0.380584 9.300247\nNa Hf P C O\n2 2 2 2 14\ndirect\n0.506383 0.759194 0.796399 Na\n0.006383 0.240806 0.203601 Na\n0.233312 0.209097 0.657432 Hf\n0.733312 0.790903 0.342568 Hf\n0.740037 0.275578 0.561235 P\n0.240037 0.724422 0.438765 P\n0.265737 0.276660 0.926307 C\n0.765737 0.723340 0.073693 C\n0.753207 0.687151 0.944321 O\n0.263364 0.059481 0.867932 O\n0.275975 0.452085 0.822151 O\n0.926296 0.220698 0.655741 O\n0.550080 0.199709 0.644871 O\n0.256048 0.867913 0.578626 O\n0.731710 0.548548 0.517671 O\n0.231710 0.451452 0.482329 O\n0.756048 0.132087 0.421374 O\n0.050080 0.800291 0.355129 O\n0.426296 0.779302 0.344259 O\n0.775975 0.547915 0.177849 O\n0.763364 0.940519 0.132068 O\n0.253207 0.312849 0.055679 O\n",
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{
"id": "mp-753649",
"created_at": "2022-09-04T14:41:35.212707Z",
"structure_string": "Li2 Zr2 P2 C2 O14\n1.0\n6.630930 0.000000 0.000000\n0.000000 5.682707 0.000000\n0.000000 0.250606 8.895712\nLi Zr P C O\n2 2 2 2 14\ndirect\n0.432383 0.745871 0.843559 Li\n0.932383 0.254129 0.156441 Li\n0.254638 0.203927 0.658376 Zr\n0.754638 0.796073 0.341624 Zr\n0.758233 0.278641 0.551826 P\n0.258233 0.721359 0.448174 P\n0.256052 0.261646 0.947550 C\n0.756052 0.738354 0.052450 C\n0.706657 0.705985 0.921181 O\n0.273607 0.051430 0.884598 O\n0.285347 0.436305 0.843658 O\n0.942348 0.213792 0.650327 O\n0.568039 0.197793 0.636249 O\n0.273548 0.849142 0.600792 O\n0.751296 0.546140 0.516843 O\n0.251296 0.453860 0.483157 O\n0.773548 0.150858 0.399208 O\n0.068039 0.802207 0.363751 O\n0.442348 0.786208 0.349673 O\n0.785347 0.563695 0.156342 O\n0.773607 0.948570 0.115402 O\n0.206657 0.294015 0.078819 O\n",
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{
"id": "mp-774775",
"created_at": "2022-09-04T14:39:45.227612Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.131296 0.000000 0.000000\n-1.507497 8.004849 0.000000\n-0.237787 -0.266768 9.154004\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.146090 0.600851 0.754513 Na\n0.850377 0.896032 0.754988 Na\n0.149623 0.103968 0.245012 Na\n0.853910 0.399149 0.245487 Na\n0.273724 0.021939 0.659595 Mn\n0.760768 0.512320 0.655428 Mn\n0.239232 0.487680 0.344572 Mn\n0.726276 0.978061 0.340405 Mn\n0.484846 0.737458 0.566785 P\n0.982951 0.231296 0.565970 P\n0.515154 0.262542 0.433215 P\n0.017049 0.768704 0.434030 P\n0.737001 0.491972 0.918427 C\n0.240115 0.986134 0.920524 C\n0.262999 0.508028 0.081573 C\n0.759885 0.013866 0.079476 C\n0.276313 0.518705 0.948780 O\n0.777774 0.034136 0.948021 O\n0.351777 0.099511 0.860159 O\n0.851693 0.602538 0.852589 O\n0.641326 0.396494 0.819017 O\n0.144478 0.892464 0.815748 O\n0.619386 0.677136 0.665410 O\n0.110503 0.167582 0.668493 O\n0.416920 0.858971 0.672402 O\n0.925315 0.368306 0.663116 O\n0.338569 0.588779 0.526500 O\n0.443060 0.184729 0.573117 O\n0.941158 0.694984 0.576912 O\n0.835675 0.084969 0.525053 O\n0.661431 0.411221 0.473500 O\n0.556940 0.815271 0.426883 O\n0.058842 0.305016 0.423088 O\n0.164325 0.915031 0.474947 O\n0.583080 0.141029 0.327598 O\n0.380614 0.322864 0.334590 O\n0.074685 0.631694 0.336884 O\n0.889497 0.832418 0.331507 O\n0.358674 0.603506 0.180983 O\n0.855522 0.107536 0.184252 O\n0.648223 0.900489 0.139841 O\n0.148307 0.397462 0.147411 O\n0.723687 0.481295 0.051220 O\n0.222226 0.965864 0.051979 O\n",
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{
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.243646 0.000000 0.000000\n0.000000 10.300846 0.000000\n0.000000 4.973225 9.177794\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.970113 0.759129 0.993855 Na\n0.529887 0.759129 0.493855 Na\n0.029887 0.240871 0.006145 Na\n0.470113 0.240871 0.506145 Na\n0.252370 0.658300 0.812207 Mn\n0.247630 0.658300 0.312207 Mn\n0.747630 0.341700 0.187793 Mn\n0.752370 0.341700 0.687793 Mn\n0.749764 0.567136 0.825563 P\n0.750236 0.567136 0.325563 P\n0.250236 0.432864 0.174437 P\n0.249764 0.432864 0.674437 P\n0.240781 0.923238 0.653085 C\n0.259219 0.923238 0.153085 C\n0.759219 0.076762 0.346915 C\n0.740781 0.076762 0.846915 C\n0.763441 0.942583 0.429226 O\n0.736559 0.942583 0.929226 O\n0.240094 0.858666 0.797231 O\n0.259906 0.858666 0.297231 O\n0.248813 0.821426 0.608929 O\n0.251187 0.821426 0.108929 O\n0.943354 0.667306 0.813124 O\n0.557558 0.671916 0.799684 O\n0.942442 0.671916 0.299684 O\n0.556646 0.667306 0.313124 O\n0.749181 0.524384 0.201227 O\n0.251157 0.574154 0.026946 O\n0.750819 0.524384 0.701227 O\n0.248843 0.574154 0.526946 O\n0.748843 0.425846 0.973054 O\n0.250819 0.475616 0.798773 O\n0.751157 0.425846 0.473054 O\n0.249181 0.475616 0.298773 O\n0.442442 0.328084 0.200316 O\n0.056646 0.332694 0.186876 O\n0.443354 0.332694 0.686876 O\n0.057558 0.328084 0.700316 O\n0.751187 0.178574 0.391071 O\n0.748813 0.178574 0.891071 O\n0.759906 0.141334 0.202769 O\n0.740094 0.141334 0.702769 O\n0.236559 0.057417 0.570774 O\n0.263441 0.057417 0.070774 O\n",
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},
{
"id": "mp-1224537",
"created_at": "2022-09-04T14:39:17.502665Z",
"structure_string": "Gd2 Ti2 Cd2 Sb2 O14\n1.0\n-3.609979 3.739043 5.150503\n3.609979 -3.739043 5.150503\n3.609979 3.739043 -5.150503\nGd Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.926852 0.176852 0.750000 O\n0.328395 0.578395 0.750000 O\n0.934775 0.581705 0.760937 O\n0.320768 0.173838 0.739063 O\n0.934775 0.173838 0.353070 O\n0.320768 0.581705 0.146930 O\n0.073148 0.823148 0.250000 O\n0.671605 0.421605 0.250000 O\n0.065225 0.418295 0.239063 O\n0.679232 0.826162 0.260937 O\n0.065225 0.826162 0.646930 O\n0.679232 0.418295 0.853070 O\n0.625545 0.875545 0.750000 O\n0.374455 0.124455 0.250000 O\n",
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"density": 6.583844312723059,
"density_atomic": 0.07911301026355219,
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"formula_full": "Gd2 Ti2 Cd2 Sb2 O14",
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"spacegroup": 74
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{
"id": "mp-772595",
"created_at": "2022-09-04T14:39:19.065438Z",
"structure_string": "Na2 Si2 Sb2 C2 O14\n1.0\n6.526539 0.000000 0.000000\n0.000000 5.351662 0.000000\n0.000000 0.434975 9.306164\nNa Si Sb C O\n2 2 2 2 14\ndirect\n0.525944 0.759886 0.777818 Na\n0.025944 0.240114 0.222182 Na\n0.743838 0.274989 0.565304 Si\n0.243838 0.725011 0.434696 Si\n0.237891 0.211841 0.657658 Sb\n0.737891 0.788159 0.342342 Sb\n0.255612 0.275659 0.923534 C\n0.755612 0.724341 0.076466 C\n0.751543 0.691997 0.947680 O\n0.252865 0.051845 0.862889 O\n0.260435 0.463196 0.819351 O\n0.938949 0.210494 0.669987 O\n0.544638 0.199927 0.664138 O\n0.256223 0.873804 0.584449 O\n0.734214 0.578737 0.521932 O\n0.234214 0.421263 0.478068 O\n0.756223 0.126196 0.415551 O\n0.044638 0.800073 0.335862 O\n0.438949 0.789506 0.330013 O\n0.760435 0.536804 0.180649 O\n0.752865 0.948155 0.137111 O\n0.251543 0.308003 0.052320 O\n",
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"elements": [
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],
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"density": 3.032925823569169,
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"formula_full": "Na2 Si2 Sb2 C2 O14",
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{
"id": "mp-768630",
"created_at": "2022-09-04T14:39:08.241789Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.263651 0.000000 0.000000\n-1.772176 8.093380 0.000000\n-0.475658 -0.631735 8.395708\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.237532 0.987607 0.107337 Li\n0.605481 0.155907 0.282567 Li\n0.261149 0.511738 0.892976 Li\n0.768779 0.010186 0.886965 Li\n0.474333 0.718953 0.334306 Fe\n0.979482 0.225507 0.337534 Fe\n0.024853 0.772276 0.660784 Fe\n0.523454 0.276583 0.667036 Fe\n0.754873 0.504313 0.423456 P\n0.263110 0.008435 0.421576 P\n0.737186 0.989018 0.576071 P\n0.238512 0.492285 0.579031 P\n0.528426 0.777089 0.046465 C\n0.019889 0.277844 0.047303 C\n0.977956 0.730664 0.954984 C\n0.480459 0.216997 0.953978 C\n0.408683 0.655103 0.074007 O\n0.902422 0.153621 0.076768 O\n0.948521 0.699132 0.096932 O\n0.607765 0.862358 0.174667 O\n0.456001 0.170486 0.092062 O\n0.101871 0.361924 0.174147 O\n0.625540 0.567238 0.319643 O\n0.798371 0.360057 0.319354 O\n0.321206 0.882908 0.304709 O\n0.135442 0.073682 0.313644 O\n0.908388 0.643993 0.474326 O\n0.801001 0.066021 0.421735 O\n0.308847 0.565294 0.427915 O\n0.419466 0.152086 0.468973 O\n0.587309 0.845387 0.522204 O\n0.682948 0.438042 0.579187 O\n0.190601 0.936419 0.570717 O\n0.090173 0.346365 0.524455 O\n0.869516 0.928224 0.679363 O\n0.180443 0.619162 0.692898 O\n0.680732 0.116369 0.690973 O\n0.365453 0.428725 0.687643 O\n0.889868 0.642313 0.836606 O\n0.570452 0.819492 0.911707 O\n0.387688 0.141845 0.828571 O\n0.061055 0.317335 0.911649 O\n0.594824 0.337922 0.915248 O\n0.096701 0.851849 0.921711 O\n",
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]
}