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{
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"results": [
{
"id": "mp-1175407",
"created_at": "2022-09-04T14:40:28.708130Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.897111 0.000000 0.000000\n1.461960 6.273421 0.000000\n1.923304 0.106376 7.633196\nLi Mn Co O\n9 2 5 16\ndirect\n0.942075 0.876569 0.371090 Li\n0.676488 0.366492 0.876864 Li\n0.430823 0.875030 0.364785 Li\n0.802202 0.632240 0.123409 Li\n0.569177 0.124970 0.635215 Li\n0.323512 0.633508 0.123136 Li\n0.197798 0.367760 0.876591 Li\n0.057925 0.123431 0.628910 Li\n0.500000 0.000000 0.000000 Li\n0.871295 0.753268 0.754884 Mn\n0.128705 0.246732 0.245116 Mn\n0.622051 0.251287 0.244281 Co\n0.377949 0.748713 0.755719 Co\n0.247894 0.500523 0.497959 Co\n0.000000 0.000000 0.000000 Co\n0.752106 0.499477 0.502041 Co\n0.151735 0.792540 0.566898 O\n0.919325 0.295129 0.081119 O\n0.666842 0.794221 0.583362 O\n0.013387 0.548083 0.318494 O\n0.784631 0.045635 0.808493 O\n0.520420 0.543652 0.320145 O\n0.386774 0.314980 0.073004 O\n0.267631 0.036578 0.817206 O\n0.732369 0.963422 0.182794 O\n0.479580 0.456348 0.679855 O\n0.215369 0.954365 0.191507 O\n0.613226 0.685020 0.926996 O\n0.333158 0.205779 0.416638 O\n0.080675 0.704871 0.918881 O\n0.986613 0.451917 0.681506 O\n0.848265 0.207460 0.433102 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.93704322,
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"updated_at": "2021-11-28T01:34:46.579000Z",
"spacegroup": 2
},
{
"id": "mp-1306361",
"created_at": "2022-09-04T14:40:28.717596Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.866073 0.185692 -0.375036\n-0.480567 5.839745 -0.776225\n-0.080787 -0.035178 10.583326\nLi Mn Co O\n6 2 2 10\ndirect\n0.600691 0.300330 0.199986 Li\n0.600909 0.799863 0.199947 Li\n0.010572 0.511595 0.019303 Li\n0.187321 0.087818 0.380741 Li\n0.401019 0.700827 0.803106 Li\n0.796651 0.899240 0.597291 Li\n0.195615 0.601230 0.389335 Mn\n0.013707 0.998879 0.010890 Mn\n0.791766 0.397318 0.598886 Co\n0.398255 0.202507 0.800844 Co\n0.507475 0.223878 0.998887 O\n0.703354 0.376269 0.401397 O\n0.096137 0.047182 0.184761 O\n0.107242 0.553244 0.215388 O\n0.869077 0.435445 0.798849 O\n0.266844 0.164523 0.601196 O\n0.314473 0.630083 0.589386 O\n0.930128 0.969774 0.809915 O\n0.701213 0.821556 0.399954 O\n0.507550 0.778437 0.999941 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.009503396939483,
"density_atomic": 0.11246753170931423,
"volume": 177.82910050602328,
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"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.76852911,
"energy_per_atom": -6.5884264555000005,
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"band_gap": 0.3703000000000003,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:01.936000Z",
"spacegroup": 1
},
{
"id": "mp-1016569",
"created_at": "2022-09-04T14:40:28.720732Z",
"structure_string": "Mg12 Nb2 Cd2\n1.0\n4.944352 0.000000 0.000000\n0.000000 6.296696 0.000000\n0.000000 0.000000 10.913465\nMg Nb Cd\n12 2 2\ndirect\n0.000000 0.251498 0.081874 Mg\n0.000000 0.748502 0.081874 Mg\n0.000000 0.000000 0.334459 Mg\n0.500000 0.740855 0.413599 Mg\n0.500000 0.259145 0.413599 Mg\n0.500000 0.000000 0.166940 Mg\n0.000000 0.751498 0.581874 Mg\n0.000000 0.248502 0.581874 Mg\n0.000000 0.500000 0.834459 Mg\n0.500000 0.240855 0.913599 Mg\n0.500000 0.759145 0.913599 Mg\n0.500000 0.500000 0.666940 Mg\n0.000000 0.500000 0.333741 Nb\n0.000000 0.000000 0.833741 Nb\n0.500000 0.500000 0.173914 Cd\n0.500000 0.000000 0.673914 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Nb",
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],
"chemical_system": "Cd-Mg-Nb",
"density": 3.432288281264219,
"density_atomic": 0.04709070741935107,
"volume": 339.7697948666851,
"volume_molar": 12.788384566771894,
"formula_full": "Mg12 Nb2 Cd2",
"formula_reduced": "Mg6NbCd",
"formula_anonymous": "ABC6",
"energy": -39.26354184,
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"updated_at": "2021-11-28T01:35:00.413000Z",
"spacegroup": 38
},
{
"id": "mp-1094500",
"created_at": "2022-09-04T14:40:28.728450Z",
"structure_string": "Mg2 Zn4\n1.0\n5.275875 -2.437053 0.000000\n5.275875 2.437053 0.000000\n4.150142 0.000000 4.068219\nMg Zn\n2 4\ndirect\n0.833129 0.833129 0.833129 Mg\n0.166871 0.166871 0.166871 Mg\n0.000000 0.661975 0.338025 Zn\n0.661975 0.338025 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.338025 0.000000 0.661975 Zn\n",
"nsites": 6,
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"elements": [
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"Zn"
],
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"density": 4.924492692870656,
"density_atomic": 0.05735317427778023,
"volume": 104.61495942561143,
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"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.23549388,
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"updated_at": "2021-11-28T01:35:02.934000Z",
"spacegroup": 155
},
{
"id": "mp-1391671",
"created_at": "2022-09-04T14:40:28.734994Z",
"structure_string": "La2 Mg1 Ni1 O6\n1.0\n4.670980 -2.763052 0.000000\n4.670980 2.763052 0.000000\n3.036536 0.000000 4.497995\nLa Mg Ni O\n2 1 1 6\ndirect\n0.751505 0.751505 0.751505 La\n0.248495 0.248495 0.248495 La\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ni\n0.764394 0.301088 0.178913 O\n0.178913 0.764394 0.301088 O\n0.301088 0.178913 0.764394 O\n0.235606 0.698912 0.821087 O\n0.698912 0.821087 0.235606 O\n0.821087 0.235606 0.698912 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Mg",
"Ni",
"O"
],
"chemical_system": "La-Mg-Ni-O",
"density": 6.5333303723335305,
"density_atomic": 0.08612990534526208,
"volume": 116.10369197450987,
"volume_molar": 6.991927758261808,
"formula_full": "La2 Mg1 Ni1 O6",
"formula_reduced": "La2MgNiO6",
"formula_anonymous": "ABC2D6",
"energy": -75.10339146999999,
"energy_per_atom": -7.510339146999999,
"energy_above_hull": null,
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"energy_uncorrected": -68.44039147,
"band_gap": 1.3640999999999996,
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"updated_at": "2021-11-28T01:34:50.219000Z",
"spacegroup": 148
},
{
"id": "mp-1229032",
"created_at": "2022-09-04T14:40:28.735537Z",
"structure_string": "Ag1 Pt4\n1.0\n11.778689 -1.404997 0.000000\n11.778689 1.404997 0.000000\n11.611097 0.000000 2.427749\nAg Pt\n1 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.598770 0.598770 0.598770 Pt\n0.199509 0.199509 0.199509 Pt\n0.800491 0.800491 0.800491 Pt\n0.401230 0.401230 0.401230 Pt\n",
"nsites": 5,
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"elements": [
"Ag",
"Pt"
],
"chemical_system": "Ag-Pt",
"density": 18.35505915317008,
"density_atomic": 0.062224852076085524,
"volume": 80.35374666517878,
"volume_molar": 9.678031460221744,
"formula_full": "Ag1 Pt4",
"formula_reduced": "AgPt4",
"formula_anonymous": "AB4",
"energy": -27.30205203,
"energy_per_atom": -5.460410405999999,
"energy_above_hull": null,
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"energy_uncorrected": -27.30205203,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:05.672000Z",
"spacegroup": 166
},
{
"id": "mp-766695",
"created_at": "2022-09-04T14:40:28.716845Z",
"structure_string": "Li12 Cr4 P4 C4 O28\n1.0\n6.489600 0.000000 0.000000\n0.000000 9.539717 0.000000\n0.000000 4.419761 8.948515\nLi Cr P C O\n12 4 4 4 28\ndirect\n0.249583 0.111456 0.307649 Li\n0.250417 0.111456 0.807649 Li\n0.020082 0.293562 0.486165 Li\n0.479918 0.293562 0.986165 Li\n0.757759 0.356701 0.684142 Li\n0.742241 0.356701 0.184142 Li\n0.242241 0.643299 0.315858 Li\n0.257759 0.643299 0.815858 Li\n0.979918 0.706438 0.513835 Li\n0.520082 0.706438 0.013835 Li\n0.750417 0.888544 0.692351 Li\n0.749583 0.888544 0.192351 Li\n0.517362 0.259304 0.495920 Cr\n0.982638 0.259304 0.995920 Cr\n0.482638 0.740696 0.504080 Cr\n0.017362 0.740696 0.004080 Cr\n0.253676 0.410758 0.682282 P\n0.246324 0.410758 0.182282 P\n0.746324 0.589242 0.317718 P\n0.753676 0.589242 0.817718 P\n0.736596 0.040507 0.376613 C\n0.763404 0.040507 0.876613 C\n0.263404 0.959493 0.623387 C\n0.236596 0.959493 0.123387 C\n0.750998 0.061816 0.741981 O\n0.749002 0.061816 0.241981 O\n0.277913 0.103183 0.512702 O\n0.741701 0.156504 0.411558 O\n0.222087 0.103183 0.012702 O\n0.758299 0.156504 0.911558 O\n0.064027 0.314706 0.678159 O\n0.442545 0.312740 0.673901 O\n0.057455 0.312740 0.173901 O\n0.435973 0.314706 0.178159 O\n0.749704 0.421894 0.450819 O\n0.235363 0.424965 0.330785 O\n0.750296 0.421894 0.950819 O\n0.264637 0.424965 0.830785 O\n0.764637 0.575035 0.669215 O\n0.250296 0.578106 0.549181 O\n0.735363 0.575035 0.169215 O\n0.249704 0.578106 0.049181 O\n0.935973 0.685294 0.321841 O\n0.557455 0.687260 0.326099 O\n0.942545 0.687260 0.826099 O\n0.564027 0.685294 0.821841 O\n0.258299 0.843496 0.588442 O\n0.722087 0.896817 0.487298 O\n0.241701 0.843496 0.088442 O\n0.777913 0.896817 0.987298 O\n0.249002 0.938184 0.258019 O\n0.250998 0.938184 0.758019 O\n",
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"Cr",
"P",
"C",
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],
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"density_atomic": 0.09386397735298017,
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"formula_full": "Li12 Cr4 P4 C4 O28",
"formula_reduced": "Li3CrPCO7",
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"updated_at": "2021-11-28T01:35:03.853000Z",
"spacegroup": 14
},
{
"id": "mp-753611",
"created_at": "2022-09-04T14:40:28.724921Z",
"structure_string": "P4 Cl12 O4\n1.0\n5.969239 0.000000 0.000000\n0.000000 9.504725 0.000000\n0.000000 0.000000 12.104269\nP Cl O\n4 12 4\ndirect\n0.868040 0.759309 0.179279 P\n0.368040 0.259309 0.320721 P\n0.868040 0.740691 0.679279 P\n0.368040 0.240691 0.820721 P\n0.095583 0.750230 0.057319 Cl\n0.672864 0.923313 0.137213 Cl\n0.674506 0.589492 0.153932 Cl\n0.174506 0.089492 0.346068 Cl\n0.172864 0.423313 0.362787 Cl\n0.595583 0.250230 0.442681 Cl\n0.095583 0.749770 0.557319 Cl\n0.672864 0.576687 0.637213 Cl\n0.674506 0.910508 0.653932 Cl\n0.174506 0.410508 0.846068 Cl\n0.172864 0.076687 0.862787 Cl\n0.595583 0.249770 0.942681 Cl\n0.462976 0.268792 0.208684 O\n0.962976 0.768792 0.291316 O\n0.462976 0.231208 0.708684 O\n0.962976 0.731208 0.791316 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.02912278508077694,
"volume": 686.7475052446612,
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"formula_full": "P4 Cl12 O4",
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"updated_at": "2021-11-28T01:34:53.118000Z",
"spacegroup": 33
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{
"id": "mp-560318",
"created_at": "2022-09-04T14:40:28.741027Z",
"structure_string": "Al8 W12 O48\n1.0\n9.222542 0.000000 0.000000\n0.000000 9.311044 0.000000\n0.000000 0.000000 12.892639\nAl W O\n8 12 48\ndirect\n0.001601 0.217384 0.882418 Al\n0.498259 0.217407 0.619702 Al\n0.501741 0.282593 0.119702 Al\n0.998399 0.282616 0.382418 Al\n0.501741 0.717407 0.880298 Al\n0.001601 0.782616 0.117582 Al\n0.498259 0.782593 0.380298 Al\n0.998399 0.717384 0.617582 Al\n0.145106 0.133022 0.145701 W\n0.642528 0.134622 0.356646 W\n0.854894 0.633022 0.354299 W\n0.223348 0.000000 0.500000 W\n0.642528 0.865378 0.643354 W\n0.145106 0.866978 0.854299 W\n0.776652 0.500000 0.000000 W\n0.854894 0.366978 0.645701 W\n0.357472 0.634622 0.143354 W\n0.274122 0.500000 0.500000 W\n0.725878 0.000000 0.000000 W\n0.357472 0.365378 0.856646 W\n0.336636 0.092670 0.593640 O\n0.564867 0.244688 0.255144 O\n0.436118 0.684739 0.020587 O\n0.435133 0.744688 0.244856 O\n0.158997 0.589416 0.594836 O\n0.107842 0.126838 0.434367 O\n0.393167 0.555070 0.834193 O\n0.563882 0.815261 0.520587 O\n0.841003 0.910584 0.094836 O\n0.383459 0.629242 0.431068 O\n0.563882 0.184739 0.479413 O\n0.163364 0.660372 0.138216 O\n0.338630 0.837381 0.856920 O\n0.892158 0.373162 0.934367 O\n0.060785 0.760511 0.753743 O\n0.939215 0.739489 0.253743 O\n0.435133 0.255312 0.755144 O\n0.663364 0.407330 0.093640 O\n0.888915 0.443198 0.334333 O\n0.606833 0.055070 0.665807 O\n0.068597 0.818472 0.978022 O\n0.841003 0.089416 0.905164 O\n0.836636 0.839628 0.638216 O\n0.892158 0.626838 0.065633 O\n0.661370 0.662619 0.356920 O\n0.888915 0.556802 0.665667 O\n0.163364 0.339628 0.861784 O\n0.393167 0.444930 0.165807 O\n0.931403 0.681528 0.478022 O\n0.111085 0.943198 0.165667 O\n0.564867 0.755312 0.744856 O\n0.836636 0.160372 0.361784 O\n0.107842 0.873162 0.565633 O\n0.939215 0.260511 0.746257 O\n0.931403 0.318472 0.521978 O\n0.158997 0.410584 0.405164 O\n0.436118 0.315261 0.979413 O\n0.111085 0.056802 0.834333 O\n0.661370 0.337381 0.643080 O\n0.060785 0.239489 0.246257 O\n0.616541 0.129242 0.068932 O\n0.068597 0.181528 0.021978 O\n0.336636 0.907330 0.406360 O\n0.338630 0.162619 0.143080 O\n0.616541 0.870758 0.931068 O\n0.383459 0.370758 0.568932 O\n0.606833 0.944930 0.334193 O\n0.663364 0.592670 0.906360 O\n",
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"formula_full": "Al8 W12 O48",
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}