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{
"id": "jvasp-46718",
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"structure_string": "Li1 Fe2 P2 O8\n1.0\n2.397278 1.979262 -4.054612\n-2.397278 4.511628 -0.050636\n4.787206 2.525916 3.993778\nLi Fe P O\n1 2 2 8\ndirect\n0.501618 0.501618 -0.000000 Li\n0.991195 0.991194 -0.000000 Fe\n0.510356 0.510356 0.500000 Fe\n0.485063 0.013401 0.252222 P\n0.013401 0.485063 0.747779 P\n0.561130 0.706672 0.254610 O\n0.136498 0.574697 0.554997 O\n0.626606 0.121375 0.067880 O\n0.185804 0.085589 0.223899 O\n0.085589 0.185804 0.776102 O\n0.121376 0.626606 0.932121 O\n0.574696 0.136498 0.445004 O\n0.706672 0.561129 0.745390 O\n",
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"structure_string": "Be4 B2 O6 F2\n1.0\n4.326222 -0.000132 1.140697\n2.012670 3.829536 1.140697\n0.009754 0.005893 8.753435\nBe B O F\n4 2 6 2\ndirect\n0.563339 0.062952 0.810510 Be\n0.937046 0.436660 0.689491 Be\n0.062952 0.563340 0.310510 Be\n0.436659 0.937048 0.189491 Be\n0.250233 0.749766 0.750000 B\n0.749765 0.250235 0.250000 B\n0.250284 0.441794 0.749905 O\n0.441793 0.250285 0.249905 O\n0.558205 0.749716 0.750095 O\n0.749715 0.558207 0.250096 O\n0.942262 0.057737 0.750000 O\n0.057736 0.942264 0.250000 O\n0.500000 0.000000 0.000000 F\n-0.000001 0.500000 0.500000 F\n",
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{
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"structure_string": "Na1 Tl2 Ga1 F6\n1.0\n0.000000 4.232797 4.232797\n4.232797 -0.000000 4.232797\n4.232797 4.232797 0.000000\nNa Tl Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Tl\n0.750001 0.750001 0.750001 Tl\n0.000000 0.000000 0.000000 Ga\n0.228298 0.771703 0.771703 F\n0.228298 0.771703 0.228298 F\n0.771703 0.228298 0.771703 F\n0.771703 0.771703 0.228298 F\n0.228298 0.228298 0.771703 F\n0.771703 0.228298 0.228298 F\n",
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"formula_full": "Na1 Tl2 Ga1 F6",
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{
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"updated_at": "2022-09-04T14:37:43.799431Z",
"structure_string": "Na2 Nd2 Ti2 O8\n1.0\n3.738752 0.000000 -0.000000\n0.000000 3.738752 -0.000000\n-0.000000 -0.000000 13.113616\nNa Nd Ti O\n2 2 2 8\ndirect\n0.000000 0.500000 0.582695 Na\n0.500000 0.000000 0.417306 Na\n0.500000 0.000000 0.108256 Nd\n0.000000 0.500000 0.891745 Nd\n0.000000 0.500000 0.272645 Ti\n0.500000 0.000000 0.727356 Ti\n0.500000 0.000000 0.930134 O\n0.000000 0.500000 0.069866 O\n0.500000 0.000000 0.592600 O\n0.000000 0.500000 0.407400 O\n0.500000 0.500000 0.234542 O\n0.000000 0.000000 0.234542 O\n0.500000 0.500000 0.765459 O\n0.000000 0.000000 0.765459 O\n",
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{
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"structure_string": "Li1 Si1 B1 O4\n1.0\n3.871875 0.000000 -2.101093\n-1.140169 3.700193 -2.101093\n0.013186 0.017860 4.642372\nLi Si B O\n1 1 1 4\ndirect\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Si\n0.250000 0.749999 0.500000 B\n0.144930 0.713901 0.743513 O\n0.598585 0.029611 0.743514 O\n0.970390 0.855069 0.256488 O\n0.286099 0.401416 0.256487 O\n",
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{
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"created_at": "2022-09-04T14:37:59.334478Z",
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"structure_string": "K2 Na1 Ce1 I6\n1.0\n7.516473 -0.000000 4.339638\n2.505491 7.086598 4.339638\n-0.000000 -0.000000 8.679275\nK Na Ce I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ce\n0.747936 0.252064 0.252064 I\n0.252063 0.252064 0.747937 I\n0.252063 0.747937 0.747937 I\n0.252063 0.747937 0.252064 I\n0.747936 0.252064 0.747937 I\n0.747936 0.747937 0.252064 I\n",
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{
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"updated_at": "2022-09-04T14:37:52.746413Z",
"structure_string": "Ti1 Mn3 P4 O16\n1.0\n0.000000 4.861464 -0.005624\n5.923740 0.000000 0.000000\n0.000000 -0.032490 -9.809450\nTi Mn P O\n1 3 4 16\ndirect\n0.943669 0.500000 0.275787 Ti\n0.077032 0.000000 0.718210 Mn\n0.431475 0.000000 0.220246 Mn\n0.580793 0.500000 0.780178 Mn\n0.107876 0.500000 0.596963 P\n0.370912 0.500000 0.091072 P\n0.608533 0.000000 0.903474 P\n0.910979 0.000000 0.409429 P\n0.771926 0.791906 0.334462 O\n0.796258 0.500000 0.618726 O\n0.675019 0.500000 0.132977 O\n0.754854 0.204856 0.833763 O\n0.754854 0.795144 0.833763 O\n0.655378 0.000000 0.057788 O\n0.338553 0.500000 0.937927 O\n0.220679 0.000000 0.387852 O\n0.215467 0.300939 0.164567 O\n0.295773 0.000000 0.877301 O\n0.771926 0.208094 0.334462 O\n0.255238 0.705193 0.663095 O\n0.255238 0.294807 0.663095 O\n0.151990 0.500000 0.439193 O\n0.215467 0.699061 0.164567 O\n0.840098 0.000000 0.561098 O\n",
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{
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"created_at": "2022-09-04T14:37:36.456305Z",
"updated_at": "2022-09-04T14:37:36.456326Z",
"structure_string": "V2 Ag2 Hg2 O8\n1.0\n5.495281 0.000000 -0.000000\n-2.747641 5.196334 -0.579799\n-0.000000 -0.249096 7.153845\nV Ag Hg O\n2 2 2 8\ndirect\n0.316807 0.625332 0.771815 V\n0.691474 0.374666 0.228185 V\n0.355414 0.729206 0.283648 Ag\n0.626207 0.270792 0.716353 Ag\n0.006142 -0.000000 0.000000 Hg\n0.965756 -0.000000 0.500000 Hg\n0.226112 0.732140 0.980035 O\n0.493971 0.267859 0.019965 O\n0.494974 0.235844 0.405924 O\n0.259130 0.764155 0.594077 O\n0.082671 0.276752 0.735239 O\n0.805918 0.723246 0.264762 O\n0.957134 0.289250 0.216870 O\n0.667884 0.710749 0.783131 O\n",
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{
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"structure_string": "Na1 Zr2 Cu1 F11\n1.0\n5.705389 0.259445 -0.620873\n-1.541571 4.874598 1.775214\n-2.174546 -0.684403 7.508187\nNa Zr Cu F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.496419 0.512856 0.763821 Zr\n0.503581 0.487146 0.236179 Zr\n-0.000000 0.000000 0.500000 Cu\n0.328967 0.793854 0.118760 F\n0.150852 0.265127 0.650823 F\n0.807633 0.787958 0.727127 F\n0.671033 0.206148 0.881240 F\n0.292534 0.376057 -0.032922 F\n0.849148 0.734874 0.349177 F\n0.708085 0.183333 0.350936 F\n0.291915 0.816669 0.649064 F\n0.192367 0.212044 0.272872 F\n0.500000 0.500001 0.500000 F\n0.707466 0.623945 0.032922 F\n",
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"structure_string": "Li1 Bi3 Cl2 O4\n1.0\n6.634985 0.045503 0.000000\n-4.394194 4.971534 0.000000\n-0.000000 -0.000000 5.487204\nLi Bi Cl O\n1 3 2 4\ndirect\n0.696080 0.303919 0.500000 Li\n0.149609 0.850390 -0.000000 Bi\n0.841144 0.158855 -0.000000 Bi\n0.345352 0.654646 0.500000 Bi\n0.495357 0.504642 -0.000000 Cl\n0.987017 0.012981 0.500000 Cl\n0.494235 0.001518 0.750739 O\n-0.001518 0.505764 0.249260 O\n-0.001518 0.505764 0.750739 O\n0.494235 0.001518 0.249260 O\n",
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{
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"structure_string": "Ba2 Ca1 Te1 O6\n1.0\n5.187532 -0.000000 2.995022\n1.729177 4.890852 2.995024\n-0.000002 0.000001 5.990048\nBa Ca Te O\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 -0.000000 Ca\n0.500001 0.500000 0.500000 Te\n0.269308 0.730692 0.730692 O\n0.269308 0.269307 0.730692 O\n0.730693 0.269307 0.730692 O\n0.269308 0.730692 0.269307 O\n0.730693 0.730692 0.269307 O\n0.730693 0.269307 0.269307 O\n",
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{
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}