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{
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"results": [
{
"id": "mp-1177896",
"created_at": "2022-09-04T14:45:30.017211Z",
"structure_string": "Li6 Mn3 V3 P12 O42\n1.0\n4.850039 0.000000 0.000000\n2.261971 6.679660 0.000000\n0.119121 0.215383 24.987721\nLi Mn V P O\n6 3 3 12 42\ndirect\n0.172536 0.325257 0.620278 Li\n0.173869 0.326797 0.953992 Li\n0.176906 0.325786 0.287173 Li\n0.823137 0.676174 0.120237 Li\n0.825393 0.673265 0.453635 Li\n0.823342 0.675579 0.786793 Li\n0.213070 0.268802 0.499589 Mn\n0.785204 0.728617 0.666498 Mn\n0.785071 0.731094 0.999871 Mn\n0.216071 0.273091 0.166477 V\n0.214740 0.272669 0.833110 V\n0.785709 0.729224 0.333069 V\n0.402255 0.477967 0.059139 P\n0.398726 0.481686 0.393371 P\n0.401072 0.478225 0.725677 P\n0.213523 0.914664 0.261193 P\n0.212923 0.909205 0.595799 P\n0.213395 0.911413 0.928433 P\n0.789935 0.086330 0.095502 P\n0.787287 0.088198 0.428656 P\n0.788791 0.086695 0.762012 P\n0.599993 0.523498 0.226902 P\n0.599103 0.516597 0.559318 P\n0.601491 0.518444 0.893616 P\n0.051361 0.153172 0.108366 O\n0.049790 0.153765 0.775022 O\n0.057825 0.146141 0.442365 O\n0.131218 0.111272 0.898658 O\n0.133002 0.115468 0.232067 O\n0.126232 0.111074 0.567471 O\n0.188881 0.517958 0.011973 O\n0.186899 0.518168 0.678518 O\n0.189667 0.517566 0.345559 O\n0.250133 0.495135 0.780243 O\n0.250721 0.494767 0.113672 O\n0.243493 0.503612 0.446996 O\n0.395728 0.396344 0.225960 O\n0.391638 0.389754 0.557137 O\n0.391729 0.394908 0.891796 O\n0.601709 0.085105 0.145175 O\n0.601240 0.084785 0.478421 O\n0.599913 0.086173 0.811719 O\n0.597918 0.247251 0.051345 O\n0.596215 0.250092 0.385636 O\n0.596903 0.247626 0.717809 O\n0.404698 0.754502 0.218030 O\n0.404552 0.750911 0.885676 O\n0.402364 0.749755 0.552145 O\n0.397949 0.916175 0.310956 O\n0.400835 0.909977 0.645157 O\n0.397405 0.914360 0.978118 O\n0.604590 0.608246 0.057951 O\n0.608438 0.605377 0.391697 O\n0.603968 0.607864 0.724359 O\n0.753091 0.506877 0.281068 O\n0.749920 0.493096 0.613209 O\n0.755458 0.495591 0.947190 O\n0.812533 0.485050 0.179483 O\n0.809685 0.482286 0.511404 O\n0.811059 0.484030 0.845595 O\n0.873487 0.885660 0.067599 O\n0.872474 0.885933 0.734348 O\n0.868327 0.889818 0.399038 O\n0.948597 0.851704 0.274581 O\n0.943072 0.849547 0.609456 O\n0.941741 0.853823 0.942272 O\n",
"nsites": 66,
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"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8778183441560397,
"density_atomic": 0.08153004825928015,
"volume": 809.5174896758087,
"volume_molar": 7.3864064704690415,
"formula_full": "Li6 Mn3 V3 P12 O42",
"formula_reduced": "Li2MnV(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -514.23410559,
"energy_per_atom": -7.791425842272727,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -475.27610559,
"band_gap": 0.5374999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.456000Z",
"spacegroup": 1
},
{
"id": "mp-861570",
"created_at": "2022-09-04T14:45:30.017692Z",
"structure_string": "Li4 Fe2 Co6 O16\n1.0\n2.876976 -4.982001 0.000918\n-2.949044 -5.023595 -0.042455\n2.854238 1.649275 -9.345455\nLi Fe Co O\n4 2 6 16\ndirect\n0.684674 0.630725 0.434813 Li\n0.183901 0.632163 0.935424 Li\n0.815319 0.369288 0.065183 Li\n0.316096 0.367842 0.564577 Li\n0.750020 0.499955 0.749823 Fe\n0.249996 0.500016 0.250139 Fe\n0.000128 0.999787 0.499888 Co\n0.249971 0.000011 0.250007 Co\n0.750019 0.000007 0.250010 Co\n0.499891 0.000175 0.000071 Co\n0.749996 0.999993 0.750031 Co\n0.250013 0.999993 0.750029 Co\n0.604163 0.791612 0.131730 O\n0.104289 0.791494 0.632567 O\n0.895833 0.208397 0.368276 O\n0.395715 0.208497 0.867441 O\n0.380606 0.780410 0.870114 O\n0.882928 0.778026 0.368645 O\n0.607105 0.785842 0.644633 O\n0.105966 0.787963 0.144902 O\n0.838656 0.780810 0.870222 O\n0.339058 0.778144 0.368687 O\n0.661267 0.219139 0.629733 O\n0.160992 0.221906 0.131354 O\n0.892871 0.214204 0.855309 O\n0.394029 0.212040 0.355159 O\n0.119520 0.219540 0.629841 O\n0.616976 0.222022 0.131394 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.552997260950831,
"density_atomic": 0.10249418883000891,
"volume": 273.1862198201229,
"volume_molar": 5.8755923908895795,
"formula_full": "Li4 Fe2 Co6 O16",
"formula_reduced": "Li2FeCo3O8",
"formula_anonymous": "AB2C3D8",
"energy": -190.29067105,
"energy_per_atom": -6.796095394642856,
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"updated_at": "2021-11-28T01:36:53.833000Z",
"spacegroup": 166
},
{
"id": "mp-767490",
"created_at": "2022-09-04T14:45:30.019870Z",
"structure_string": "Li9 Ti12 Nb1 O30\n1.0\n5.136776 -0.000952 -0.001250\n-2.574467 1.482086 23.634605\n2.569212 -4.448247 -0.000443\nLi Ti Nb O\n9 12 1 30\ndirect\n0.025689 0.076953 0.025635 Li\n0.244696 0.737011 0.246297 Li\n0.608547 0.825442 0.608035 Li\n0.389969 0.170131 0.390176 Li\n0.473557 0.420782 0.473606 Li\n0.526553 0.580093 0.527077 Li\n0.973819 0.921795 0.973942 Li\n0.891094 0.670428 0.889748 Li\n0.745528 0.236546 0.745503 Li\n0.104098 0.312727 0.104726 Ti\n0.161977 0.486144 0.162006 Ti\n0.204317 0.612325 0.204354 Ti\n0.065677 0.196507 0.065388 Ti\n0.295882 0.887730 0.295534 Ti\n0.662004 0.986103 0.661925 Ti\n0.338128 0.014220 0.338068 Ti\n0.432298 0.297626 0.432492 Ti\n0.566454 0.699484 0.566281 Ti\n0.703817 0.111496 0.703974 Ti\n0.796361 0.390367 0.796920 Ti\n0.838178 0.514550 0.838368 Ti\n0.931761 0.796472 0.932103 Nb\n0.005464 0.952855 0.350747 O\n0.010567 0.152456 0.383664 O\n0.596898 0.952921 0.005224 O\n0.149614 0.548176 0.494697 O\n0.350641 0.952903 0.596363 O\n0.253411 0.749439 0.626041 O\n0.125728 0.351264 0.459087 O\n0.095768 0.451367 0.849554 O\n0.244377 0.851163 0.984671 O\n0.367078 0.254547 0.124294 O\n0.508760 0.650719 0.262554 O\n0.621162 0.851201 0.244501 O\n0.506282 0.451387 0.095734 O\n0.263487 0.650625 0.879987 O\n0.124251 0.254613 0.763281 O\n0.869299 0.749808 0.255413 O\n0.766653 0.351189 0.125698 O\n0.495123 0.548057 0.903274 O\n0.383558 0.152418 0.758345 O\n0.458928 0.351152 0.766547 O\n0.623927 0.749708 0.870900 O\n0.758066 0.152414 0.010804 O\n0.904010 0.548113 0.149937 O\n0.881685 0.651077 0.506553 O\n0.763301 0.254630 0.367065 O\n0.649757 0.049660 0.404022 O\n0.849587 0.451357 0.506142 O\n0.403941 0.049593 0.995756 O\n0.985817 0.850968 0.620684 O\n0.995831 0.049630 0.649686 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Ti",
"density": 3.7202988678228155,
"density_atomic": 0.09630134662342103,
"volume": 539.9716808046514,
"volume_molar": 6.253433592729618,
"formula_full": "Li9 Ti12 Nb1 O30",
"formula_reduced": "Li9Ti12NbO30",
"formula_anonymous": "AB9C12D30",
"energy": -435.87855389,
"energy_per_atom": -8.382279882499999,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -415.26855389,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.527000Z",
"spacegroup": 146
},
{
"id": "mp-1222665",
"created_at": "2022-09-04T14:45:30.024703Z",
"structure_string": "Li2 Mg1 Cd1 P2\n1.0\n-2.945588 -2.945588 0.000000\n0.000000 0.000000 -5.832014\n2.945588 -2.945588 0.000000\nLi Mg Cd P\n2 1 1 2\ndirect\n0.500000 0.746265 0.000000 Li\n0.000000 0.253735 0.500000 Li\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Cd",
"P"
],
"chemical_system": "Cd-Li-Mg-P",
"density": 3.487454127072484,
"density_atomic": 0.0592868932526603,
"volume": 101.20280673892066,
"volume_molar": 10.157625791480946,
"formula_full": "Li2 Mg1 Cd1 P2",
"formula_reduced": "Li2MgCdP2",
"formula_anonymous": "ABC2D2",
"energy": -18.70256702,
"energy_per_atom": -3.1170945033333335,
"energy_above_hull": null,
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"energy_uncorrected": -18.70256702,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.806000Z",
"spacegroup": 115
},
{
"id": "mp-1218676",
"created_at": "2022-09-04T14:45:30.030029Z",
"structure_string": "Sr4 La1 Fe2 Co3 O15\n1.0\n-5.488430 0.000000 0.000000\n-0.055155 -6.759343 0.000000\n2.699546 2.376397 8.016765\nSr La Fe Co O\n4 1 2 3 15\ndirect\n0.697071 0.299896 0.900614 Sr\n0.102319 0.900177 0.701009 Sr\n0.897681 0.099823 0.298991 Sr\n0.302929 0.700104 0.099386 Sr\n0.500000 0.500000 0.500000 La\n0.298542 0.198497 0.097977 Fe\n0.701458 0.801503 0.902023 Fe\n0.102986 0.400524 0.701161 Co\n0.500000 0.000000 0.500000 Co\n0.897014 0.599476 0.298839 Co\n0.716264 0.786753 0.395454 O\n0.283736 0.213247 0.604546 O\n0.901065 0.584870 0.786743 O\n0.098935 0.415130 0.213257 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.592226 0.399389 0.208878 O\n0.228022 0.808160 0.408626 O\n0.407774 0.600611 0.791122 O\n0.771978 0.191840 0.591374 O\n0.393562 0.111515 0.306614 O\n0.000000 0.500000 0.500000 O\n0.606438 0.888485 0.693386 O\n0.803687 0.695669 0.096918 O\n0.196313 0.304331 0.903082 O\n",
"nsites": 25,
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"elements": [
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"La",
"Fe",
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"O"
],
"chemical_system": "Co-Fe-La-O-Sr",
"density": 5.683134848155879,
"density_atomic": 0.08405977843883208,
"volume": 297.40739821473346,
"volume_molar": 7.164116860457991,
"formula_full": "Sr4 La1 Fe2 Co3 O15",
"formula_reduced": "Sr4LaFe2(CoO5)3",
"formula_anonymous": "AB2C3D4E15",
"energy": -179.36583117,
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"updated_at": "2021-11-28T01:37:07.401000Z",
"spacegroup": 2
},
{
"id": "mp-763428",
"created_at": "2022-09-04T14:45:30.073008Z",
"structure_string": "Li3 Fe3 Co1 O8\n1.0\n2.927302 5.141061 0.000000\n-2.927302 5.141061 0.000000\n0.000000 1.602396 4.779140\nLi Fe Co O\n3 3 1 8\ndirect\n0.752337 0.752337 0.491977 Li\n0.010636 0.488572 0.996899 Li\n0.488572 0.010636 0.996899 Li\n0.756543 0.245295 0.500210 Fe\n0.245295 0.756543 0.500210 Fe\n0.498303 0.498303 0.005099 Fe\n0.001265 0.001265 0.995708 Co\n0.847979 0.364765 0.778378 O\n0.364765 0.847979 0.778378 O\n0.610470 0.610470 0.250702 O\n0.109916 0.109916 0.242242 O\n0.886458 0.886458 0.744348 O\n0.391872 0.391872 0.763437 O\n0.652280 0.136036 0.221876 O\n0.136036 0.652280 0.221876 O\n",
"nsites": 15,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.332233766461829,
"density_atomic": 0.10427764729870108,
"volume": 143.84674365574074,
"volume_molar": 5.775102254416718,
"formula_full": "Li3 Fe3 Co1 O8",
"formula_reduced": "Li3Fe3CoO8",
"formula_anonymous": "AB3C3D8",
"energy": -103.9108968,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:00.860000Z",
"spacegroup": 8
},
{
"id": "mp-1097404",
"created_at": "2022-09-04T14:45:30.712617Z",
"structure_string": "Ta2 Mn1 Mo1\n1.0\n-4.582138 5.383578 7.570022\n4.582138 -5.383578 7.570022\n4.582138 5.383578 -7.570022\nTa Mn Mo\n2 1 1\ndirect\n0.000000 0.253417 0.253417 Ta\n0.000000 0.746583 0.746583 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"Mn",
"Mo"
],
"chemical_system": "Mn-Mo-Ta",
"density": 1.1399311495923248,
"density_atomic": 0.005355051896167694,
"volume": 746.9582139554188,
"volume_molar": 112.45718765694322,
"formula_full": "Ta2 Mn1 Mo1",
"formula_reduced": "Ta2MnMo",
"formula_anonymous": "ABC2",
"energy": -26.23519152,
"energy_per_atom": -6.55879788,
"energy_above_hull": null,
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"energy_uncorrected": -26.23519152,
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"spacegroup": 71
},
{
"id": "mp-728692",
"created_at": "2022-09-04T14:45:30.034019Z",
"structure_string": "Na6 V2 Mo6 O42\n1.0\n9.298013 0.000000 0.000000\n-1.583813 10.217086 0.000000\n-0.605824 -4.311446 9.489436\nNa V Mo O\n6 2 6 42\ndirect\n0.602648 0.161498 0.373481 Na\n0.397352 0.838502 0.626519 Na\n0.516503 0.167981 0.986198 Na\n0.483497 0.832019 0.013802 Na\n0.859830 0.525184 0.304769 Na\n0.140170 0.474816 0.695231 Na\n0.821458 0.034200 0.050280 V\n0.178542 0.965800 0.949720 V\n0.850056 0.829306 0.662227 Mo\n0.149944 0.170694 0.337773 Mo\n0.862965 0.646822 0.867163 Mo\n0.137035 0.353178 0.132837 Mo\n0.970701 0.184925 0.798210 Mo\n0.029299 0.815075 0.201790 Mo\n0.916056 0.692947 0.531890 O\n0.083944 0.307053 0.468110 O\n0.686414 0.842305 0.579605 O\n0.313586 0.157695 0.420395 O\n0.753750 0.726388 0.762972 O\n0.246250 0.273612 0.237028 O\n0.990612 0.992758 0.675463 O\n0.009388 0.007242 0.324537 O\n0.958143 0.176152 0.176636 O\n0.041857 0.823848 0.823364 O\n0.828872 0.028773 0.879838 O\n0.171128 0.971227 0.120162 O\n0.719976 0.561346 0.922274 O\n0.280024 0.438654 0.077726 O\n0.911825 0.508759 0.725978 O\n0.088175 0.491241 0.274022 O\n0.965717 0.318716 0.994108 O\n0.034283 0.681284 0.005892 O\n0.852099 0.868968 0.043941 O\n0.147901 0.131032 0.956059 O\n0.118769 0.289487 0.767889 O\n0.881231 0.710513 0.232111 O\n0.824822 0.205954 0.704443 O\n0.175178 0.794046 0.295557 O\n0.648824 0.057480 0.098913 O\n0.351176 0.942520 0.901087 O\n0.538919 0.079530 0.650554 O\n0.461081 0.920470 0.349446 O\n0.669160 0.887117 0.259078 O\n0.330840 0.112883 0.740922 O\n0.444984 0.617496 0.747648 O\n0.555016 0.382504 0.252352 O\n0.557460 0.208534 0.673750 O\n0.442540 0.791466 0.326251 O\n0.818281 0.305156 0.348468 O\n0.181719 0.694844 0.651532 O\n0.628618 0.759814 0.237000 O\n0.371382 0.240186 0.763000 O\n0.468646 0.494950 0.716273 O\n0.531354 0.505050 0.283727 O\n0.253730 0.645578 0.939059 O\n0.746270 0.354422 0.060941 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
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"V",
"Mo",
"O"
],
"chemical_system": "Mo-Na-O-V",
"density": 2.739869690621817,
"density_atomic": 0.062119854218568554,
"volume": 901.4831200820938,
"volume_molar": 9.694389717675628,
"formula_full": "Na6 V2 Mo6 O42",
"formula_reduced": "Na3V(MoO7)3",
"formula_anonymous": "AB3C3D21",
"energy": -357.71013385000003,
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