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{
"id": "mp-1177033",
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"structure_string": "Li12 Mn6 V2 P12 O48\n1.0\n8.612399 0.000000 0.000000\n0.024887 8.723267 0.000000\n0.409198 0.023998 12.364090\nLi Mn V P O\n12 6 2 12 48\ndirect\n0.921263 0.089363 0.695892 Li\n0.927456 0.694152 0.759744 Li\n0.788715 0.776860 0.176513 Li\n0.705768 0.281667 0.326520 Li\n0.577342 0.196969 0.741880 Li\n0.583080 0.583688 0.804672 Li\n0.417689 0.413829 0.196291 Li\n0.417644 0.805507 0.262733 Li\n0.293493 0.716719 0.670313 Li\n0.210589 0.218101 0.827621 Li\n0.083144 0.304882 0.237021 Li\n0.079429 0.917613 0.300541 Li\n0.752885 0.538335 0.603151 Mn\n0.747343 0.959706 0.390955 Mn\n0.252608 0.044166 0.609369 Mn\n0.247880 0.540260 0.891266 Mn\n0.250706 0.960623 0.099493 Mn\n0.248686 0.463740 0.399779 Mn\n0.748093 0.030664 0.892698 V\n0.751122 0.455384 0.111251 V\n0.962532 0.255473 0.494438 P\n0.898804 0.385851 0.857213 P\n0.895527 0.098389 0.151148 P\n0.596823 0.598327 0.346935 P\n0.604447 0.885544 0.644535 P\n0.536258 0.744685 0.007143 P\n0.459509 0.243648 0.996750 P\n0.395720 0.115550 0.361630 P\n0.401626 0.402802 0.657004 P\n0.106319 0.901581 0.841141 P\n0.103022 0.616457 0.138491 P\n0.037117 0.748817 0.502542 P\n0.949099 0.865604 0.430685 O\n0.924993 0.893162 0.847256 O\n0.927727 0.681925 0.594381 O\n0.927698 0.592430 0.165701 O\n0.900859 0.374825 0.577027 O\n0.860153 0.218234 0.820915 O\n0.860257 0.401270 0.978465 O\n0.853673 0.977574 0.242954 O\n0.843461 0.261058 0.189486 O\n0.830237 0.180952 0.434219 O\n0.825693 0.044936 0.047278 O\n0.806734 0.507408 0.793950 O\n0.695004 0.002978 0.713655 O\n0.670041 0.545672 0.449612 O\n0.668962 0.664399 0.066472 O\n0.645614 0.759519 0.306227 O\n0.643814 0.905607 0.523455 O\n0.641293 0.716110 0.678557 O\n0.635722 0.475482 0.256907 O\n0.606555 0.863151 0.927917 O\n0.568357 0.176167 0.905567 O\n0.584151 0.393578 0.650570 O\n0.573174 0.092393 0.336422 O\n0.547380 0.358878 0.067474 O\n0.449628 0.629194 0.935977 O\n0.427128 0.907161 0.666209 O\n0.414144 0.608004 0.352557 O\n0.428045 0.814749 0.097596 O\n0.399927 0.121859 0.079641 O\n0.364272 0.523653 0.749023 O\n0.359185 0.284058 0.323843 O\n0.366450 0.107496 0.485033 O\n0.352332 0.241260 0.696228 O\n0.323050 0.319435 0.941167 O\n0.327026 0.460188 0.555618 O\n0.301437 0.995184 0.301107 O\n0.199299 0.495515 0.198553 O\n0.179434 0.959103 0.942690 O\n0.170652 0.825580 0.560465 O\n0.157187 0.741656 0.800983 O\n0.141335 0.026405 0.750339 O\n0.131927 0.609073 0.014773 O\n0.139219 0.785540 0.175388 O\n0.099004 0.628045 0.421167 O\n0.076244 0.407462 0.833121 O\n0.073049 0.323602 0.403492 O\n0.077692 0.106400 0.148790 O\n0.049040 0.136717 0.564419 O\n",
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"V",
"P",
"O"
],
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"density": 2.9576024870775792,
"density_atomic": 0.08612406537939173,
"volume": 928.8925185728967,
"volume_molar": 6.992401872196124,
"formula_full": "Li12 Mn6 V2 P12 O48",
"formula_reduced": "Li6Mn3V(PO4)6",
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"spacegroup": 1
},
{
"id": "mp-7908",
"created_at": "2022-09-04T14:46:59.880495Z",
"structure_string": "Al2 Zn1 Te4\n1.0\n-3.045959 3.045959 5.988268\n3.045959 -3.045959 5.988268\n3.045959 3.045959 -5.988268\nAl Zn Te\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Zn\n0.397700 0.892483 0.024512 Te\n0.107517 0.132029 0.505218 Te\n0.626812 0.602300 0.494782 Te\n0.867971 0.373188 0.975488 Te\n",
"nsites": 7,
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"elements": [
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],
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"formula_full": "Al2 Zn1 Te4",
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"formula_anonymous": "AB2C4",
"energy": -26.25868473,
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"spacegroup": 82
},
{
"id": "mp-1192185",
"created_at": "2022-09-04T14:46:59.887035Z",
"structure_string": "Dy8 P8 S8\n1.0\n5.317131 0.000000 0.000000\n0.000000 5.374570 0.000000\n0.000000 0.000000 16.726986\nDy P S\n8 8 8\ndirect\n0.250000 0.484091 0.362407 Dy\n0.250000 0.984091 0.137593 Dy\n0.750000 0.515909 0.637593 Dy\n0.750000 0.015909 0.862407 Dy\n0.250000 0.015034 0.646248 Dy\n0.250000 0.515034 0.853752 Dy\n0.750000 0.984966 0.353752 Dy\n0.750000 0.484966 0.146248 Dy\n0.035582 0.294705 0.997275 P\n0.464418 0.794705 0.502725 P\n0.535582 0.705295 0.002725 P\n0.964418 0.205295 0.497275 P\n0.964418 0.705295 0.002725 P\n0.535582 0.205295 0.497275 P\n0.464418 0.294705 0.997275 P\n0.035582 0.794705 0.502725 P\n0.250000 0.484766 0.189183 S\n0.250000 0.984766 0.310817 S\n0.750000 0.515234 0.810817 S\n0.750000 0.015234 0.689183 S\n0.250000 0.011641 0.816276 S\n0.250000 0.511641 0.683724 S\n0.750000 0.988359 0.183724 S\n0.750000 0.488359 0.316276 S\n",
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"formula_full": "Dy8 P8 S8",
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"updated_at": "2021-11-28T01:37:48.780000Z",
"spacegroup": 62
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{
"id": "mp-709352",
"created_at": "2022-09-04T14:46:59.890323Z",
"structure_string": "Na8 Sc8 P16 H48 C16 O52\n1.0\n18.060317 0.000000 0.000000\n0.000000 18.060317 0.000000\n0.000000 0.000000 5.455292\nNa Sc P H C O\n8 8 16 48 16 52\ndirect\n0.370351 0.033595 0.010038 Na\n0.629649 0.966405 0.010038 Na\n0.466405 0.870351 0.510038 Na\n0.533595 0.129649 0.510038 Na\n0.129649 0.466405 0.489962 Na\n0.870351 0.533595 0.489962 Na\n0.033595 0.629649 0.989962 Na\n0.966405 0.370351 0.989962 Na\n0.331197 0.153482 0.493044 Sc\n0.668803 0.846518 0.493044 Sc\n0.346518 0.831197 0.993044 Sc\n0.653482 0.168803 0.993044 Sc\n0.168803 0.346518 0.006956 Sc\n0.831197 0.653482 0.006956 Sc\n0.153482 0.668803 0.506956 Sc\n0.846518 0.331197 0.506956 Sc\n0.454682 0.182631 0.002970 P\n0.545318 0.817369 0.002970 P\n0.317369 0.954682 0.502970 P\n0.682631 0.045318 0.502970 P\n0.045318 0.317369 0.497030 P\n0.954682 0.682631 0.497030 P\n0.182631 0.545318 0.997030 P\n0.817369 0.454682 0.997030 P\n0.207881 0.154908 0.989981 P\n0.792119 0.845092 0.989981 P\n0.345092 0.707881 0.489981 P\n0.654908 0.292119 0.489981 P\n0.292119 0.345092 0.510019 P\n0.707881 0.654908 0.510019 P\n0.154908 0.792119 0.010019 P\n0.845092 0.207881 0.010019 P\n0.507956 0.300521 0.906837 H\n0.492044 0.699479 0.906837 H\n0.199479 0.007956 0.406837 H\n0.800521 0.992044 0.406837 H\n0.992044 0.199479 0.593163 H\n0.007956 0.800521 0.593163 H\n0.300521 0.492044 0.093163 H\n0.699479 0.507956 0.093163 H\n0.410892 0.297336 0.834480 H\n0.589108 0.702664 0.834480 H\n0.202664 0.910892 0.334480 H\n0.797336 0.089108 0.334480 H\n0.089108 0.202664 0.665520 H\n0.910892 0.797336 0.665520 H\n0.297336 0.589108 0.165520 H\n0.702664 0.410892 0.165520 H\n0.440131 0.308862 0.144265 H\n0.559869 0.691138 0.144265 H\n0.191138 0.940131 0.644265 H\n0.808862 0.059869 0.644265 H\n0.059869 0.191138 0.355735 H\n0.940131 0.808862 0.355735 H\n0.308862 0.559869 0.855735 H\n0.691138 0.440131 0.855735 H\n0.105536 0.083208 0.826667 H\n0.894464 0.916792 0.826667 H\n0.416792 0.605536 0.326667 H\n0.583208 0.394464 0.326667 H\n0.394464 0.416792 0.673333 H\n0.605536 0.583208 0.673333 H\n0.083208 0.894464 0.173333 H\n0.916792 0.105536 0.173333 H\n0.154012 0.034681 0.061948 H\n0.845988 0.965319 0.061948 H\n0.465319 0.654012 0.561948 H\n0.534681 0.345988 0.561948 H\n0.345988 0.465319 0.438052 H\n0.654012 0.534681 0.438052 H\n0.034681 0.845988 0.938052 H\n0.965319 0.154012 0.938052 H\n0.090615 0.106021 0.140987 H\n0.909385 0.893979 0.140987 H\n0.393979 0.590615 0.640987 H\n0.606021 0.409385 0.640987 H\n0.409385 0.393979 0.359013 H\n0.590615 0.606021 0.359013 H\n0.106021 0.909385 0.859013 H\n0.893979 0.090615 0.859013 H\n0.453278 0.282316 0.969318 C\n0.546722 0.717684 0.969318 C\n0.217684 0.953278 0.469318 C\n0.782316 0.046722 0.469318 C\n0.046722 0.217684 0.530682 C\n0.953278 0.782316 0.530682 C\n0.282316 0.546722 0.030682 C\n0.717684 0.453278 0.030682 C\n0.132232 0.088746 0.006348 C\n0.867768 0.911254 0.006348 C\n0.411254 0.632232 0.506348 C\n0.588746 0.367768 0.506348 C\n0.367768 0.411254 0.493652 C\n0.632232 0.588746 0.493652 C\n0.088746 0.867768 0.993652 C\n0.911254 0.132232 0.993652 C\n0.425359 0.160226 0.258394 O\n0.574641 0.839774 0.258394 O\n0.339774 0.925359 0.758394 O\n0.660226 0.074641 0.758394 O\n0.074641 0.339774 0.241606 O\n0.925359 0.660226 0.241606 O\n0.160226 0.574641 0.741606 O\n0.839774 0.425359 0.741606 O\n0.407711 0.148713 0.794371 O\n0.592289 0.851287 0.794371 O\n0.351287 0.907711 0.294371 O\n0.648713 0.092289 0.294371 O\n0.092289 0.351287 0.705629 O\n0.907711 0.648713 0.705629 O\n0.148713 0.592289 0.205629 O\n0.851287 0.407711 0.205629 O\n0.344894 0.035386 0.479432 O\n0.655106 0.964614 0.479432 O\n0.464614 0.844894 0.979432 O\n0.535386 0.155106 0.979432 O\n0.155106 0.464614 0.020568 O\n0.844894 0.535386 0.020568 O\n0.035386 0.655106 0.520568 O\n0.964614 0.344894 0.520568 O\n0.243390 0.145953 0.734582 O\n0.756610 0.854047 0.734582 O\n0.354047 0.743390 0.234582 O\n0.645953 0.256610 0.234582 O\n0.256610 0.354047 0.765418 O\n0.743390 0.645953 0.765418 O\n0.145953 0.756610 0.265418 O\n0.854047 0.243390 0.265418 O\n0.263905 0.133018 0.189889 O\n0.736095 0.866982 0.189889 O\n0.366982 0.763905 0.689889 O\n0.633018 0.236095 0.689889 O\n0.236095 0.366982 0.310111 O\n0.763905 0.633018 0.310111 O\n0.133018 0.736095 0.810111 O\n0.866982 0.263905 0.810111 O\n0.325678 0.267938 0.471621 O\n0.674322 0.732062 0.471621 O\n0.232062 0.825678 0.971621 O\n0.767938 0.174322 0.971621 O\n0.174322 0.232062 0.028379 O\n0.825678 0.767938 0.028379 O\n0.267938 0.674322 0.528379 O\n0.732062 0.325678 0.528379 O\n0.500000 0.000000 0.020390 O\n0.500000 0.000000 0.520390 O\n0.000000 0.500000 0.479610 O\n0.000000 0.500000 0.979610 O\n",
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{
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"structure_string": "Ca2 V10 O14\n1.0\n3.123935 -0.000054 0.000011\n-1.562057 5.018018 0.000394\n0.000066 0.001179 18.148042\nCa V O\n2 10 14\ndirect\n0.790266 0.580644 0.750046 Ca\n0.209692 0.419279 0.249967 Ca\n0.277751 0.555601 0.573918 V\n0.722189 0.444354 0.426077 V\n0.722181 0.444179 0.073768 V\n0.277793 0.555720 0.926074 V\n0.000002 0.000043 0.500038 V\n0.000078 0.000038 0.999935 V\n0.458196 0.916392 0.150913 V\n0.541836 0.083686 0.849108 V\n0.541853 0.083684 0.650980 V\n0.458134 0.916296 0.349000 V\n0.461004 0.922054 0.750033 O\n0.538966 0.077891 0.250038 O\n0.633487 0.266948 0.959954 O\n0.366574 0.733118 0.040072 O\n0.366544 0.733112 0.459935 O\n0.633468 0.266957 0.540063 O\n0.169458 0.338976 0.827636 O\n0.830529 0.661074 0.172385 O\n0.830495 0.660973 0.327571 O\n0.169497 0.338955 0.672418 O\n0.916276 0.832563 0.888777 O\n0.083772 0.167481 0.111265 O\n0.083671 0.167338 0.388763 O\n0.916294 0.832643 0.611268 O\n",
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{
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