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{
"id": "mp-772719",
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"structure_string": "Li12 V6 P16 O58\n1.0\n9.806084 0.000000 0.000000\n4.882260 8.518583 0.000000\n0.006902 0.002096 13.925008\nLi V P O\n12 6 16 58\ndirect\n0.229224 0.094289 0.560435 Li\n0.093305 0.678613 0.558718 Li\n0.330690 0.327717 0.885894 Li\n0.235516 0.672605 0.063588 Li\n0.670849 0.096971 0.063691 Li\n0.323565 0.772353 0.438587 Li\n0.679644 0.228190 0.558308 Li\n0.768782 0.334734 0.943456 Li\n0.905155 0.325368 0.435527 Li\n0.771225 0.905381 0.438072 Li\n0.900299 0.764249 0.940901 Li\n0.040509 0.017112 0.000080 Li\n0.432689 0.567871 0.250372 V\n0.566344 0.435503 0.751346 V\n0.430071 0.997066 0.753464 V\n0.564934 0.998918 0.248899 V\n0.003327 0.428626 0.245382 V\n0.995923 0.568459 0.748031 V\n0.087424 0.224678 0.841527 P\n0.231987 0.086450 0.342020 P\n0.086860 0.679900 0.341835 P\n0.333912 0.334354 0.126541 P\n0.333712 0.333427 0.628321 P\n0.224884 0.683452 0.843359 P\n0.318843 0.768007 0.658613 P\n0.684664 0.088822 0.844206 P\n0.310253 0.914294 0.156665 P\n0.679201 0.231552 0.341278 P\n0.771689 0.315952 0.158254 P\n0.669284 0.664896 0.371199 P\n0.665007 0.667848 0.872973 P\n0.913709 0.316815 0.655344 P\n0.765552 0.914908 0.658388 P\n0.912478 0.771411 0.158223 P\n0.002359 0.246869 0.563813 O\n0.084842 0.250913 0.341168 O\n0.211035 0.994696 0.072216 O\n0.257231 0.084141 0.839257 O\n0.099073 0.375696 0.832673 O\n0.192986 0.324686 0.169617 O\n0.094422 0.522392 0.323399 O\n0.998806 0.773542 0.068477 O\n0.077332 0.661680 0.837676 O\n0.327332 0.187676 0.668812 O\n0.381704 0.097723 0.322451 O\n0.185681 0.487656 0.667350 O\n0.335351 0.337659 0.018089 O\n0.341026 0.334255 0.521307 O\n0.323286 0.490047 0.165014 O\n0.519662 0.108020 0.830472 O\n0.489911 0.189183 0.163968 O\n0.252280 0.662910 0.343145 O\n0.208412 0.788564 0.750785 O\n0.240395 0.756942 0.568322 O\n0.218360 0.767149 0.934252 O\n0.372644 0.518810 0.830994 O\n0.485194 0.331328 0.673445 O\n0.339613 0.742453 0.163111 O\n0.519905 0.380501 0.322254 O\n0.662169 0.083723 0.342323 O\n0.210472 0.993613 0.254582 O\n0.246753 0.999070 0.434033 O\n0.755026 0.003468 0.567881 O\n0.331082 0.919028 0.659570 O\n0.479225 0.621115 0.675012 O\n0.669826 0.252308 0.845225 O\n0.513152 0.673632 0.332393 O\n0.618958 0.471132 0.169709 O\n0.776690 0.225499 0.068642 O\n0.756118 0.245788 0.431399 O\n0.791351 0.206953 0.250482 O\n0.749936 0.333084 0.656432 O\n0.516487 0.807829 0.828493 O\n0.465944 0.914038 0.167379 O\n0.669515 0.512419 0.830588 O\n0.671957 0.656683 0.979693 O\n0.668087 0.668995 0.478723 O\n0.814688 0.511996 0.331423 O\n0.614936 0.908065 0.678135 O\n0.674549 0.813033 0.329582 O\n0.915555 0.339345 0.162471 O\n0.008534 0.204848 0.743867 O\n0.994220 0.215338 0.923904 O\n0.902870 0.476801 0.677823 O\n0.811596 0.673708 0.831911 O\n0.904005 0.622133 0.171377 O\n0.745921 0.918829 0.160178 O\n0.770317 0.995951 0.932538 O\n0.789815 0.001615 0.750200 O\n0.913579 0.749623 0.657383 O\n0.997137 0.758968 0.432078 O\n0.999838 0.792862 0.250842 O\n",
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"formula_full": "Li12 V6 P16 O58",
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{
"id": "mp-1213428",
"created_at": "2022-09-04T14:42:45.794718Z",
"structure_string": "Dy4 Mn34 C6\n1.0\n0.000000 0.000000 -8.323825\n-4.273589 -7.402074 0.000000\n-4.273589 7.402074 0.000000\nDy Mn C\n4 34 6\ndirect\n0.750000 0.666667 0.333333 Dy\n0.250000 0.333333 0.666667 Dy\n0.750000 0.000000 0.000000 Dy\n0.250000 0.000000 0.000000 Dy\n0.750000 0.614393 0.672227 Mn\n0.250000 0.385607 0.327773 Mn\n0.750000 0.057834 0.385607 Mn\n0.250000 0.942166 0.327773 Mn\n0.250000 0.942166 0.614393 Mn\n0.750000 0.057834 0.672227 Mn\n0.750000 0.327773 0.942166 Mn\n0.250000 0.672227 0.614393 Mn\n0.250000 0.672227 0.057834 Mn\n0.750000 0.327773 0.385607 Mn\n0.250000 0.385607 0.057834 Mn\n0.750000 0.614393 0.942166 Mn\n0.388949 0.666667 0.333333 Mn\n0.611051 0.333333 0.666667 Mn\n0.888949 0.333333 0.666667 Mn\n0.111051 0.666667 0.333333 Mn\n0.976520 0.827397 0.172603 Mn\n0.023480 0.172603 0.827397 Mn\n0.976520 0.345207 0.172603 Mn\n0.476520 0.172603 0.827397 Mn\n0.023480 0.654793 0.827397 Mn\n0.523480 0.827397 0.172603 Mn\n0.976520 0.827397 0.654793 Mn\n0.476520 0.654793 0.827397 Mn\n0.023480 0.172603 0.345207 Mn\n0.523480 0.345207 0.172603 Mn\n0.476520 0.172603 0.345207 Mn\n0.523480 0.827397 0.654793 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.750000 0.836127 0.163873 C\n0.250000 0.163873 0.836127 C\n0.750000 0.327746 0.163873 C\n0.250000 0.672254 0.836127 C\n0.750000 0.836127 0.672254 C\n0.250000 0.163873 0.327746 C\n",
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{
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"structure_string": "Sr1 Eu1 Hf1 Zr1 O6\n1.0\n0.000000 -4.165606 -4.165606\n4.165606 0.000000 -4.165606\n4.165606 -4.165606 0.000000\nSr Eu Hf Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751959 0.248041 0.248041 O\n0.248041 0.751959 0.751959 O\n0.751959 0.248041 0.751959 O\n0.248041 0.751959 0.248041 O\n0.751959 0.751959 0.248041 O\n0.248041 0.248041 0.751959 O\n",
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"formula_full": "Sr1 Eu1 Hf1 Zr1 O6",
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{
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"structure_string": "Ba1 Co1 O3\n1.0\n3.981593 0.000000 0.000000\n0.000000 3.981593 0.000000\n0.000000 0.000000 3.981593\nBa Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Ba1 Co1 O3",
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{
"id": "mp-759735",
"created_at": "2022-09-04T14:42:45.739672Z",
"structure_string": "Li4 Bi2 P10 O30\n1.0\n5.976643 3.871289 0.000000\n-5.976643 3.871289 0.000000\n0.000000 0.809656 13.383450\nLi Bi P O\n4 2 10 30\ndirect\n0.685555 0.282467 0.723258 Li\n0.282467 0.685555 0.223258 Li\n0.236786 0.277923 0.595786 Li\n0.277923 0.236786 0.095786 Li\n0.107686 0.878705 0.760071 Bi\n0.878705 0.107686 0.260071 Bi\n0.371670 0.974551 0.503600 P\n0.730602 0.599919 0.564043 P\n0.587374 0.847166 0.849265 P\n0.974551 0.371670 0.003600 P\n0.599919 0.730602 0.064043 P\n0.847166 0.587374 0.349265 P\n0.820630 0.066127 0.528214 P\n0.066127 0.820630 0.028214 P\n0.238517 0.440830 0.818203 P\n0.440830 0.238517 0.318203 P\n0.811518 0.908078 0.823048 O\n0.908078 0.811518 0.323048 O\n0.849474 0.599822 0.655564 O\n0.599822 0.849474 0.155564 O\n0.753672 0.824328 0.530012 O\n0.824328 0.753672 0.030012 O\n0.546953 0.846759 0.968324 O\n0.846759 0.546953 0.468324 O\n0.492318 0.973388 0.793858 O\n0.973388 0.492318 0.293858 O\n0.783767 0.331605 0.952098 O\n0.331605 0.783767 0.452098 O\n0.155679 0.919366 0.926678 O\n0.509414 0.457955 0.573797 O\n0.919366 0.155679 0.426678 O\n0.473364 0.604248 0.827971 O\n0.457955 0.509414 0.073797 O\n0.604248 0.473364 0.327971 O\n0.939588 0.163422 0.616210 O\n0.163422 0.939588 0.116210 O\n0.604172 0.083766 0.542942 O\n0.083766 0.604172 0.042942 O\n0.114825 0.552359 0.777384 O\n0.552359 0.114825 0.277384 O\n0.158009 0.359491 0.930453 O\n0.359491 0.158009 0.430453 O\n0.252994 0.267560 0.761435 O\n0.267560 0.252994 0.261435 O\n0.242634 0.987744 0.593587 O\n0.987744 0.242634 0.093587 O\n",
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"formula_full": "Li4 Bi2 P10 O30",
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{
"id": "mp-1209533",
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"structure_string": "Rb4 Ga4 Br16\n1.0\n7.782950 0.000000 0.000000\n0.000000 10.264461 0.000000\n0.000000 0.000000 12.303694\nRb Ga Br\n4 4 16\ndirect\n0.250000 0.659827 0.184479 Rb\n0.750000 0.340173 0.815521 Rb\n0.750000 0.159827 0.315521 Rb\n0.250000 0.840173 0.684479 Rb\n0.250000 0.190238 0.063095 Ga\n0.750000 0.809762 0.936905 Ga\n0.750000 0.690238 0.436905 Ga\n0.250000 0.309762 0.563095 Ga\n0.250000 0.401534 0.388657 Br\n0.750000 0.598466 0.611343 Br\n0.750000 0.901534 0.111343 Br\n0.250000 0.098466 0.888657 Br\n0.250000 0.032997 0.202528 Br\n0.750000 0.967003 0.797472 Br\n0.750000 0.532997 0.297472 Br\n0.250000 0.467003 0.702528 Br\n0.004329 0.325532 0.082984 Br\n0.995671 0.674468 0.917016 Br\n0.995671 0.825532 0.417016 Br\n0.504329 0.674468 0.917016 Br\n0.004329 0.174468 0.582984 Br\n0.495671 0.325532 0.082984 Br\n0.495671 0.174468 0.582984 Br\n0.504329 0.825532 0.417016 Br\n",
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{
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"structure_string": "Nb1 Ga1 Ru2\n1.0\n0.000000 3.108556 3.108556\n3.108556 0.000000 3.108556\n3.108556 3.108556 0.000000\nNb Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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{
"id": "mp-1093930",
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"structure_string": "K1 Tl2 Pb1\n1.0\n-6.414574 6.834878 9.445505\n6.414574 -6.834878 9.445505\n6.414574 6.834878 -9.445505\nK Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.275814 0.275814 Tl\n0.000000 0.724186 0.724186 Tl\n0.000000 0.500000 0.500000 Pb\n",
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{
"id": "mp-1180519",
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"structure_string": "Mg12 In4\n1.0\n8.466095 -3.954431 0.000000\n8.466095 3.954431 0.000000\n6.619019 0.000000 6.595521\nMg In\n12 4\ndirect\n0.824688 0.415176 0.415176 Mg\n0.415176 0.415176 0.824688 Mg\n0.415176 0.824688 0.415176 Mg\n0.694635 0.075827 0.075827 Mg\n0.075827 0.075827 0.694635 Mg\n0.075827 0.694635 0.075827 Mg\n0.305365 0.924173 0.924173 Mg\n0.924173 0.924173 0.305365 Mg\n0.924173 0.305365 0.924173 Mg\n0.175312 0.584824 0.584824 Mg\n0.584824 0.584824 0.175312 Mg\n0.584824 0.175312 0.584824 Mg\n0.847543 0.847543 0.847543 In\n0.152457 0.152457 0.152457 In\n0.282210 0.282210 0.282210 In\n0.717790 0.717790 0.717790 In\n",
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{
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"formula_full": "Li4 Fe4 P8 O28",
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{
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"structure_string": "Rb5 Al1 Mo4 O16\n1.0\n5.366025 0.009322 3.097002\n-1.818147 -7.644343 3.131141\n3.663126 -7.688043 -6.359628\nRb Al Mo O\n5 1 4 16\ndirect\n0.993486 0.450720 0.211679 Rb\n0.493821 0.907725 0.703659 Rb\n0.993644 0.635099 0.793346 Rb\n0.493099 0.116580 0.324904 Rb\n0.492000 0.505546 0.490289 Rb\n0.990437 0.138915 0.071983 Al\n0.493896 0.702212 0.087326 Mo\n0.993236 0.200157 0.600478 Mo\n0.491078 0.282226 0.909385 Mo\n0.991833 0.825336 0.399306 Mo\n0.229575 0.240477 0.008607 O\n0.760590 0.813009 0.499324 O\n0.491025 0.493315 0.804354 O\n0.992097 0.030555 0.240787 O\n0.995891 0.350795 0.685195 O\n0.499485 0.870713 0.155220 O\n0.991889 0.646365 0.353805 O\n0.492199 0.167347 0.805743 O\n0.257294 0.715544 0.986886 O\n0.757862 0.227895 0.494345 O\n0.491923 0.494438 0.219487 O\n0.992230 0.988318 0.720607 O\n0.726317 0.711270 0.984891 O\n0.226685 0.226698 0.493285 O\n0.752701 0.242280 0.008797 O\n0.223809 0.813765 0.499013 O\n",
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"elements": [
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],
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"density": 3.4933763048945417,
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"formula_full": "Rb5 Al1 Mo4 O16",
"formula_reduced": "Rb5Al(MoO4)4",
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"energy": -187.29470339,
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},
{
"id": "mp-1175160",
"created_at": "2022-09-04T14:42:46.753615Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n5.780575 -0.227519 1.322062\n1.747025 11.462683 -2.730935\n0.018353 0.027826 6.420318\nLi Mn Co O\n14 8 2 24\ndirect\n0.833358 0.083320 0.666691 Li\n0.833279 0.583335 0.666588 Li\n0.833943 0.332779 0.666706 Li\n0.832695 0.833823 0.666669 Li\n0.334077 0.333400 0.666910 Li\n0.332556 0.833251 0.666436 Li\n0.486672 0.488639 0.987466 Li\n0.485105 0.988681 0.987583 Li\n0.181672 0.177943 0.345853 Li\n0.179759 0.677951 0.345845 Li\n0.501575 0.249314 0.985443 Li\n0.499899 0.749563 0.985248 Li\n0.166755 0.417086 0.348004 Li\n0.165152 0.917337 0.347917 Li\n0.006922 0.499374 0.992780 Mn\n0.006458 0.999387 0.992833 Mn\n0.660329 0.167291 0.340549 Mn\n0.659601 0.667332 0.340444 Mn\n0.011080 0.252220 0.994674 Mn\n0.009910 0.752086 0.994349 Mn\n0.656693 0.414582 0.339049 Mn\n0.655658 0.914464 0.338708 Mn\n0.333310 0.583339 0.666634 Co\n0.333383 0.083330 0.666701 Co\n0.219315 0.370537 0.000554 O\n0.218136 0.870437 0.000252 O\n0.448587 0.296217 0.333091 O\n0.447273 0.796202 0.332769 O\n0.883290 0.032111 0.319439 O\n0.883852 0.532411 0.319446 O\n0.783497 0.134559 0.013956 O\n0.782675 0.634330 0.013722 O\n0.578636 0.461567 0.650641 O\n0.577985 0.961399 0.650361 O\n0.088770 0.205255 0.683034 O\n0.088011 0.705114 0.682669 O\n0.250782 0.134806 0.990825 O\n0.249847 0.635023 0.990754 O\n0.415986 0.031878 0.342584 O\n0.416762 0.531629 0.342537 O\n0.566322 0.194608 0.650884 O\n0.565556 0.694751 0.650662 O\n0.101053 0.471928 0.682543 O\n0.100449 0.972070 0.682494 O\n0.914141 0.298998 0.323605 O\n0.912794 0.799014 0.323223 O\n0.753877 0.367625 0.010095 O\n0.752567 0.867708 0.009779 O\n",
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],
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"formula_full": "Li14 Mn8 Co2 O24",
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]
}