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{
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{
"id": "mp-777877",
"created_at": "2022-09-04T14:44:29.814124Z",
"structure_string": "Li2 Cr2 P6 O18\n1.0\n6.571354 -0.226590 0.193914\n0.484522 7.336734 0.102607\n-0.622204 -1.068716 6.820427\nLi Cr P O\n2 2 6 18\ndirect\n0.141119 0.172377 0.447613 Li\n0.858878 0.827607 0.552389 Li\n0.163945 0.141252 0.921222 Cr\n0.836021 0.858785 0.078666 Cr\n0.143728 0.547552 0.772036 P\n0.327580 0.773858 0.116099 P\n0.356163 0.796093 0.554712 P\n0.643840 0.203896 0.445302 P\n0.672409 0.226157 0.883913 P\n0.856283 0.452458 0.227982 P\n0.045726 0.335298 0.237103 O\n0.129552 0.339864 0.729852 O\n0.156599 0.919196 0.094327 O\n0.181710 0.930988 0.603422 O\n0.253707 0.584380 0.989517 O\n0.313106 0.603990 0.635897 O\n0.330332 0.712199 0.323908 O\n0.429658 0.154812 0.391182 O\n0.469527 0.180126 0.944237 O\n0.530476 0.819855 0.055771 O\n0.570342 0.845177 0.608860 O\n0.669682 0.287805 0.676104 O\n0.686900 0.396000 0.364114 O\n0.746304 0.415608 0.010492 O\n0.818288 0.068993 0.396591 O\n0.843407 0.080822 0.905645 O\n0.870446 0.660151 0.270119 O\n0.954271 0.664701 0.762925 O\n",
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"spacegroup": 2
},
{
"id": "mp-764346",
"created_at": "2022-09-04T14:47:07.584511Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n5.057749 0.000000 0.000000\n0.000000 6.295766 0.000000\n0.000000 0.000000 11.010636\nLi Fe Si O\n8 4 4 16\ndirect\n0.264865 0.749075 0.923253 Li\n0.763905 0.503293 0.841078 Li\n0.263905 0.003293 0.658922 Li\n0.764865 0.249075 0.576747 Li\n0.264865 0.750925 0.423253 Li\n0.763905 0.996707 0.341078 Li\n0.263905 0.496707 0.158922 Li\n0.764865 0.250925 0.076747 Li\n0.262667 0.489826 0.667048 Fe\n0.262667 0.010174 0.167048 Fe\n0.762667 0.989826 0.832952 Fe\n0.762667 0.510174 0.332952 Fe\n0.257965 0.251255 0.912404 Si\n0.757965 0.751255 0.587596 Si\n0.257965 0.248745 0.412404 Si\n0.757965 0.748745 0.087596 Si\n0.867878 0.753410 0.946078 O\n0.931600 0.250875 0.912309 O\n0.363740 0.470530 0.844223 O\n0.357754 0.036056 0.837757 O\n0.863740 0.970530 0.655777 O\n0.857754 0.536056 0.662243 O\n0.431600 0.750875 0.587691 O\n0.367878 0.253410 0.553922 O\n0.867878 0.746590 0.446078 O\n0.931600 0.249125 0.412309 O\n0.363740 0.029470 0.344223 O\n0.357754 0.463944 0.337757 O\n0.863740 0.529470 0.155777 O\n0.857754 0.963944 0.162243 O\n0.431600 0.749125 0.087691 O\n0.367878 0.246590 0.053922 O\n",
"nsites": 32,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0654656835293603,
"density_atomic": 0.09127077158987248,
"volume": 350.6051219090467,
"volume_molar": 6.598104360353873,
"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy": -231.86981158,
"energy_per_atom": -7.245931611875,
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"updated_at": "2021-11-28T01:37:54.994000Z",
"spacegroup": 33
},
{
"id": "mp-568134",
"created_at": "2022-09-04T14:43:03.564272Z",
"structure_string": "Cs8 Cd4 I16\n1.0\n8.747632 0.000000 0.000000\n0.000000 11.099889 0.000000\n0.000000 0.000000 15.404841\nCs Cd I\n8 4 16\ndirect\n0.250000 0.483799 0.167590 Cs\n0.250000 0.617561 0.601298 Cs\n0.750000 0.382439 0.398702 Cs\n0.250000 0.117561 0.898702 Cs\n0.250000 0.983799 0.332410 Cs\n0.750000 0.516201 0.832410 Cs\n0.750000 0.882439 0.101298 Cs\n0.750000 0.016201 0.667590 Cs\n0.250000 0.724768 0.921160 Cd\n0.250000 0.224768 0.578840 Cd\n0.750000 0.275232 0.078840 Cd\n0.750000 0.775232 0.421160 Cd\n0.010946 0.179853 0.161008 I\n0.510946 0.320147 0.661008 I\n0.750000 0.176668 0.909500 I\n0.250000 0.472033 0.912081 I\n0.489054 0.679853 0.338992 I\n0.250000 0.823332 0.090500 I\n0.510946 0.820147 0.838992 I\n0.750000 0.676668 0.590500 I\n0.750000 0.027967 0.412081 I\n0.750000 0.527967 0.087919 I\n0.489054 0.179853 0.161008 I\n0.989054 0.320147 0.661008 I\n0.250000 0.323332 0.409500 I\n0.989054 0.820147 0.838992 I\n0.250000 0.972033 0.587919 I\n0.010946 0.679853 0.338992 I\n",
"nsites": 28,
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"elements": [
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"Cd",
"I"
],
"chemical_system": "Cd-Cs-I",
"density": 3.9336698683931126,
"density_atomic": 0.018719389063991503,
"volume": 1495.7753110575934,
"volume_molar": 32.17060524472005,
"formula_full": "Cs8 Cd4 I16",
"formula_reduced": "Cs2CdI4",
"formula_anonymous": "AB2C4",
"energy": -74.00946914,
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"updated_at": "2021-11-28T01:35:55.741000Z",
"spacegroup": 62
},
{
"id": "mp-1518304",
"created_at": "2022-09-04T14:44:23.578132Z",
"structure_string": "Ba1 Sr1 Dy1 Nb1 O6\n1.0\n0.000000 -4.251141 -4.251141\n4.251141 0.000000 -4.251141\n4.251141 -4.251141 -0.000000\nBa Sr Dy Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.737317 0.262683 0.262683 O\n0.262683 0.737317 0.737317 O\n0.737317 0.262683 0.737317 O\n0.262683 0.737317 0.262683 O\n0.737317 0.737317 0.262683 O\n0.262683 0.262683 0.737317 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ba-Dy-Nb-O-Sr",
"density": 6.228575088258893,
"density_atomic": 0.06508088877675447,
"volume": 153.65493907593637,
"volume_molar": 9.253316715845132,
"formula_full": "Ba1 Sr1 Dy1 Nb1 O6",
"formula_reduced": "BaSrDyNbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.32254553000001,
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"updated_at": "2021-11-28T01:36:37.644000Z",
"spacegroup": 216
},
{
"id": "mp-1221016",
"created_at": "2022-09-04T14:41:56.548441Z",
"structure_string": "Na2 V6 Pb8 O24\n1.0\n5.144168 -8.909961 0.000000\n5.144168 8.909961 0.000000\n0.000000 0.000000 7.412865\nNa V Pb O\n2 6 8 24\ndirect\n0.333333 0.666667 0.009103 Na\n0.666667 0.333333 0.509103 Na\n0.603639 0.623295 0.751253 V\n0.019656 0.396361 0.751253 V\n0.376705 0.980344 0.751253 V\n0.396361 0.376705 0.251253 V\n0.980344 0.603639 0.251253 V\n0.623295 0.019656 0.251253 V\n0.005119 0.747066 0.749352 Pb\n0.741947 0.994881 0.749352 Pb\n0.252934 0.258053 0.749352 Pb\n0.994881 0.252934 0.249352 Pb\n0.258053 0.005119 0.249352 Pb\n0.747066 0.741947 0.249352 Pb\n0.666667 0.333333 0.978919 Pb\n0.333333 0.666667 0.478919 Pb\n0.258477 0.914939 0.564680 O\n0.656462 0.741523 0.564680 O\n0.085061 0.343538 0.564680 O\n0.741523 0.085061 0.064680 O\n0.343538 0.258477 0.064680 O\n0.914939 0.656462 0.064680 O\n0.743699 0.082911 0.435204 O\n0.339212 0.256301 0.435204 O\n0.917089 0.660788 0.435204 O\n0.256301 0.917089 0.935204 O\n0.660788 0.743699 0.935204 O\n0.082911 0.339212 0.935204 O\n0.104097 0.594244 0.751363 O\n0.490147 0.895903 0.751363 O\n0.405756 0.509853 0.751363 O\n0.895903 0.405756 0.251363 O\n0.509853 0.104097 0.251363 O\n0.594244 0.490147 0.251363 O\n0.692604 0.516693 0.752080 O\n0.824089 0.307396 0.752080 O\n0.483307 0.175911 0.752080 O\n0.307396 0.483307 0.252080 O\n0.175911 0.692604 0.252080 O\n0.516693 0.824089 0.252080 O\n",
"nsites": 40,
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"elements": [
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],
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"density_atomic": 0.05886443204778584,
"volume": 679.5274940821345,
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"formula_full": "Na2 V6 Pb8 O24",
"formula_reduced": "NaV3(PbO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -290.1155926,
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"updated_at": "2021-11-28T01:35:34.743000Z",
"spacegroup": 173
},
{
"id": "mp-757630",
"created_at": "2022-09-04T14:40:01.480097Z",
"structure_string": "Li12 Co12 P12 O48\n1.0\n7.962336 0.000000 0.000000\n0.000000 8.666115 0.000000\n0.000000 8.554666 15.016367\nLi Co P O\n12 12 12 48\ndirect\n0.031705 0.709447 0.060272 Li\n0.952808 0.373027 0.407464 Li\n0.168011 0.997606 0.750104 Li\n0.668011 0.002394 0.749896 Li\n0.452808 0.626973 0.092536 Li\n0.531705 0.290553 0.439728 Li\n0.468295 0.709447 0.560272 Li\n0.547192 0.373027 0.907464 Li\n0.331989 0.997606 0.250104 Li\n0.831989 0.002394 0.249896 Li\n0.047192 0.626973 0.592536 Li\n0.968295 0.290553 0.939728 Li\n0.727488 0.363981 0.594906 Co\n0.783716 0.690372 0.227135 Co\n0.719601 0.961101 0.927920 Co\n0.219601 0.038899 0.572080 Co\n0.283716 0.309628 0.272865 Co\n0.227488 0.636019 0.905094 Co\n0.772512 0.363981 0.094906 Co\n0.716284 0.690372 0.727135 Co\n0.780399 0.961101 0.427920 Co\n0.280399 0.038899 0.072080 Co\n0.216284 0.309628 0.772865 Co\n0.272512 0.636019 0.405094 Co\n0.328848 0.354700 0.590874 P\n0.172436 0.681921 0.226029 P\n0.327157 0.956272 0.927634 P\n0.827157 0.043728 0.572366 P\n0.672436 0.318079 0.273971 P\n0.828848 0.645300 0.909126 P\n0.171152 0.354700 0.090874 P\n0.327564 0.681921 0.726029 P\n0.172843 0.956272 0.427634 P\n0.672843 0.043728 0.072366 P\n0.827564 0.318079 0.773971 P\n0.671152 0.645300 0.409126 P\n0.505533 0.570568 0.393466 O\n0.133167 0.577348 0.327943 O\n0.213252 0.906560 0.010216 O\n0.639849 0.841077 0.125164 O\n0.788939 0.484917 0.466501 O\n0.006378 0.730644 0.171687 O\n0.241719 0.231785 0.681601 O\n0.732390 0.143525 0.797468 O\n0.495061 0.852613 0.961871 O\n0.364748 0.246009 0.542672 O\n0.782176 0.429621 0.302034 O\n0.737055 0.105675 0.632172 O\n0.282176 0.570379 0.197966 O\n0.237055 0.894325 0.867828 O\n0.864748 0.753991 0.957328 O\n0.995061 0.147387 0.538129 O\n0.232390 0.856475 0.702532 O\n0.506378 0.269356 0.328313 O\n0.741719 0.768215 0.818399 O\n0.288939 0.515083 0.033499 O\n0.139849 0.158923 0.374836 O\n0.713252 0.093440 0.489784 O\n0.633167 0.422652 0.172057 O\n0.005533 0.429432 0.106534 O\n0.994467 0.570568 0.893466 O\n0.366833 0.577348 0.827943 O\n0.286748 0.906560 0.510216 O\n0.860151 0.841077 0.625164 O\n0.711061 0.484917 0.966501 O\n0.258281 0.231785 0.181601 O\n0.493622 0.730644 0.671687 O\n0.767610 0.143525 0.297468 O\n0.004939 0.852613 0.461871 O\n0.135252 0.246009 0.042672 O\n0.762945 0.105675 0.132172 O\n0.717824 0.429621 0.802034 O\n0.262945 0.894325 0.367828 O\n0.217824 0.570379 0.697966 O\n0.635252 0.753991 0.457328 O\n0.504939 0.147387 0.038129 O\n0.267610 0.856475 0.202532 O\n0.758281 0.768215 0.318399 O\n0.993622 0.269356 0.828313 O\n0.211061 0.515083 0.533499 O\n0.360151 0.158923 0.874836 O\n0.786748 0.093440 0.989784 O\n0.866833 0.422652 0.672057 O\n0.494467 0.429432 0.606534 O\n",
"nsites": 84,
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"elements": [
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"volume": 1036.1671559053502,
"volume_molar": 7.428505313989148,
"formula_full": "Li12 Co12 P12 O48",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
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{
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"structure_string": "Li2 Cr3 P4 O14\n1.0\n6.092048 0.000000 0.000000\n2.087781 6.312185 0.000000\n1.610395 1.466397 7.139897\nLi Cr P O\n2 3 4 14\ndirect\n0.614669 0.026936 0.699546 Li\n0.385331 0.973064 0.300454 Li\n0.780549 0.511534 0.669735 Cr\n0.219451 0.488466 0.330265 Cr\n0.000000 0.000000 0.000000 Cr\n0.174599 0.746421 0.667445 P\n0.353823 0.320587 0.925983 P\n0.646177 0.679413 0.074017 P\n0.825401 0.253579 0.332555 P\n0.343884 0.290131 0.137192 O\n0.594358 0.219156 0.439305 O\n0.938003 0.356026 0.443674 O\n0.061997 0.643974 0.556326 O\n0.241078 0.173141 0.871368 O\n0.758922 0.826859 0.128632 O\n0.998214 0.940551 0.737732 O\n0.001786 0.059449 0.262268 O\n0.396688 0.711395 0.182724 O\n0.656116 0.709869 0.862808 O\n0.405642 0.780844 0.560695 O\n0.603312 0.288605 0.817276 O\n0.787207 0.429147 0.136060 O\n0.212793 0.570853 0.863940 O\n",
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},
{
"id": "mp-756077",
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"structure_string": "V4 O4 F12\n1.0\n5.343035 0.000000 0.000000\n0.129588 5.559556 0.000000\n0.380407 0.197165 9.625193\nV O F\n4 4 12\ndirect\n0.478944 0.781318 0.773400 V\n0.035702 0.533971 0.527218 V\n0.543086 0.263090 0.276460 V\n0.021055 0.035584 0.020327 V\n0.284007 0.949041 0.871531 O\n0.211364 0.695071 0.625353 O\n0.781061 0.293531 0.371192 O\n0.196477 0.192786 0.113012 O\n0.401443 0.994333 0.339109 F\n0.763915 0.789964 0.865520 F\n0.930560 0.742252 0.399320 F\n0.056138 0.735459 0.082879 F\n0.734520 0.538810 0.620575 F\n0.563969 0.502328 0.151959 F\n0.414595 0.484632 0.830698 F\n0.297308 0.450422 0.377286 F\n0.889472 0.241289 0.898527 F\n0.099391 0.234378 0.583581 F\n0.711343 0.058714 0.131021 F\n0.585647 0.983029 0.641034 F\n",
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"elements": [
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