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{
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"results": [
{
"id": "mp-768927",
"created_at": "2022-09-04T14:45:31.213805Z",
"structure_string": "Li8 Mn4 P4 C4 O28\n1.0\n5.023711 0.000000 0.000000\n-0.021921 6.546231 0.000000\n-1.162187 -0.160913 16.697786\nLi Mn P C O\n8 4 4 4 28\ndirect\n0.743778 0.966526 0.130712 Li\n0.746437 0.527711 0.131004 Li\n0.247566 0.471736 0.373191 Li\n0.246703 0.029425 0.372024 Li\n0.759460 0.971562 0.631125 Li\n0.753919 0.528279 0.629350 Li\n0.246130 0.470944 0.863713 Li\n0.770659 0.237472 0.943924 Li\n0.193387 0.246628 0.168628 Mn\n0.802594 0.750050 0.333773 Mn\n0.212414 0.253680 0.667953 Mn\n0.803030 0.754517 0.836294 Mn\n0.266866 0.748709 0.207926 P\n0.730163 0.249377 0.293840 P\n0.267775 0.746793 0.708850 P\n0.714983 0.253730 0.789454 P\n0.287590 0.262031 0.020434 C\n0.725683 0.750841 0.477363 C\n0.294150 0.247784 0.525721 C\n0.721632 0.741961 0.978501 C\n0.038661 0.252893 0.034338 O\n0.663581 0.743306 0.050870 O\n0.459075 0.247807 0.085615 O\n0.157649 0.937701 0.161678 O\n0.158178 0.556786 0.161929 O\n0.824475 0.247624 0.205571 O\n0.577649 0.749805 0.217989 O\n0.419070 0.249544 0.285528 O\n0.166792 0.750900 0.294619 O\n0.841754 0.061493 0.338611 O\n0.843636 0.439293 0.338663 O\n0.538113 0.749317 0.415493 O\n0.323842 0.250111 0.451893 O\n0.965337 0.751978 0.454215 O\n0.058589 0.242443 0.555748 O\n0.661320 0.751083 0.548486 O\n0.491763 0.250903 0.581040 O\n0.167461 0.940314 0.665293 O\n0.164579 0.564572 0.656094 O\n0.833391 0.248520 0.706915 O\n0.580220 0.744948 0.721048 O\n0.405845 0.284132 0.771996 O\n0.155097 0.731315 0.793079 O\n0.774786 0.065359 0.840770 O\n0.824784 0.431205 0.844168 O\n0.536407 0.735504 0.918253 O\n0.380476 0.284977 0.952919 O\n0.962213 0.750227 0.955281 O\n",
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],
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"volume": 549.1296133810039,
"volume_molar": 6.889449640134969,
"formula_full": "Li8 Mn4 P4 C4 O28",
"formula_reduced": "Li2MnPCO7",
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"energy": -360.73284922,
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"updated_at": "2021-11-28T01:36:58.508000Z",
"spacegroup": 1
},
{
"id": "mp-1211313",
"created_at": "2022-09-04T14:42:55.841902Z",
"structure_string": "La1 Ta2 Cu1 Br1 O7\n1.0\n3.929484 0.000000 0.000000\n0.000000 3.929484 0.000000\n0.000000 0.000000 11.790028\nLa Ta Cu Br O\n1 2 1 1 7\ndirect\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.191041 Ta\n0.000000 0.000000 0.808959 Ta\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Br\n0.000000 0.500000 0.155538 O\n0.000000 0.500000 0.844462 O\n0.500000 0.000000 0.155538 O\n0.500000 0.000000 0.844462 O\n0.000000 0.000000 0.343701 O\n0.000000 0.000000 0.656299 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Br-Cu-La-O-Ta",
"density": 6.898058823466446,
"density_atomic": 0.06591668527152664,
"volume": 182.0479890724044,
"volume_molar": 9.135988460574676,
"formula_full": "La1 Ta2 Cu1 Br1 O7",
"formula_reduced": "LaTa2CuBrO7",
"formula_anonymous": "ABCD2E7",
"energy": -104.45667761,
"energy_per_atom": -8.704723134166667,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:57.265000Z",
"spacegroup": 123
},
{
"id": "mp-771774",
"created_at": "2022-09-04T14:42:58.034014Z",
"structure_string": "Na4 Si2 Sn2 C2 O14\n1.0\n6.704972 0.000000 0.000000\n0.000000 5.351069 0.000000\n0.000000 0.201526 9.194572\nNa Si Sn C O\n4 2 2 2 14\ndirect\n0.992692 0.759252 0.775833 Na\n0.507308 0.759252 0.775833 Na\n0.492692 0.240748 0.224167 Na\n0.007308 0.240748 0.224167 Na\n0.750000 0.285770 0.574208 Si\n0.250000 0.714230 0.425792 Si\n0.250000 0.208574 0.639309 Sn\n0.750000 0.791426 0.360691 Sn\n0.250000 0.273652 0.921753 C\n0.750000 0.726348 0.078247 C\n0.750000 0.685894 0.944576 O\n0.250000 0.050468 0.864755 O\n0.250000 0.460394 0.821896 O\n0.946318 0.196545 0.667175 O\n0.553682 0.196545 0.667175 O\n0.250000 0.836743 0.588911 O\n0.750000 0.596170 0.553716 O\n0.250000 0.403830 0.446284 O\n0.750000 0.163257 0.411089 O\n0.446318 0.803455 0.332825 O\n0.053682 0.803455 0.332825 O\n0.750000 0.539606 0.178104 O\n0.750000 0.949532 0.135245 O\n0.250000 0.314106 0.055424 O\n",
"nsites": 24,
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],
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"density": 3.189113083591665,
"density_atomic": 0.07275154221253718,
"volume": 329.8899139469254,
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"formula_full": "Na4 Si2 Sn2 C2 O14",
"formula_reduced": "Na2SiSnCO7",
"formula_anonymous": "ABCD2E7",
"energy": -168.74874194,
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"updated_at": "2021-11-28T01:36:02.251000Z",
"spacegroup": 11
},
{
"id": "mp-772135",
"created_at": "2022-09-04T14:42:45.852622Z",
"structure_string": "Na4 Fe2 Si2 C2 O14\n1.0\n6.511248 0.000000 0.000000\n0.000000 5.293476 0.000000\n0.000000 0.111612 9.210346\nNa Fe Si C O\n4 2 2 2 14\ndirect\n0.506108 0.764384 0.762787 Na\n0.993892 0.764384 0.762787 Na\n0.493892 0.235616 0.237213 Na\n0.006108 0.235616 0.237213 Na\n0.250000 0.208747 0.639195 Fe\n0.750000 0.791253 0.360805 Fe\n0.750000 0.293346 0.568990 Si\n0.250000 0.706654 0.431010 Si\n0.250000 0.274777 0.922870 C\n0.750000 0.725223 0.077130 C\n0.750000 0.714506 0.940379 O\n0.250000 0.058601 0.855781 O\n0.250000 0.472216 0.838135 O\n0.951692 0.220426 0.667836 O\n0.548308 0.220426 0.667836 O\n0.250000 0.853118 0.586154 O\n0.750000 0.603590 0.538438 O\n0.250000 0.396410 0.461562 O\n0.750000 0.146882 0.413846 O\n0.451692 0.779574 0.332164 O\n0.048308 0.779574 0.332164 O\n0.750000 0.527784 0.161865 O\n0.750000 0.941399 0.144219 O\n0.250000 0.285494 0.059621 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "C-Fe-Na-O-Si",
"density": 2.6563723519358655,
"density_atomic": 0.07560144751773956,
"volume": 317.45423914493836,
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"formula_full": "Na4 Fe2 Si2 C2 O14",
"formula_reduced": "Na2FeSiCO7",
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"energy": -172.79697289,
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"updated_at": "2021-11-28T01:35:51.957000Z",
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},
{
"id": "mp-756641",
"created_at": "2022-09-04T14:43:55.038678Z",
"structure_string": "Li4 B2 P2 C2 O14\n1.0\n5.059416 0.000000 0.000000\n0.000000 5.408870 0.000000\n0.000000 1.946465 9.225389\nLi B P C O\n4 2 2 2 14\ndirect\n0.501543 0.688802 0.204964 Li\n0.998457 0.688802 0.204964 Li\n0.498457 0.311198 0.795036 Li\n0.001543 0.311198 0.795036 Li\n0.750000 0.062215 0.334264 B\n0.250000 0.937785 0.665736 B\n0.250000 0.292309 0.419717 P\n0.750000 0.707691 0.580283 P\n0.750000 0.268552 0.075782 C\n0.250000 0.731448 0.924218 C\n0.250000 0.761975 0.053450 O\n0.750000 0.044862 0.179031 O\n0.750000 0.476226 0.117392 O\n0.997538 0.183149 0.363951 O\n0.502462 0.183149 0.363951 O\n0.750000 0.792014 0.409553 O\n0.250000 0.575191 0.366920 O\n0.750000 0.424809 0.633080 O\n0.250000 0.207986 0.590447 O\n0.497538 0.816851 0.636049 O\n0.002462 0.816851 0.636049 O\n0.250000 0.523774 0.882608 O\n0.250000 0.955138 0.820969 O\n0.750000 0.238025 0.946550 O\n",
"nsites": 24,
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"elements": [
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"C",
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],
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"density_atomic": 0.09506477411702847,
"volume": 252.45944381517234,
"volume_molar": 6.334776278526164,
"formula_full": "Li4 B2 P2 C2 O14",
"formula_reduced": "Li2BPCO7",
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"energy": -177.68282804,
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"spacegroup": 11
},
{
"id": "mp-771824",
"created_at": "2022-09-04T14:43:57.338265Z",
"structure_string": "Na4 Mn2 C2 S2 O14\n1.0\n0.121527 -0.000001 5.344119\n9.188764 -0.000099 -0.021105\n-0.000074 6.869069 0.000000\nNa Mn C S O\n4 2 2 2 14\ndirect\n0.231759 0.203358 0.507525 Na\n0.231754 0.203396 0.992499 Na\n0.768230 0.796648 0.492480 Na\n0.768233 0.796680 0.007546 Na\n0.227339 0.637320 0.249922 Mn\n0.772685 0.362731 0.750010 Mn\n0.727178 0.081060 0.750002 C\n0.272821 0.918924 0.250002 C\n0.725009 0.423304 0.249992 S\n0.274976 0.576681 0.750002 S\n0.302537 0.055645 0.250000 O\n0.697486 0.944352 0.750001 O\n0.948232 0.140815 0.750002 O\n0.051768 0.859182 0.250001 O\n0.535403 0.174115 0.750001 O\n0.464603 0.825878 0.250000 O\n0.175783 0.425068 0.749999 O\n0.824195 0.574914 0.249998 O\n0.443144 0.433126 0.250031 O\n0.556863 0.566834 0.750001 O\n0.813478 0.344048 0.073934 O\n0.813486 0.344045 0.426063 O\n0.186520 0.655939 0.573939 O\n0.186518 0.655936 0.926051 O\n",
"nsites": 24,
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],
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"density_atomic": 0.07114714253939437,
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"formula_full": "Na4 Mn2 C2 S2 O14",
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},
{
"id": "mp-1176410",
"created_at": "2022-09-04T14:43:39.291565Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n-8.766579 5.170237 0.040656\n-9.080014 -5.175706 0.019860\n0.133415 5.187072 6.610036\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.751104 0.982477 0.481407 Na\n0.995287 0.755950 0.007138 Na\n0.737852 0.523246 0.510482 Na\n0.496693 0.758136 0.999790 Na\n0.790147 0.300649 0.734787 Na\n0.482448 0.252613 0.016216 Na\n0.251344 0.502406 0.493393 Na\n0.038450 0.224208 0.961383 Na\n0.839704 0.810709 0.751468 Ni\n0.651721 0.695669 0.254154 Ni\n0.341175 0.307833 0.748869 Ni\n0.155603 0.193770 0.256825 Ni\n0.480186 0.939508 0.751900 P\n0.973586 0.449614 0.752528 P\n0.022157 0.554121 0.248011 P\n0.520923 0.055347 0.252350 P\n0.940637 0.982729 0.753298 C\n0.555835 0.516310 0.243623 C\n0.455475 0.473466 0.749052 C\n0.048236 0.024013 0.253335 C\n0.991118 0.940963 0.253761 O\n0.698997 0.976638 0.064469 O\n0.981996 0.594255 0.754556 O\n0.856877 0.688092 0.246325 O\n0.646040 0.809863 0.758354 O\n0.518053 0.907884 0.245267 O\n0.503471 0.821252 0.561915 O\n0.792688 0.528656 0.936779 O\n0.977889 0.349797 0.566646 O\n0.191852 0.976883 0.254711 O\n0.701736 0.470032 0.241636 O\n0.470853 0.659462 0.245804 O\n0.964016 0.169922 0.258065 O\n0.521115 0.550282 0.750913 O\n0.504564 0.428142 0.240419 O\n0.025450 0.837390 0.748908 O\n0.536102 0.327844 0.747551 O\n0.309872 0.528114 0.748379 O\n0.797583 0.026917 0.747412 O\n0.011774 0.657712 0.436773 O\n0.202885 0.469712 0.060472 O\n0.514115 0.156827 0.438786 O\n0.485693 0.083705 0.748246 O\n0.353439 0.191908 0.255491 O\n0.137313 0.320726 0.756964 O\n0.014414 0.409013 0.246168 O\n0.302118 0.023461 0.941948 O\n0.986533 0.074976 0.763430 O\n",
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"density_atomic": 0.07878379755171379,
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"formula_full": "Na8 Ni4 P4 C4 O28",
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"updated_at": "2021-11-28T01:36:12.659000Z",
"spacegroup": 1
},
{
"id": "mp-776285",
"created_at": "2022-09-04T14:43:40.006328Z",
"structure_string": "Li8 Cr4 P4 C4 O28\n1.0\n0.471073 5.047799 0.000284\n0.000195 0.000343 6.410003\n16.672551 0.212973 0.000516\nLi Cr P C O\n8 4 4 4 28\ndirect\n0.781477 0.245653 0.049654 Li\n0.781592 0.245492 0.549686 Li\n0.218623 0.745570 0.450349 Li\n0.218598 0.745496 0.950342 Li\n0.260711 0.460393 0.140674 Li\n0.260853 0.460272 0.640638 Li\n0.739190 0.960352 0.359356 Li\n0.739277 0.960295 0.859349 Li\n0.795836 0.753059 0.662180 Cr\n0.203983 0.253186 0.837922 Cr\n0.796050 0.753553 0.162051 Cr\n0.203629 0.253479 0.337920 Cr\n0.728692 0.249671 0.209184 P\n0.728784 0.249407 0.709208 P\n0.271161 0.749662 0.290767 P\n0.271225 0.749295 0.790814 P\n0.682450 0.752566 0.022650 C\n0.682558 0.752432 0.522707 C\n0.317643 0.252560 0.477282 C\n0.317543 0.252473 0.977341 C\n0.931750 0.755762 0.038971 O\n0.931842 0.755531 0.539022 O\n0.068260 0.255780 0.461015 O\n0.068229 0.255551 0.961014 O\n0.389118 0.279906 0.046784 O\n0.389326 0.279796 0.546725 O\n0.610893 0.779839 0.453265 O\n0.610882 0.779746 0.953181 O\n0.512121 0.724291 0.086665 O\n0.512287 0.724027 0.586740 O\n0.487758 0.224208 0.413223 O\n0.487861 0.224031 0.913322 O\n0.789076 0.063206 0.150789 O\n0.789122 0.062783 0.650878 O\n0.210878 0.563183 0.349166 O\n0.210963 0.562789 0.849193 O\n0.836044 0.436897 0.154773 O\n0.836223 0.436572 0.654819 O\n0.163832 0.936875 0.345184 O\n0.163947 0.936535 0.845217 O\n0.136974 0.729361 0.213063 O\n0.137064 0.729091 0.713105 O\n0.862896 0.229340 0.286882 O\n0.862942 0.229119 0.786943 O\n0.423870 0.278384 0.230440 O\n0.423948 0.278146 0.730464 O\n0.575991 0.778357 0.269514 O\n0.576027 0.778085 0.769569 O\n",
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],
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"formula_full": "Li8 Cr4 P4 C4 O28",
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