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{
"id": "mp-695298",
"created_at": "2022-09-04T14:44:15.366993Z",
"structure_string": "K22 Nb13 In11 P24 O120\n1.0\n9.484528 -0.013158 0.008530\n-0.013153 9.461978 0.010032\n0.028368 0.032382 33.253121\nK Nb In P O\n22 13 11 24 120\ndirect\n0.001220 0.218320 0.156555 K\n0.004582 0.225741 0.490572 K\n0.004770 0.225799 0.823883 K\n0.225709 0.995655 0.407411 K\n0.225940 0.995396 0.740579 K\n0.271455 0.515118 0.240328 K\n0.274025 0.516143 0.573646 K\n0.273978 0.516541 0.907054 K\n0.485708 0.274343 0.323485 K\n0.483735 0.274151 0.656921 K\n0.480484 0.272933 0.989875 K\n0.518093 0.726218 0.156444 K\n0.516425 0.726100 0.490273 K\n0.516114 0.725941 0.823681 K\n0.727053 0.485673 0.073405 K\n0.725984 0.483694 0.406813 K\n0.726006 0.483706 0.740314 K\n0.774077 0.004622 0.573863 K\n0.773965 0.004055 0.906986 K\n0.992507 0.777971 0.322362 K\n0.995266 0.774200 0.657226 K\n0.999339 0.779617 0.991626 K\n0.104691 0.386282 0.008399 Nb\n0.102593 0.385257 0.341221 Nb\n0.104009 0.385935 0.674697 Nb\n0.374399 0.135645 0.173651 Nb\n0.382654 0.889880 0.259716 Nb\n0.386033 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O\n0.751527 0.720348 0.883001 O\n0.756885 0.758498 0.053039 O\n0.758520 0.758132 0.386278 O\n0.759031 0.758070 0.719590 O\n0.753357 0.262702 0.208205 O\n0.756540 0.262966 0.541079 O\n0.756556 0.263120 0.874562 O\n0.757544 0.243995 0.303886 O\n0.758100 0.240952 0.636282 O\n0.756222 0.241777 0.970040 O\n0.780859 0.735767 0.128180 O\n0.783300 0.736190 0.461355 O\n0.783119 0.736327 0.794657 O\n0.782257 0.977386 0.098253 O\n0.786908 0.978112 0.431027 O\n0.786989 0.978397 0.764284 O\n0.813194 0.005597 0.001276 O\n0.816426 0.006285 0.335607 O\n0.815454 0.005933 0.667725 O\n0.963125 0.501220 0.215049 O\n0.965425 0.500605 0.548571 O\n0.965693 0.500626 0.881876 O\n0.975815 0.213948 0.014482 O\n0.978725 0.212668 0.347531 O\n0.978121 0.212640 0.681001 O\n0.993795 0.815654 0.417688 O\n0.991258 0.815116 0.084732 O\n0.993754 0.815850 0.750976 O\n0.996921 0.465027 0.300480 O\n0.996763 0.466662 0.634239 O\n0.996709 0.466079 0.967828 O\n",
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"elements": [
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"formula_full": "K22 Nb13 In11 P24 O120",
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"energy": -1429.56553732,
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"updated_at": "2021-11-28T01:36:26.983000Z",
"spacegroup": 1
},
{
"id": "mp-1523047",
"created_at": "2022-09-04T14:44:15.374003Z",
"structure_string": "Ba2 Eu2 In2 Bi2 O12\n1.0\n6.056806 0.018880 -0.001938\n0.020263 6.054625 0.001129\n-0.002576 0.001832 8.543267\nBa Eu In Bi O\n2 2 2 2 12\ndirect\n0.993454 0.024560 0.250227 Ba\n0.006546 0.975440 0.749773 Ba\n0.504899 0.532449 0.249743 Eu\n0.495101 0.467551 0.750257 Eu\n0.500000 -0.000000 -0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.224767 0.223937 0.960653 O\n0.299223 0.703920 0.540093 O\n0.775233 0.776063 0.039347 O\n0.700777 0.296080 0.459907 O\n0.295023 0.701363 0.959439 O\n0.224814 0.224909 0.539254 O\n0.704977 0.298637 0.040561 O\n0.775186 0.775091 0.460746 O\n0.440451 0.974978 0.250990 O\n0.089463 0.493710 0.249578 O\n0.559549 0.025022 0.749010 O\n0.910537 0.506290 0.750422 O\n",
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{
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"structure_string": "Ba3 Li1 Ti3 O8\n1.0\n5.979328 -0.153104 -0.223944\n-3.122257 5.101714 0.223944\n-0.269802 0.155770 7.134298\nBa Li Ti O\n3 1 3 8\ndirect\n0.970253 0.029747 0.028722 Ba\n0.363060 0.636938 0.637971 Ba\n0.666666 0.333334 0.333316 Ba\n0.166676 0.833324 0.833349 Li\n0.982813 0.017188 0.520868 Ti\n0.350518 0.649483 0.145807 Ti\n0.666663 0.333338 0.833336 Ti\n0.006595 0.512059 0.000025 O\n0.166670 0.333338 0.333331 O\n0.487940 0.993404 0.000026 O\n0.666661 0.833330 0.333331 O\n0.326740 0.154598 0.666646 O\n0.498472 0.501526 0.998174 O\n0.845402 0.673262 0.666645 O\n0.834869 0.165134 0.668489 O\n",
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{
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"structure_string": "Na16 Sc8 Si8 O40\n1.0\n5.372694 0.000000 0.000000\n0.000000 12.203539 0.000000\n0.000000 0.000000 13.724702\nNa Sc Si O\n16 8 8 40\ndirect\n0.971342 0.070303 0.513428 Na\n0.028658 0.570303 0.486572 Na\n0.971342 0.570303 0.986572 Na\n0.028658 0.070303 0.013428 Na\n0.521405 0.249623 0.735424 Na\n0.478595 0.749623 0.264576 Na\n0.521405 0.749623 0.764576 Na\n0.478595 0.249623 0.235424 Na\n0.981697 0.342864 0.853721 Na\n0.018303 0.842864 0.146279 Na\n0.981697 0.842864 0.646279 Na\n0.018303 0.342864 0.353721 Na\n0.530189 0.479129 0.602305 Na\n0.469811 0.979129 0.397695 Na\n0.530189 0.979129 0.897695 Na\n0.469811 0.479129 0.102305 Na\n0.985082 0.090903 0.778088 Sc\n0.014918 0.590903 0.221912 Sc\n0.985082 0.590903 0.721912 Sc\n0.014918 0.090903 0.278088 Sc\n0.489753 0.231453 0.970750 Sc\n0.510247 0.731453 0.029250 Sc\n0.489753 0.731453 0.529250 Sc\n0.510247 0.231453 0.470750 Sc\n0.462020 0.002949 0.639358 Si\n0.537980 0.502949 0.360642 Si\n0.462020 0.502949 0.860642 Si\n0.537980 0.002949 0.139358 Si\n0.962876 0.319376 0.110081 Si\n0.037124 0.819376 0.889919 Si\n0.962876 0.819376 0.389919 Si\n0.037124 0.319376 0.610081 Si\n0.539041 0.076582 0.544123 O\n0.460959 0.576582 0.455877 O\n0.539041 0.576582 0.955877 O\n0.460959 0.076582 0.044123 O\n0.621802 0.045143 0.735821 O\n0.378198 0.545143 0.264179 O\n0.621802 0.545143 0.764179 O\n0.378198 0.045143 0.235821 O\n0.529045 0.872936 0.622650 O\n0.470955 0.372936 0.377350 O\n0.529045 0.372936 0.877350 O\n0.470955 0.872936 0.122650 O\n0.161843 0.016286 0.661669 O\n0.838157 0.516286 0.338331 O\n0.161843 0.516286 0.838331 O\n0.838157 0.016286 0.161669 O\n0.128070 0.282565 0.012679 O\n0.871930 0.782565 0.987321 O\n0.128070 0.782565 0.487321 O\n0.871930 0.282565 0.512679 O\n0.020155 0.449770 0.127871 O\n0.979845 0.949770 0.872129 O\n0.020155 0.949770 0.372129 O\n0.979845 0.449770 0.627871 O\n0.042817 0.244879 0.204334 O\n0.957183 0.744879 0.795666 O\n0.042817 0.744879 0.295666 O\n0.957183 0.244879 0.704334 O\n0.663177 0.304622 0.088285 O\n0.336823 0.804622 0.911715 O\n0.663177 0.804622 0.411715 O\n0.336823 0.304622 0.588285 O\n0.297315 0.150524 0.854449 O\n0.702685 0.650524 0.145551 O\n0.297315 0.650524 0.645551 O\n0.702685 0.150524 0.354449 O\n0.801862 0.169351 0.896919 O\n0.198138 0.669351 0.103081 O\n0.801862 0.669351 0.603081 O\n0.198138 0.169351 0.396919 O\n",
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{
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{
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