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{
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"formula_full": "Li6 Mn1 V3 P6 O24",
"formula_reduced": "Li6MnV3(PO4)6",
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},
{
"id": "mp-1034896",
"created_at": "2022-09-04T14:46:42.404516Z",
"structure_string": "Mg14 Zn1 Si1 O16\n1.0\n8.591912 0.000000 0.000000\n0.000000 8.591912 0.000000\n0.000000 0.000000 4.295472\nMg Zn Si O\n14 1 1 16\ndirect\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.249851 0.500000 Mg\n-0.000000 0.750149 0.500000 Mg\n0.500000 0.246965 0.500000 Mg\n0.500000 0.753035 0.500000 Mg\n0.249851 0.000000 0.500000 Mg\n0.246965 0.500000 0.500000 Mg\n0.750149 0.000000 0.500000 Mg\n0.753035 0.500000 0.500000 Mg\n0.248645 0.248645 -0.000000 Mg\n0.248645 0.751355 -0.000000 Mg\n0.751355 0.248645 0.000000 Mg\n0.751355 0.751355 0.000000 Mg\n-0.000000 -0.000000 -0.000000 Zn\n0.500000 0.500000 -0.000000 Si\n0.252009 -0.000000 -0.000000 O\n0.239323 0.500000 -0.000000 O\n0.747991 0.000000 -0.000000 O\n0.760677 0.500000 -0.000000 O\n0.250425 0.250425 0.500000 O\n0.250425 0.749575 0.500000 O\n0.749575 0.250425 0.500000 O\n0.749575 0.749575 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.252009 0.000000 O\n-0.000000 0.747991 0.000000 O\n0.500000 0.239323 0.000000 O\n0.500000 0.760677 -0.000000 O\n",
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"elements": [
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"formula_full": "Mg14 Zn1 Si1 O16",
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},
{
"id": "mp-1025150",
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"structure_string": "Cu2 W1 Se4\n1.0\n5.627036 0.000000 0.000000\n0.000000 5.627036 0.000000\n0.000000 0.000000 5.391035\nCu W Se\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 W\n0.250320 0.749680 0.238062 Se\n0.749680 0.250320 0.238062 Se\n0.250320 0.250320 0.761938 Se\n0.749680 0.749680 0.761938 Se\n",
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{
"id": "mp-1185680",
"created_at": "2022-09-04T14:46:42.531030Z",
"structure_string": "Mg16 Al12 Ni1\n1.0\n7.515986 -4.339357 3.068389\n-0.067359 8.484261 2.958391\n-7.381267 -4.183796 2.958391\nMg Al Ni\n16 12 1\ndirect\n0.002070 0.352240 0.000000 Mg\n0.575168 0.270622 0.000000 Mg\n0.990509 0.000000 0.000000 Mg\n0.319171 0.593813 0.000001 Mg\n0.575167 0.000000 0.270622 Mg\n0.683672 0.675394 0.278186 Mg\n0.008279 0.602792 0.324606 Mg\n0.002070 0.000000 0.352240 Mg\n0.405487 0.721815 0.397209 Mg\n0.725357 0.406187 0.406187 Mg\n0.319171 0.000000 0.593814 Mg\n0.008278 0.324606 0.602792 Mg\n0.649829 0.647758 0.647758 Mg\n0.683673 0.278186 0.675394 Mg\n0.405487 0.397209 0.721815 Mg\n0.304545 0.729378 0.729378 Mg\n0.648026 0.810231 0.999999 Al\n0.813502 0.615647 0.000000 Al\n0.366103 0.358736 0.180278 Al\n0.185825 0.819721 0.178457 Al\n0.837793 0.189768 0.189767 Al\n0.366104 0.180278 0.358736 Al\n0.197855 0.384353 0.384354 Al\n0.813502 0.000000 0.615647 Al\n0.007367 0.821543 0.641265 Al\n0.648025 0.999999 0.810232 Al\n0.007367 0.641265 0.821543 Al\n0.185824 0.178457 0.819722 Al\n0.264779 0.999999 0.000000 Ni\n",
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{
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"structure_string": "Nd1 Zn1\n1.0\n3.686336 0.000000 0.000000\n0.000000 3.686336 0.000000\n0.000000 0.000000 3.686336\nNd Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "mp-1212130",
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"structure_string": "Li12 Tb4 N24 O72\n1.0\n7.673672 0.000000 0.000000\n0.000000 7.938739 0.000000\n0.000000 7.343325 24.376245\nLi Tb N O\n12 4 24 72\ndirect\n0.183710 0.926789 0.365593 Li\n0.816290 0.073211 0.634407 Li\n0.683710 0.073211 0.134407 Li\n0.316290 0.926789 0.865593 Li\n0.442146 0.746451 0.254841 Li\n0.557854 0.253549 0.745159 Li\n0.942146 0.253549 0.245159 Li\n0.057854 0.746451 0.754841 Li\n0.710234 0.783683 0.474308 Li\n0.289766 0.216317 0.525692 Li\n0.210234 0.216317 0.025692 Li\n0.789766 0.783683 0.974308 Li\n0.694206 0.367036 0.390326 Tb\n0.305794 0.632964 0.609674 Tb\n0.194206 0.632964 0.109674 Tb\n0.805794 0.367036 0.890326 Tb\n0.201613 0.000009 0.264760 N\n0.798387 0.999991 0.735240 N\n0.701613 0.999991 0.235240 N\n0.298387 0.000009 0.764760 N\n0.697786 0.469354 0.269743 N\n0.302214 0.530646 0.730257 N\n0.197786 0.530646 0.230257 N\n0.802214 0.469354 0.769743 N\n0.507851 0.800600 0.053940 N\n0.492149 0.199400 0.946060 N\n0.007851 0.199400 0.446060 N\n0.992149 0.800600 0.553940 N\n0.871386 0.535834 0.063829 N\n0.128614 0.464166 0.936171 N\n0.371386 0.464166 0.436171 N\n0.628614 0.535834 0.563829 N\n0.885655 0.682370 0.393611 N\n0.114345 0.317630 0.606389 N\n0.385655 0.317630 0.106389 N\n0.614345 0.682370 0.893611 N\n0.992548 0.958047 0.097203 N\n0.007452 0.041953 0.902797 N\n0.492548 0.041953 0.402797 N\n0.507452 0.958047 0.597203 N\n0.602871 0.547298 0.297594 O\n0.397129 0.452702 0.702406 O\n0.102871 0.452702 0.202406 O\n0.897129 0.547298 0.797594 O\n0.476018 0.805871 0.102617 O\n0.523982 0.194129 0.897383 O\n0.976018 0.194129 0.397383 O\n0.023982 0.805871 0.602617 O\n0.395404 0.722799 0.031876 O\n0.604596 0.277201 0.968124 O\n0.895404 0.277201 0.468124 O\n0.104596 0.722799 0.531876 O\n0.699755 0.511892 0.219545 O\n0.300245 0.488108 0.780455 O\n0.199755 0.488108 0.280455 O\n0.800245 0.511892 0.719545 O\n0.736751 0.501024 0.042716 O\n0.263249 0.498976 0.957284 O\n0.236751 0.498976 0.457284 O\n0.763249 0.501024 0.542716 O\n0.951586 0.813270 0.132056 O\n0.048414 0.186730 0.867944 O\n0.451586 0.186730 0.367944 O\n0.548414 0.813270 0.632056 O\n0.642352 0.868148 0.029138 O\n0.357648 0.131852 0.970862 O\n0.142352 0.131852 0.470862 O\n0.857648 0.868148 0.529138 O\n0.704026 0.959523 0.286067 O\n0.295974 0.040477 0.713933 O\n0.204026 0.040477 0.213933 O\n0.795974 0.959523 0.786067 O\n0.364081 0.959742 0.570517 O\n0.635919 0.040258 0.429483 O\n0.864081 0.040258 0.929483 O\n0.135919 0.959742 0.070517 O\n0.967227 0.809169 0.400539 O\n0.032773 0.190831 0.599461 O\n0.467227 0.190831 0.099461 O\n0.532773 0.809169 0.900539 O\n0.975565 0.660234 0.035339 O\n0.024435 0.339766 0.964661 O\n0.475565 0.339766 0.464661 O\n0.524435 0.660234 0.535339 O\n0.918337 0.460102 0.112569 O\n0.081663 0.539898 0.887431 O\n0.418337 0.539898 0.387431 O\n0.581663 0.460102 0.612569 O\n0.791533 0.341432 0.299415 O\n0.208467 0.658568 0.700585 O\n0.291533 0.658568 0.200585 O\n0.708467 0.341432 0.799415 O\n0.401033 0.907928 0.411729 O\n0.598967 0.092072 0.588271 O\n0.901033 0.092072 0.088271 O\n0.098967 0.907928 0.911729 O\n0.935859 0.592299 0.362723 O\n0.064141 0.407701 0.637277 O\n0.435859 0.407701 0.137277 O\n0.564141 0.592299 0.862723 O\n0.740334 0.635856 0.419458 O\n0.259666 0.364144 0.580542 O\n0.240334 0.364144 0.080542 O\n0.759666 0.635856 0.919458 O\n0.608525 0.915758 0.209221 O\n0.391475 0.084242 0.790779 O\n0.108525 0.084242 0.290779 O\n0.891475 0.915758 0.709221 O\n0.290989 0.871810 0.294806 O\n0.709011 0.128190 0.705194 O\n0.790989 0.128190 0.205194 O\n0.209011 0.871810 0.794806 O\n",
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"formula_full": "Li12 Tb4 N24 O72",
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{
"id": "mp-1183685",
"created_at": "2022-09-04T14:46:42.566942Z",
"structure_string": "Ce1 Be1 O3\n1.0\n3.600447 0.000000 0.000000\n0.000000 3.600447 0.000000\n0.000000 0.000000 3.600447\nCe Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 46.67338151802652,
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{
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