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{
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"results": [
{
"id": "mp-1034608",
"created_at": "2022-09-04T14:40:20.684148Z",
"structure_string": "Na1 Mg14 Ga1 O16\n1.0\n8.558666 0.000000 0.000000\n0.000000 8.514395 0.000000\n0.000000 0.000000 4.290070\nNa Mg Ga O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.243052 0.500000 Mg\n0.000000 0.756948 0.500000 Mg\n0.500000 0.247480 0.500000 Mg\n0.500000 0.752520 0.500000 Mg\n0.247214 0.000000 0.500000 Mg\n0.251628 0.500000 0.500000 Mg\n0.752786 0.000000 0.500000 Mg\n0.748372 0.500000 0.500000 Mg\n0.251184 0.244940 0.000000 Mg\n0.251184 0.755060 0.000000 Mg\n0.748816 0.244940 -0.000000 Mg\n0.748816 0.755060 0.000000 Mg\n0.000000 0.500000 0.000000 Ga\n0.262767 0.000000 0.000000 O\n0.244199 0.500000 0.000000 O\n0.737233 0.000000 0.000000 O\n0.755801 0.500000 0.000000 O\n0.249065 0.251690 0.500000 O\n0.249065 0.748310 0.500000 O\n0.750935 0.251690 0.500000 O\n0.750935 0.748310 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.273331 0.000000 O\n0.000000 0.726669 0.000000 O\n0.500000 0.254997 0.000000 O\n0.500000 0.745003 -0.000000 O\n",
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"volume": 312.62539328784015,
"volume_molar": 5.883356636030414,
"formula_full": "Na1 Mg14 Ga1 O16",
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"energy": -199.15367845,
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},
{
"id": "mp-1179616",
"created_at": "2022-09-04T14:40:20.667563Z",
"structure_string": "Sb8 P8 C8 O28\n1.0\n4.990605 0.000000 -0.440780\n0.000000 17.649304 0.000000\n0.061208 0.000000 10.818367\nSb P C O\n8 8 8 28\ndirect\n0.836424 0.401089 0.937575 Sb\n0.163576 0.901089 0.562425 Sb\n0.163576 0.598911 0.062425 Sb\n0.836424 0.098911 0.437575 Sb\n0.896921 0.185168 0.152071 Sb\n0.103079 0.685168 0.347929 Sb\n0.103079 0.814832 0.847929 Sb\n0.896921 0.314832 0.652071 Sb\n0.377440 0.324598 0.141223 P\n0.622560 0.824598 0.358777 P\n0.622560 0.675402 0.858777 P\n0.377440 0.175402 0.641223 P\n0.280520 0.040208 0.235262 P\n0.719480 0.540208 0.264738 P\n0.719480 0.959792 0.764738 P\n0.280520 0.459792 0.735262 P\n0.493476 0.388814 0.259819 C\n0.506524 0.888814 0.240181 C\n0.506524 0.611186 0.740181 C\n0.493476 0.111186 0.759819 C\n0.386802 0.946909 0.206768 C\n0.613198 0.446908 0.293232 C\n0.613198 0.053091 0.793232 C\n0.386802 0.553091 0.706768 C\n0.231893 0.254952 0.190603 O\n0.768107 0.754952 0.309397 O\n0.768107 0.745048 0.809397 O\n0.231893 0.245048 0.690603 O\n0.198831 0.373816 0.052921 O\n0.801169 0.873816 0.447079 O\n0.801169 0.626184 0.947079 O\n0.198831 0.126184 0.552921 O\n0.638003 0.300060 0.087056 O\n0.361997 0.800060 0.412943 O\n0.361997 0.699940 0.912943 O\n0.638003 0.199940 0.587057 O\n0.113057 0.029309 0.348729 O\n0.886943 0.529309 0.151271 O\n0.886943 0.970691 0.651271 O\n0.113057 0.470691 0.848729 O\n0.111230 0.078375 0.127291 O\n0.888770 0.578375 0.372709 O\n0.888770 0.921625 0.872709 O\n0.111230 0.421625 0.627291 O\n0.542475 0.084083 0.264369 O\n0.457525 0.584083 0.235631 O\n0.457525 0.915917 0.735631 O\n0.542475 0.415917 0.764369 O\n0.911900 0.312702 0.834570 O\n0.088100 0.812702 0.665430 O\n0.088100 0.687298 0.165430 O\n0.911900 0.187298 0.334570 O\n",
"nsites": 52,
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"elements": [
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"P",
"C",
"O"
],
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"density": 3.07585113596938,
"density_atomic": 0.054543611015676154,
"volume": 953.3655552261638,
"volume_molar": 11.040964556360603,
"formula_full": "Sb8 P8 C8 O28",
"formula_reduced": "Sb2P2C2O7",
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"energy": -371.73628963,
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"energy_uncorrected": -352.50028963,
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"updated_at": "2021-11-28T01:34:52.318000Z",
"spacegroup": 14
},
{
"id": "mp-1176722",
"created_at": "2022-09-04T14:40:20.710425Z",
"structure_string": "Li6 Mn12 P12 O48\n1.0\n-9.093335 0.000000 0.000000\n-0.697706 -9.105135 0.000000\n4.082769 3.786385 10.840359\nLi Mn P O\n6 12 12 48\ndirect\n0.500000 0.500000 0.000000 Li\n0.352142 0.374568 0.359303 Li\n0.748981 0.748925 0.248247 Li\n0.000000 0.000000 0.500000 Li\n0.251019 0.251075 0.751753 Li\n0.647858 0.625432 0.640697 Li\n0.474604 0.159626 0.095936 Mn\n0.015991 0.335938 0.401293 Mn\n0.085612 0.771771 0.152218 Mn\n0.858638 0.386483 0.124078 Mn\n0.643408 0.102802 0.375371 Mn\n0.414844 0.730423 0.347885 Mn\n0.585156 0.269577 0.652115 Mn\n0.356592 0.897198 0.624629 Mn\n0.141362 0.613517 0.875922 Mn\n0.984009 0.664062 0.598707 Mn\n0.914388 0.228229 0.847782 Mn\n0.525396 0.840374 0.904064 Mn\n0.207184 0.427856 0.078018 P\n0.827830 0.038600 0.174189 P\n0.289479 0.082248 0.420286 P\n0.415288 0.834568 0.122233 P\n0.083009 0.664667 0.375092 P\n0.673120 0.451665 0.329557 P\n0.326880 0.548335 0.670443 P\n0.916991 0.335333 0.624908 P\n0.584712 0.165432 0.877767 P\n0.710521 0.917752 0.579714 P\n0.172170 0.961400 0.825811 P\n0.792816 0.572144 0.921982 P\n0.035590 0.366110 0.034627 O\n0.666114 0.021029 0.068304 O\n0.450695 0.013807 0.181832 O\n0.318636 0.325168 0.145529 O\n0.195544 0.216355 0.376508 O\n0.237079 0.796657 0.063614 O\n0.050123 0.484530 0.316365 O\n0.219827 0.594721 0.179627 O\n0.487502 0.749371 0.018032 O\n0.996551 0.734858 0.271540 O\n0.747828 0.555474 0.028420 O\n0.806699 0.996858 0.280706 O\n0.247658 0.061501 0.526710 O\n0.614485 0.279363 0.286605 O\n0.885634 0.211270 0.216632 O\n0.463352 0.137507 0.459962 O\n0.691599 0.498706 0.224868 O\n0.504624 0.764061 0.224098 O\n0.008887 0.750771 0.477153 O\n0.158647 0.531568 0.568915 O\n0.262790 0.925432 0.313249 O\n0.261321 0.698255 0.434540 O\n0.560165 0.551263 0.392692 O\n0.056042 0.068582 0.879875 O\n0.943958 0.931418 0.120125 O\n0.439835 0.448737 0.607308 O\n0.738679 0.301745 0.565460 O\n0.841353 0.468432 0.431085 O\n0.737210 0.074568 0.686751 O\n0.991113 0.249229 0.522847 O\n0.495376 0.235939 0.775902 O\n0.308401 0.501294 0.775132 O\n0.536648 0.862493 0.540038 O\n0.114366 0.788730 0.783368 O\n0.385515 0.720637 0.713395 O\n0.752342 0.938499 0.473290 O\n0.193301 0.003142 0.719294 O\n0.252172 0.444526 0.971580 O\n0.003449 0.265142 0.728460 O\n0.512498 0.250629 0.981968 O\n0.780173 0.405279 0.820373 O\n0.949877 0.515470 0.683635 O\n0.762921 0.203343 0.936386 O\n0.804456 0.783645 0.623492 O\n0.681364 0.674832 0.854471 O\n0.549305 0.986193 0.818168 O\n0.333886 0.978971 0.931696 O\n0.964410 0.633890 0.965373 O\n",
"nsites": 78,
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"elements": [
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"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.4052230808771196,
"density_atomic": 0.08690431835745094,
"volume": 897.5388274627953,
"volume_molar": 6.929621995572189,
"formula_full": "Li6 Mn12 P12 O48",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -620.55564407,
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"updated_at": "2021-11-28T01:34:59.991000Z",
"spacegroup": 2
},
{
"id": "mp-1198591",
"created_at": "2022-09-04T14:40:20.728071Z",
"structure_string": "Rb4 Mo4 P4 O24\n1.0\n0.000000 6.353793 8.063593\n5.608807 0.000000 8.063593\n5.608807 6.353793 0.000000\nRb Mo P O\n4 4 4 24\ndirect\n0.796555 0.203445 0.203445 Rb\n0.203445 0.796555 0.796555 Rb\n0.453445 0.046555 0.046555 Rb\n0.046555 0.453445 0.453445 Rb\n0.968968 0.531032 0.968968 Mo\n0.531032 0.968968 0.531032 Mo\n0.281032 0.718968 0.281032 Mo\n0.718968 0.281032 0.718968 Mo\n0.367508 0.367508 0.632492 P\n0.632492 0.632492 0.367508 P\n0.882492 0.882492 0.617508 P\n0.617508 0.617508 0.882492 P\n0.161541 0.455395 0.730355 O\n0.652709 0.730355 0.455395 O\n0.730355 0.652709 0.161541 O\n0.455395 0.161541 0.652709 O\n0.088459 0.794605 0.519645 O\n0.597291 0.519645 0.794605 O\n0.519645 0.597291 0.088459 O\n0.794605 0.088459 0.597291 O\n0.444623 0.393836 0.727087 O\n0.434453 0.727087 0.393836 O\n0.727087 0.434453 0.444623 O\n0.393836 0.444623 0.434453 O\n0.805377 0.856164 0.522913 O\n0.815547 0.522913 0.856164 O\n0.522913 0.815547 0.805377 O\n0.856164 0.805377 0.815547 O\n0.073432 0.571251 0.040072 O\n0.315245 0.040072 0.571251 O\n0.040072 0.315245 0.073432 O\n0.571251 0.073432 0.315245 O\n0.176568 0.678749 0.209928 O\n0.934755 0.209928 0.678749 O\n0.209928 0.934755 0.176568 O\n0.678749 0.176568 0.934755 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Mo-O-P-Rb",
"density": 3.563939064404949,
"density_atomic": 0.06263835559686873,
"volume": 574.7277312273445,
"volume_molar": 9.614142489240322,
"formula_full": "Rb4 Mo4 P4 O24",
"formula_reduced": "RbMoPO6",
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"updated_at": "2021-11-28T01:35:00.863000Z",
"spacegroup": 70
},
{
"id": "mp-1079685",
"created_at": "2022-09-04T14:40:28.944137Z",
"structure_string": "La2 Ni2 P2 O2\n1.0\n4.080284 0.000000 0.000000\n0.000000 4.080284 0.000000\n0.000000 0.000000 8.015786\nLa Ni P O\n2 2 2 2\ndirect\n0.000000 0.500000 0.847468 La\n0.500000 0.000000 0.152532 La\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.384775 P\n0.500000 0.000000 0.615225 P\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"formula_full": "La2 Ni2 P2 O2",
"formula_reduced": "LaNiPO",
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"energy": -55.31510673,
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"spacegroup": 129
},
{
"id": "mp-1174475",
"created_at": "2022-09-04T14:40:20.686191Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n3.022053 0.000000 0.000000\n1.491010 6.253997 0.000000\n0.731646 1.445850 13.513394\nLi Mn Co O\n8 2 4 14\ndirect\n0.797143 0.854049 0.567859 Li\n0.629976 0.439780 0.286710 Li\n0.500000 0.000000 0.000000 Li\n0.202857 0.145951 0.432141 Li\n0.070907 0.711104 0.144290 Li\n0.929093 0.288896 0.855710 Li\n0.370024 0.560220 0.713290 Li\n0.500000 0.500000 0.500000 Li\n0.632673 0.930400 0.783602 Mn\n0.367327 0.069600 0.216398 Mn\n0.208343 0.641523 0.928827 Co\n0.079995 0.226114 0.635328 Co\n0.920005 0.773886 0.364672 Co\n0.791657 0.358477 0.071173 Co\n0.229232 0.915898 0.677473 O\n0.060335 0.493366 0.387476 O\n0.965245 0.049566 0.108824 O\n0.673551 0.181484 0.544165 O\n0.518785 0.762314 0.255011 O\n0.342548 0.337447 0.967391 O\n0.753015 0.620875 0.825893 O\n0.326449 0.818516 0.455835 O\n0.246985 0.379125 0.174107 O\n0.034755 0.950434 0.891176 O\n0.770768 0.084102 0.322527 O\n0.657452 0.662553 0.032609 O\n0.481215 0.237686 0.744989 O\n0.939665 0.506634 0.612524 O\n",
"nsites": 28,
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"elements": [
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"Co",
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],
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"density": 4.064378929064206,
"density_atomic": 0.10963111895948571,
"volume": 255.40193574369542,
"volume_molar": 5.493094312232175,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -181.99465907,
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"updated_at": "2021-11-28T01:34:49.653000Z",
"spacegroup": 2
},
{
"id": "mp-541550",
"created_at": "2022-09-04T14:40:20.692700Z",
"structure_string": "Mg16 Si8 H1 O32\n1.0\n6.073898 0.000000 0.000000\n0.000000 9.668876 0.000000\n0.000000 0.160982 10.471102\nMg Si H O\n16 8 1 32\ndirect\n0.257311 0.994997 0.993534 Mg\n0.258167 0.756180 0.502510 Mg\n0.742689 0.994997 0.993534 Mg\n0.741833 0.756180 0.502510 Mg\n0.500000 0.499715 0.279147 Mg\n0.000000 0.755090 0.219395 Mg\n0.000000 0.991995 0.721274 Mg\n0.500000 0.742187 0.778759 Mg\n0.254750 0.497963 0.001073 Mg\n0.261428 0.244599 0.510198 Mg\n0.745250 0.497963 0.001073 Mg\n0.738572 0.244599 0.510198 Mg\n0.500000 0.004359 0.276161 Mg\n0.000000 0.232563 0.196471 Mg\n0.000000 0.496845 0.725185 Mg\n0.500000 0.249161 0.780376 Mg\n0.500000 0.784336 0.094443 Si\n0.000000 0.552958 0.416298 Si\n0.000000 0.710710 0.906071 Si\n0.500000 0.962857 0.596883 Si\n0.500000 0.283596 0.091234 Si\n0.000000 0.038082 0.405287 Si\n0.000000 0.210089 0.898174 Si\n0.500000 0.464212 0.595174 Si\n0.000000 0.347774 0.350298 H\n0.500000 0.614694 0.094842 O\n0.000000 0.868606 0.407137 O\n0.000000 0.879825 0.904546 O\n0.500000 0.633680 0.592169 O\n0.500000 0.894129 0.450456 O\n0.000000 0.637605 0.052439 O\n0.000000 0.623519 0.559076 O\n0.500000 0.856590 0.947075 O\n0.288738 0.859714 0.160854 O\n0.224229 0.612998 0.342602 O\n0.788738 0.636431 0.838897 O\n0.721376 0.887454 0.664235 O\n0.211262 0.636431 0.838897 O\n0.278624 0.887454 0.664235 O\n0.711262 0.859714 0.160854 O\n0.775771 0.612998 0.342602 O\n0.500000 0.113993 0.087151 O\n0.000000 0.379232 0.444775 O\n0.000000 0.378822 0.907704 O\n0.500000 0.131707 0.596999 O\n0.500000 0.387536 0.451534 O\n0.000000 0.127518 0.040873 O\n0.000000 0.108062 0.551509 O\n0.500000 0.360930 0.946651 O\n0.287415 0.355624 0.160002 O\n0.221835 0.113346 0.337020 O\n0.787654 0.137478 0.831529 O\n0.720749 0.389827 0.665601 O\n0.212346 0.137478 0.831529 O\n0.279251 0.389827 0.665601 O\n0.712585 0.355624 0.160002 O\n0.778165 0.113346 0.337020 O\n",
"nsites": 57,
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"elements": [
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"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.0420388104257783,
"density_atomic": 0.09269130155820113,
"volume": 614.9444342866362,
"volume_molar": 6.4969858646538485,
"formula_full": "Mg16 Si8 H1 O32",
"formula_reduced": "Mg16Si8HO32",
"formula_anonymous": "AB8C16D32",
"energy": -406.73027198,
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{
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}