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{
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"results": [
{
"id": "mp-1177033",
"created_at": "2022-09-04T14:46:59.876113Z",
"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",
"nsites": 80,
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"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"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",
"formula_anonymous": "AB3C6D6E24",
"energy": -607.22773844,
"energy_per_atom": -7.5903467305,
"energy_above_hull": null,
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"energy_uncorrected": -560.84373844,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.619000Z",
"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": [
"Al",
"Zn",
"Te"
],
"chemical_system": "Al-Te-Zn",
"density": 4.705688467931012,
"density_atomic": 0.031498415940673735,
"volume": 222.23339780591752,
"volume_molar": 19.118868616575863,
"formula_full": "Al2 Zn1 Te4",
"formula_reduced": "Al2ZnTe4",
"formula_anonymous": "AB2C4",
"energy": -26.25868473,
"energy_per_atom": -3.7512406757142855,
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"energy_uncorrected": -24.57068473,
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"updated_at": "2021-11-28T01:37:49.597000Z",
"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",
"nsites": 24,
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"elements": [
"Dy",
"P",
"S"
],
"chemical_system": "Dy-P-S",
"density": 6.26789192274261,
"density_atomic": 0.05020794710259246,
"volume": 478.0119758921745,
"volume_molar": 11.994397515785007,
"formula_full": "Dy8 P8 S8",
"formula_reduced": "DyPS",
"formula_anonymous": "ABC",
"energy": -154.79873037,
"energy_per_atom": -6.449947098749999,
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"updated_at": "2021-11-28T01:37:48.780000Z",
"spacegroup": 62
},
{
"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",
"nsites": 148,
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"elements": [
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"Sc",
"P",
"H",
"C",
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],
"chemical_system": "C-H-Na-O-P-Sc",
"density": 1.970632959366476,
"density_atomic": 0.08317503187617953,
"volume": 1779.3801416310087,
"volume_molar": 7.240322755709912,
"formula_full": "Na8 Sc8 P16 H48 C16 O52",
"formula_reduced": "Na2Sc2P4H12C4O13",
"formula_anonymous": "A2B2C4D4E12F13",
"energy": -960.72758,
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"updated_at": "2021-11-28T01:37:49.002000Z",
"spacegroup": 86
},
{
"id": "mp-774396",
"created_at": "2022-09-04T14:46:59.786446Z",
"structure_string": "Li8 Mn5 Fe3 B8 O24\n1.0\n6.030761 0.000000 0.000000\n1.942767 9.542452 0.000000\n1.839459 3.962604 8.825603\nLi Mn Fe B O\n8 5 3 8 24\ndirect\n0.046305 0.467062 0.816810 Li\n0.044935 0.967064 0.314704 Li\n0.455631 0.034707 0.185061 Li\n0.544787 0.465762 0.313331 Li\n0.454325 0.533439 0.685791 Li\n0.544554 0.966383 0.815257 Li\n0.954095 0.033785 0.683819 Li\n0.952642 0.532511 0.182627 Li\n0.314305 0.293523 0.625073 Mn\n0.313036 0.793284 0.124528 Mn\n0.686881 0.206960 0.875717 Mn\n0.685780 0.705546 0.373079 Mn\n0.814581 0.793569 0.627136 Mn\n0.182658 0.202518 0.374356 Fe\n0.183308 0.709015 0.871922 Fe\n0.819572 0.290316 0.129705 Fe\n0.334992 0.367847 0.039403 B\n0.166602 0.133360 0.965371 B\n0.167351 0.632434 0.463505 B\n0.332724 0.868184 0.538861 B\n0.663456 0.133544 0.461635 B\n0.833576 0.367851 0.534311 B\n0.834142 0.867385 0.034491 B\n0.666843 0.630443 0.963093 B\n0.176495 0.015146 0.107897 O\n0.014521 0.247172 0.560667 O\n0.014882 0.745502 0.061066 O\n0.160045 0.363057 0.155819 O\n0.175376 0.515645 0.607562 O\n0.517260 0.247690 0.065625 O\n0.162711 0.861869 0.657781 O\n0.337073 0.135675 0.847907 O\n0.340359 0.634645 0.347849 O\n0.483041 0.253456 0.434063 O\n0.326042 0.485329 0.895838 O\n0.319013 0.988724 0.396998 O\n0.675633 0.016603 0.604957 O\n0.676413 0.512671 0.105395 O\n0.512664 0.748683 0.563092 O\n0.662949 0.364988 0.652035 O\n0.662807 0.865628 0.151179 O\n0.836146 0.135792 0.344889 O\n0.485702 0.751618 0.934974 O\n0.824077 0.484908 0.391359 O\n0.841998 0.634664 0.847285 O\n0.986326 0.254645 0.939393 O\n0.986802 0.753769 0.435399 O\n0.824583 0.985633 0.891386 O\n",
"nsites": 48,
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"volume": 507.89798459786454,
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"formula_full": "Li8 Mn5 Fe3 B8 O24",
"formula_reduced": "Li8Mn5Fe3(BO3)8",
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"energy": -376.08743696,
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"updated_at": "2021-11-28T01:37:50.002000Z",
"spacegroup": 1
},
{
"id": "mp-19809",
"created_at": "2022-09-04T14:46:59.801846Z",
"structure_string": "Mn4 Co4 Si4\n1.0\n3.660380 0.000000 0.000000\n0.000000 5.727871 0.000000\n0.000000 0.000000 6.868130\nMn Co Si\n4 4 4\ndirect\n0.750000 0.972744 0.184034 Mn\n0.250000 0.027256 0.815966 Mn\n0.750000 0.472744 0.315966 Mn\n0.250000 0.527256 0.684034 Mn\n0.250000 0.657866 0.059737 Co\n0.750000 0.342134 0.940263 Co\n0.250000 0.157866 0.440263 Co\n0.750000 0.842134 0.559737 Co\n0.250000 0.266565 0.123202 Si\n0.750000 0.733435 0.876798 Si\n0.250000 0.766565 0.376798 Si\n0.750000 0.233435 0.623202 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Co",
"Si"
],
"chemical_system": "Co-Mn-Si",
"density": 6.5479777803375105,
"density_atomic": 0.08333421273305938,
"volume": 143.99848041330927,
"volume_molar": 7.2264926522920945,
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