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{
"id": "mp-1183382",
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{
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"formula_full": "Ca3 Cd3 N12 O36",
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{
"id": "mp-686043",
"created_at": "2022-09-04T14:45:16.386175Z",
"structure_string": "Gd6 Nb2 O14\n1.0\n5.539628 0.000000 0.000000\n0.000000 7.653514 0.000000\n0.000000 3.441948 7.571653\nGd Nb O\n6 2 14\ndirect\n0.006214 0.000984 0.006830 Gd\n0.993786 0.500984 0.006830 Gd\n0.541374 0.092206 0.246469 Gd\n0.458626 0.592206 0.246469 Gd\n0.533407 0.403847 0.763635 Gd\n0.466593 0.903847 0.763635 Gd\n0.991126 0.738560 0.507120 Nb\n0.008874 0.238560 0.507120 Nb\n0.783021 0.250144 0.002713 O\n0.191322 0.851750 0.299090 O\n0.743308 0.566078 0.505075 O\n0.216979 0.750144 0.002713 O\n0.334871 0.357116 0.139649 O\n0.309122 0.149390 0.826499 O\n0.808678 0.351750 0.299090 O\n0.793771 0.951248 0.488843 O\n0.256692 0.066078 0.505075 O\n0.198143 0.643664 0.710348 O\n0.690878 0.649390 0.826499 O\n0.665129 0.857116 0.139649 O\n0.206229 0.451248 0.488843 O\n0.801857 0.143664 0.710348 O\n",
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"energy": -252.78738249,
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{
"id": "mp-779757",
"created_at": "2022-09-04T14:45:16.388587Z",
"structure_string": "Li4 Ni16 P24 O84\n1.0\n-7.605010 0.000000 0.016343\n-0.021084 0.000000 9.574883\n0.000000 22.007783 0.000000\nLi Ni P O\n4 16 24 84\ndirect\n0.971210 0.779001 0.613749 Li\n0.528788 0.720996 0.113749 Li\n0.471210 0.279001 0.886251 Li\n0.028788 0.220996 0.386251 Li\n0.930277 0.777480 0.255438 Ni\n0.569723 0.722520 0.755438 Ni\n0.430277 0.277480 0.244562 Ni\n0.069723 0.222520 0.744562 Ni\n0.959115 0.708761 0.760564 Ni\n0.955240 0.266549 0.507152 Ni\n0.544760 0.233451 0.007152 Ni\n0.540885 0.791239 0.260564 Ni\n0.459115 0.208761 0.739436 Ni\n0.455240 0.766549 0.992848 Ni\n0.044760 0.733451 0.492848 Ni\n0.040885 0.291239 0.239436 Ni\n0.935338 0.241678 0.993430 Ni\n0.564662 0.258322 0.493430 Ni\n0.435338 0.741678 0.506570 Ni\n0.064662 0.758322 0.006570 Ni\n0.765545 0.994895 0.686429 P\n0.763555 0.833672 0.887964 P\n0.766508 0.158773 0.855988 P\n0.761816 0.444345 0.699546 P\n0.746026 0.970688 0.546593 P\n0.746237 0.531250 0.561441 P\n0.753763 0.968750 0.061441 P\n0.753974 0.529312 0.046593 P\n0.738184 0.055655 0.199546 P\n0.733492 0.341227 0.355988 P\n0.736445 0.666328 0.387964 P\n0.734455 0.505105 0.186429 P\n0.265545 0.494895 0.813571 P\n0.263555 0.333672 0.612036 P\n0.266508 0.658773 0.644012 P\n0.261816 0.944345 0.800454 P\n0.246026 0.470688 0.953407 P\n0.246237 0.031250 0.938559 P\n0.253763 0.468750 0.438559 P\n0.253974 0.029312 0.453407 P\n0.238184 0.555655 0.300454 P\n0.233492 0.841227 0.144012 P\n0.236445 0.166328 0.112036 P\n0.234455 0.005105 0.313571 P\n0.934414 0.592957 0.040454 O\n0.937938 0.374597 0.707574 O\n0.920126 0.791657 0.927152 O\n0.907277 0.626272 0.557136 O\n0.931917 0.205585 0.823111 O\n0.927441 0.076552 0.704094 O\n0.927699 0.894010 0.052995 O\n0.906313 0.321112 0.320671 O\n0.913839 0.679182 0.419042 O\n0.908276 0.428584 0.187298 O\n0.901794 0.132301 0.217456 O\n0.893265 0.896020 0.512565 O\n0.809465 0.945330 0.616701 O\n0.789493 0.994675 0.869060 O\n0.765824 0.746433 0.829116 O\n0.758485 0.027202 0.128620 O\n0.756025 0.260189 0.416498 O\n0.761950 0.852758 0.718998 O\n0.762289 0.586702 0.732205 O\n0.750215 0.371131 0.034722 O\n0.740701 0.097008 0.019755 O\n0.759299 0.402992 0.519755 O\n0.749785 0.128869 0.534722 O\n0.737711 0.913298 0.232205 O\n0.738050 0.647242 0.218998 O\n0.743975 0.239811 0.916498 O\n0.741515 0.472798 0.628620 O\n0.734176 0.753567 0.329116 O\n0.710507 0.505325 0.369060 O\n0.690535 0.554670 0.116701 O\n0.606735 0.603980 0.012565 O\n0.598206 0.367699 0.717456 O\n0.591724 0.071416 0.687298 O\n0.586161 0.820818 0.919042 O\n0.593687 0.178888 0.820671 O\n0.572301 0.605990 0.552995 O\n0.572559 0.423448 0.204094 O\n0.568083 0.294415 0.323111 O\n0.592723 0.873728 0.057136 O\n0.579874 0.708343 0.427152 O\n0.562062 0.125403 0.207574 O\n0.565586 0.907043 0.540454 O\n0.434414 0.092957 0.459546 O\n0.437938 0.874597 0.792426 O\n0.420126 0.291657 0.572848 O\n0.407277 0.126272 0.942864 O\n0.431917 0.705585 0.676889 O\n0.427441 0.576552 0.795906 O\n0.427699 0.394010 0.447005 O\n0.406313 0.821112 0.179329 O\n0.413839 0.179182 0.080958 O\n0.408276 0.928584 0.312702 O\n0.401794 0.632301 0.282544 O\n0.393265 0.396020 0.987435 O\n0.309465 0.445330 0.883299 O\n0.289494 0.494675 0.630940 O\n0.265824 0.246433 0.670884 O\n0.258485 0.527202 0.371380 O\n0.256025 0.760189 0.083502 O\n0.261950 0.352758 0.781002 O\n0.262289 0.086702 0.767795 O\n0.250215 0.871131 0.465278 O\n0.240701 0.597008 0.480245 O\n0.259299 0.902992 0.980245 O\n0.249785 0.628869 0.965278 O\n0.237711 0.413298 0.267795 O\n0.238050 0.147242 0.281002 O\n0.243975 0.739811 0.583502 O\n0.241515 0.972798 0.871380 O\n0.234176 0.253567 0.170884 O\n0.210507 0.005325 0.130940 O\n0.190535 0.054670 0.383299 O\n0.106735 0.103980 0.487435 O\n0.098206 0.867699 0.782544 O\n0.091724 0.571416 0.812702 O\n0.086161 0.320818 0.580958 O\n0.093687 0.678888 0.679329 O\n0.072301 0.105990 0.947005 O\n0.072559 0.923448 0.295906 O\n0.068083 0.794415 0.176889 O\n0.092723 0.373728 0.442864 O\n0.079874 0.208343 0.072848 O\n0.062062 0.625403 0.292426 O\n0.065586 0.407043 0.959546 O\n",
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"formula_full": "Li4 Ni16 P24 O84",
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"spacegroup": 14
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{
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"structure_string": "Eu2 Ti1 O4\n1.0\n-1.958922 1.958922 6.216644\n1.958922 -1.958922 6.216644\n1.958922 1.958922 -6.216644\nEu Ti O\n2 1 4\ndirect\n0.355417 0.355417 0.000000 Eu\n0.644583 0.644583 0.000000 Eu\n0.000000 0.000000 0.000000 Ti\n0.163509 0.163509 0.000000 O\n0.836491 0.836491 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Al8 P8 N4 O44\n1.0\n9.683078 0.000000 0.000000\n0.000000 9.613696 0.000000\n0.000000 5.802239 9.833886\nAl P N O\n8 8 4 44\ndirect\n0.787836 0.265311 0.910533 Al\n0.712164 0.265311 0.410533 Al\n0.212164 0.734689 0.089467 Al\n0.287836 0.734689 0.589467 Al\n0.987212 0.021344 0.867974 Al\n0.512788 0.021344 0.367974 Al\n0.012788 0.978656 0.132026 Al\n0.487212 0.978656 0.632026 Al\n0.210884 0.853822 0.785132 P\n0.289116 0.853822 0.285132 P\n0.789116 0.146178 0.214868 P\n0.710884 0.146178 0.714868 P\n0.047853 0.392126 0.745116 P\n0.452147 0.392126 0.245116 P\n0.952147 0.607874 0.254884 P\n0.547853 0.607874 0.754884 P\n0.251408 0.361467 0.982425 N\n0.248592 0.361467 0.482425 N\n0.748592 0.638533 0.017575 N\n0.751408 0.638533 0.517575 N\n0.058118 0.234204 0.748318 O\n0.441882 0.234204 0.248318 O\n0.941882 0.765796 0.251682 O\n0.558118 0.765796 0.751682 O\n0.920757 0.424341 0.805002 O\n0.579243 0.424341 0.305002 O\n0.079243 0.575659 0.194998 O\n0.420757 0.575659 0.694998 O\n0.070787 0.930675 0.779551 O\n0.429213 0.930675 0.279551 O\n0.929213 0.069325 0.220449 O\n0.570787 0.069325 0.720449 O\n0.905120 0.093347 0.977623 O\n0.594880 0.093347 0.477623 O\n0.094880 0.906653 0.022377 O\n0.405120 0.906653 0.522377 O\n0.519022 0.124723 0.002808 O\n0.980978 0.124723 0.502808 O\n0.480978 0.875277 0.997192 O\n0.019022 0.875277 0.497192 O\n0.159195 0.299806 0.960847 O\n0.340805 0.299806 0.460847 O\n0.840805 0.700194 0.039153 O\n0.659194 0.700194 0.539153 O\n0.143926 0.523363 0.659577 O\n0.356074 0.523363 0.159577 O\n0.856074 0.476637 0.340423 O\n0.643926 0.476637 0.840423 O\n0.198024 0.746721 0.719918 O\n0.301976 0.746721 0.219918 O\n0.801976 0.253279 0.280082 O\n0.698024 0.253279 0.780082 O\n0.253148 0.739710 0.936243 O\n0.246852 0.739710 0.436243 O\n0.746852 0.260290 0.063757 O\n0.753148 0.260290 0.563757 O\n0.322502 0.982975 0.708718 O\n0.177498 0.982975 0.208718 O\n0.677498 0.017025 0.291282 O\n0.822502 0.017025 0.791282 O\n0.076083 0.118011 0.434206 O\n0.423917 0.118011 0.934206 O\n0.923917 0.881989 0.565794 O\n0.576083 0.881989 0.065794 O\n",
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},
{
"id": "mp-757201",
"created_at": "2022-09-04T14:45:16.398810Z",
"structure_string": "Li4 Fe3 O8\n1.0\n5.108603 -2.782416 0.000000\n5.108603 2.782416 0.000000\n3.593152 0.000000 4.574814\nLi Fe O\n4 3 8\ndirect\n0.999099 0.999099 0.999099 Li\n0.499132 0.001962 0.001962 Li\n0.001962 0.499132 0.001962 Li\n0.001962 0.001962 0.499132 Li\n0.987894 0.507060 0.507060 Fe\n0.507060 0.987894 0.507060 Fe\n0.507060 0.507060 0.987894 Fe\n0.747212 0.747212 0.747212 O\n0.722424 0.242360 0.242360 O\n0.242360 0.722424 0.242360 O\n0.262231 0.262231 0.262231 O\n0.242360 0.242360 0.722424 O\n0.272244 0.752977 0.752977 O\n0.752977 0.272244 0.752977 O\n0.752977 0.752977 0.272244 O\n",
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