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{
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"results": [
{
"id": "mp-861059",
"created_at": "2022-09-04T14:39:22.791048Z",
"structure_string": "Li8 Mn8 P8 O32\n1.0\n5.178184 0.000000 0.000000\n0.000000 8.891238 0.000000\n0.000000 0.907791 15.624255\nLi Mn P O\n8 8 8 32\ndirect\n0.755679 0.796355 0.002504 Li\n0.732469 0.625344 0.761476 Li\n0.232469 0.374656 0.738524 Li\n0.255679 0.203645 0.497496 Li\n0.744321 0.796355 0.502504 Li\n0.767531 0.625344 0.261476 Li\n0.267531 0.374656 0.238524 Li\n0.244321 0.203645 0.997496 Li\n0.733069 0.421626 0.920539 Mn\n0.260384 0.910613 0.850155 Mn\n0.760384 0.089387 0.649845 Mn\n0.233069 0.578374 0.579461 Mn\n0.766931 0.421626 0.420539 Mn\n0.239616 0.910613 0.350155 Mn\n0.739616 0.089387 0.149845 Mn\n0.266931 0.578374 0.079461 Mn\n0.218842 0.564408 0.887836 P\n0.754742 0.092185 0.871558 P\n0.254742 0.907815 0.628442 P\n0.718842 0.435592 0.612164 P\n0.281158 0.564408 0.387836 P\n0.745258 0.092185 0.371558 P\n0.245258 0.907815 0.128442 P\n0.781158 0.435592 0.112164 P\n0.241401 0.451594 0.968672 O\n0.607679 0.204906 0.926995 O\n0.105811 0.715587 0.912479 O\n0.494519 0.582401 0.850369 O\n0.031138 0.488972 0.824298 O\n0.047838 0.092099 0.895777 O\n0.642715 0.930715 0.890932 O\n0.714888 0.141944 0.775670 O\n0.214888 0.858056 0.724330 O\n0.142715 0.069285 0.609068 O\n0.547838 0.907901 0.604223 O\n0.531138 0.511028 0.675702 O\n0.994519 0.417599 0.649631 O\n0.605811 0.284413 0.587521 O\n0.107679 0.795094 0.573005 O\n0.741401 0.548406 0.531328 O\n0.258599 0.451594 0.468672 O\n0.892321 0.204906 0.426995 O\n0.394189 0.715587 0.412479 O\n0.005481 0.582401 0.350369 O\n0.468862 0.488972 0.324298 O\n0.452162 0.092099 0.395777 O\n0.857285 0.930715 0.390932 O\n0.785112 0.141944 0.275670 O\n0.285112 0.858056 0.224330 O\n0.357285 0.069285 0.109068 O\n0.952162 0.907901 0.104223 O\n0.968862 0.511028 0.175702 O\n0.505481 0.417599 0.149631 O\n0.894189 0.284413 0.087521 O\n0.392321 0.795094 0.073005 O\n0.758599 0.548406 0.031328 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.896581162804434,
"density_atomic": 0.0778482751647603,
"volume": 719.3479865993179,
"volume_molar": 7.73574076914944,
"formula_full": "Li8 Mn8 P8 O32",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -433.0402961900001,
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"updated_at": "2021-11-28T01:34:41.003000Z",
"spacegroup": 14
},
{
"id": "mp-1036911",
"created_at": "2022-09-04T14:39:22.823545Z",
"structure_string": "Mg30 Co1 Bi1 O32\n1.0\n8.608596 0.000000 0.000000\n0.000000 8.608596 0.000000\n0.000000 0.000000 8.602585\nMg Co Bi O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.239064 0.239064 0.000000 Mg\n0.760936 0.239064 0.000000 Mg\n0.239064 0.760936 0.000000 Mg\n0.760936 0.760936 0.000000 Mg\n0.247971 0.247971 0.500000 Mg\n0.752029 0.247971 0.500000 Mg\n0.247971 0.752029 0.500000 Mg\n0.752029 0.752029 0.500000 Mg\n0.245958 0.000000 0.248185 Mg\n0.754042 0.000000 0.248185 Mg\n0.241474 0.500000 0.256763 Mg\n0.758526 0.500000 0.256763 Mg\n0.245958 0.000000 0.751815 Mg\n0.754042 0.000000 0.751815 Mg\n0.241474 0.500000 0.743237 Mg\n0.758526 0.500000 0.743237 Mg\n0.000000 0.245958 0.248185 Mg\n0.500000 0.241474 0.256763 Mg\n0.000000 0.754042 0.248185 Mg\n0.500000 0.758526 0.256763 Mg\n0.000000 0.245958 0.751815 Mg\n0.500000 0.241474 0.743237 Mg\n0.000000 0.754042 0.751815 Mg\n0.500000 0.758526 0.743237 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.262905 O\n0.500000 0.000000 0.254538 O\n0.000000 0.500000 0.254538 O\n0.500000 0.500000 0.267072 O\n0.000000 0.000000 0.737095 O\n0.500000 0.000000 0.745462 O\n0.000000 0.500000 0.745462 O\n0.500000 0.500000 0.732928 O\n0.250668 0.250668 0.249044 O\n0.749332 0.250668 0.249044 O\n0.250668 0.749332 0.249044 O\n0.749332 0.749332 0.249044 O\n0.250668 0.250668 0.750956 O\n0.749332 0.250668 0.750956 O\n0.250668 0.749332 0.750956 O\n0.749332 0.749332 0.750956 O\n0.260407 0.000000 0.000000 O\n0.739593 0.000000 0.000000 O\n0.234262 0.500000 0.000000 O\n0.765738 0.500000 0.000000 O\n0.251555 0.000000 0.500000 O\n0.748445 0.000000 0.500000 O\n0.248218 0.500000 0.500000 O\n0.751782 0.500000 0.500000 O\n0.000000 0.260407 0.000000 O\n0.500000 0.234262 0.000000 O\n0.000000 0.739593 0.000000 O\n0.500000 0.765738 0.000000 O\n0.000000 0.251555 0.500000 O\n0.500000 0.248218 0.500000 O\n0.000000 0.748445 0.500000 O\n0.500000 0.751782 0.500000 O\n",
"nsites": 64,
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"elements": [
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"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-Mg-O",
"density": 3.9305876724552795,
"density_atomic": 0.10038905074350025,
"volume": 637.5197247708184,
"volume_molar": 5.998802374759886,
"formula_full": "Mg30 Co1 Bi1 O32",
"formula_reduced": "Mg30CoBiO32",
"formula_anonymous": "ABC30D32",
"energy": -401.96651194,
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"updated_at": "2021-11-28T01:34:31.608000Z",
"spacegroup": 123
},
{
"id": "mp-1047067",
"created_at": "2022-09-04T14:39:23.141429Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n1.491988 7.827903 0.000000\n-1.491988 7.827903 0.000000\n0.000000 5.973637 7.764503\nZn Fe O\n4 4 8\ndirect\n0.686067 0.686067 0.294710 Zn\n0.313933 0.313933 0.705290 Zn\n0.986511 0.986511 0.392593 Zn\n0.013489 0.013489 0.607407 Zn\n0.373051 0.373051 0.951930 Fe\n0.845197 0.845197 0.322716 Fe\n0.154803 0.154803 0.677284 Fe\n0.626949 0.626949 0.048070 Fe\n0.144322 0.144322 0.901016 O\n0.526626 0.526626 0.746696 O\n0.473374 0.473374 0.253304 O\n0.855678 0.855678 0.098984 O\n0.836077 0.836077 0.842611 O\n0.206670 0.206670 0.422708 O\n0.163923 0.163923 0.157389 O\n0.793330 0.793330 0.577292 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.612586967550337,
"density_atomic": 0.08821969649627327,
"volume": 181.36539384575983,
"volume_molar": 6.826299567075021,
"formula_full": "Zn4 Fe4 O8",
"formula_reduced": "ZnFeO2",
"formula_anonymous": "ABC2",
"energy": -100.88822324,
"energy_per_atom": -6.3055139525,
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"updated_at": "2021-11-28T01:34:43.784000Z",
"spacegroup": 12
},
{
"id": "mp-1177778",
"created_at": "2022-09-04T14:39:22.819854Z",
"structure_string": "Li6 V3 Fe3 P12 O42\n1.0\n7.041178 0.000000 0.000000\n-0.019536 -8.252798 0.000000\n-2.299923 0.001285 -13.861911\nLi V Fe P O\n6 3 3 12 42\ndirect\n0.382307 0.863379 0.058659 Li\n0.951016 0.363375 0.274678 Li\n0.716187 0.862725 0.392007 Li\n0.283802 0.362712 0.607995 Li\n0.049064 0.863454 0.725276 Li\n0.617224 0.362654 0.941281 Li\n0.343640 0.499355 0.072292 V\n0.989733 0.999409 0.261106 V\n0.010151 0.499186 0.738726 V\n0.673268 0.498988 0.405413 Fe\n0.326725 0.999011 0.594633 Fe\n0.660008 0.999294 0.927705 Fe\n0.611214 0.179502 0.133143 P\n0.984554 0.784115 0.070368 P\n0.348796 0.284064 0.262778 P\n0.722129 0.679442 0.200109 P\n0.318962 0.783200 0.404157 P\n0.054973 0.681115 0.533070 P\n0.945038 0.181173 0.466851 P\n0.681022 0.283129 0.595662 P\n0.278856 0.179513 0.800145 P\n0.651392 0.784394 0.737255 P\n0.014612 0.282853 0.929238 P\n0.389207 0.681094 0.866728 P\n0.164096 0.322813 0.017155 O\n0.158447 0.696459 0.043221 O\n0.049587 0.934268 0.132202 O\n0.580151 0.036734 0.062690 O\n0.576991 0.343560 0.082182 O\n0.526994 0.678435 0.132391 O\n0.283945 0.434197 0.201208 O\n0.445090 0.153211 0.198595 O\n0.888064 0.653101 0.134793 O\n0.174733 0.196382 0.290150 O\n0.169394 0.822821 0.316301 O\n0.806390 0.178511 0.200944 O\n0.756412 0.843483 0.251193 O\n0.753011 0.536768 0.270721 O\n0.498094 0.325205 0.350691 O\n0.493792 0.694098 0.377421 O\n0.222137 0.652883 0.468467 O\n0.382874 0.932843 0.466223 O\n0.139667 0.179065 0.534013 O\n0.913175 0.038391 0.395849 O\n0.907667 0.345480 0.415764 O\n0.092440 0.845425 0.584271 O\n0.086653 0.538409 0.604220 O\n0.860353 0.678958 0.465983 O\n0.617335 0.432778 0.533848 O\n0.777690 0.152991 0.531596 O\n0.506020 0.193985 0.622585 O\n0.502047 0.825173 0.649422 O\n0.246699 0.036919 0.729362 O\n0.243319 0.343613 0.748894 O\n0.193864 0.678980 0.799259 O\n0.830567 0.322808 0.683711 O\n0.825156 0.696630 0.709988 O\n0.111008 0.152899 0.864963 O\n0.554685 0.653187 0.801483 O\n0.715039 0.933620 0.799643 O\n0.473290 0.178453 0.867540 O\n0.425393 0.845388 0.917622 O\n0.419856 0.538242 0.937549 O\n0.949462 0.433344 0.867962 O\n0.839317 0.193892 0.956009 O\n0.835209 0.825206 0.982640 O\n",
"nsites": 66,
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"elements": [
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"V",
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"O"
],
"chemical_system": "Fe-Li-O-P-V",
"density": 2.897753381447481,
"density_atomic": 0.08193591176832236,
"volume": 805.5076043654472,
"volume_molar": 7.349818449604716,
"formula_full": "Li6 V3 Fe3 P12 O42",
"formula_reduced": "Li2VFe(P2O7)2",
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"energy": -510.5690539,
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"updated_at": "2021-11-28T01:34:35.201000Z",
"spacegroup": 1
},
{
"id": "mp-648988",
"created_at": "2022-09-04T14:39:22.823815Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n3.978151 -6.890359 0.000000\n3.978151 6.890359 0.000000\n0.000000 0.000000 4.605461\nNa Li C O\n3 3 3 9\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.494889 0.505111 0.500000 Li\n0.010223 0.505111 0.500000 Li\n0.494889 0.989777 0.500000 Li\n0.333333 0.666667 0.500000 C\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.500000 C\n0.486938 0.513062 0.000000 O\n0.178450 0.356901 0.000000 O\n0.905502 0.811005 0.000000 O\n0.026124 0.513062 0.000000 O\n0.905502 0.094498 0.000000 O\n0.486938 0.973876 0.000000 O\n0.178450 0.821550 0.000000 O\n0.643099 0.821550 0.000000 O\n0.188995 0.094498 0.000000 O\n",
"nsites": 18,
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"elements": [
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"Li",
"C",
"O"
],
"chemical_system": "C-Li-Na-O",
"density": 1.7745793358761301,
"density_atomic": 0.07129290093911601,
"volume": 252.47955634982452,
"volume_molar": 8.44704126311664,
"formula_full": "Na3 Li3 C3 O9",
"formula_reduced": "NaLiCO3",
"formula_anonymous": "ABCD3",
"energy": -81.11439726,
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"updated_at": "2021-11-28T01:34:41.841000Z",
"spacegroup": 187
},
{
"id": "mp-26057",
"created_at": "2022-09-04T14:39:22.826121Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.114926 0.000000 0.000000\n0.000000 6.904496 0.000000\n0.000000 0.000000 10.293210\nLi Mn P O\n4 4 4 16\ndirect\n0.687520 0.213294 0.152388 Li\n0.187520 0.713294 0.347612 Li\n0.812480 0.213294 0.652388 Li\n0.312480 0.713294 0.847612 Li\n0.688503 0.712912 0.153205 Mn\n0.188503 0.212912 0.346795 Mn\n0.811497 0.712912 0.653205 Mn\n0.311497 0.212912 0.846795 Mn\n0.814284 0.463240 0.904510 P\n0.314284 0.963240 0.595490 P\n0.685716 0.463240 0.404510 P\n0.185716 0.963240 0.095490 P\n0.255749 0.959695 0.948625 O\n0.115798 0.467338 0.883185 O\n0.693087 0.647657 0.841440 O\n0.704469 0.277688 0.837618 O\n0.744251 0.459695 0.051375 O\n0.884202 0.967338 0.116815 O\n0.306913 0.147657 0.158560 O\n0.295531 0.777688 0.162382 O\n0.795531 0.277688 0.337618 O\n0.806913 0.647657 0.341440 O\n0.384202 0.467338 0.383185 O\n0.244251 0.959695 0.448625 O\n0.755749 0.459695 0.551375 O\n0.615798 0.967338 0.616815 O\n0.193087 0.147657 0.658560 O\n0.204469 0.777688 0.662382 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.07702573670656829,
"volume": 363.5148613594803,
"volume_molar": 7.8183487980666975,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -218.52159118,
"energy_per_atom": -7.804342542142857,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:27.464000Z",
"spacegroup": 33
},
{
"id": "mp-1079124",
"created_at": "2022-09-04T14:39:22.827767Z",
"structure_string": "Be2 B1 O5\n1.0\n2.216531 3.903926 0.000000\n-2.216531 3.903926 0.000000\n0.000000 0.403758 4.867986\nBe B O\n2 1 5\ndirect\n0.328838 0.325352 0.100459 Be\n0.674648 0.671162 0.899541 Be\n0.002736 0.997264 0.000000 B\n0.299619 0.316238 0.440864 O\n0.683762 0.700381 0.559136 O\n0.001419 0.304302 0.003661 O\n0.695698 0.998581 0.996339 O\n0.313280 0.686720 0.000000 O\n",
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"formula_full": "Be2 B1 O5",
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{
"id": "mp-1104149",
"created_at": "2022-09-04T14:39:22.837029Z",
"structure_string": "K2 Pt2 N2 Cl6 O2\n1.0\n2.196690 -9.856661 0.000000\n2.196690 9.856661 0.000000\n0.000000 0.000000 8.306773\nK Pt N Cl O\n2 2 2 6 2\ndirect\n0.041869 0.958131 0.047690 K\n0.958131 0.041869 0.547690 K\n0.336811 0.663189 0.235974 Pt\n0.663189 0.336811 0.735974 Pt\n0.247171 0.752829 0.229619 N\n0.752829 0.247171 0.729619 N\n0.460042 0.539958 0.252212 Cl\n0.539958 0.460042 0.752212 Cl\n0.350238 0.649762 0.958559 Cl\n0.649762 0.350238 0.458559 Cl\n0.339306 0.660694 0.517040 Cl\n0.660694 0.339306 0.017040 Cl\n0.079780 0.920220 0.375406 O\n0.920220 0.079780 0.875406 O\n",
"nsites": 14,
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"elements": [
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"N",
"Cl",
"O"
],
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"density": 3.4210697753663424,
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"volume": 359.7169740048152,
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