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{
"id": "mp-775911",
"created_at": "2022-09-04T14:41:36.340203Z",
"structure_string": "La4 Nb4 N4 O10\n1.0\n5.392791 5.383331 0.000000\n-5.392791 5.383331 0.000000\n0.000000 5.374817 5.393739\nLa Nb N O\n4 4 4 10\ndirect\n0.374439 0.119767 0.255090 La\n0.373237 0.629487 0.747423 La\n0.370513 0.626763 0.252577 La\n0.880233 0.625561 0.744910 La\n0.868745 0.108976 0.763537 Nb\n0.862781 0.623807 0.255678 Nb\n0.376193 0.137219 0.744322 Nb\n0.891024 0.131255 0.236463 Nb\n0.809568 0.809506 0.995475 N\n0.556872 0.443128 0.500000 N\n0.248687 0.751313 0.500000 N\n0.190494 0.190432 0.004525 N\n0.195967 0.197899 0.602229 O\n0.801450 0.198550 0.000000 O\n0.202939 0.797061 0.000000 O\n0.802101 0.804033 0.397771 O\n0.501702 0.498298 0.000000 O\n0.950164 0.450995 0.499951 O\n0.554520 0.054270 0.892975 O\n0.943635 0.056365 0.500000 O\n0.945730 0.445480 0.107025 O\n0.549005 0.049836 0.500049 O\n",
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{
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"structure_string": "La4 Tb4 O14\n1.0\n0.000000 5.609721 5.609721\n5.609721 0.000000 5.609721\n5.609721 5.609721 0.000000\nLa Tb O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 La\n0.125000 0.125000 0.125000 La\n0.125000 0.625000 0.125000 La\n0.125000 0.125000 0.625000 La\n0.625000 0.625000 0.125000 Tb\n0.625000 0.625000 0.625000 Tb\n0.625000 0.125000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.722855 0.277145 0.277145 O\n0.722855 0.722855 0.277145 O\n0.277145 0.722855 0.277145 O\n0.000000 0.000000 0.000000 O\n0.722855 0.277145 0.722855 O\n0.972855 0.527145 0.527145 O\n0.277145 0.722855 0.722855 O\n0.527145 0.972855 0.527145 O\n0.250000 0.250000 0.250000 O\n0.972855 0.527145 0.972855 O\n0.527145 0.527145 0.972855 O\n0.972855 0.972855 0.527145 O\n0.527145 0.972855 0.972855 O\n0.277145 0.277145 0.722855 O\n",
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"formula_full": "La4 Tb4 O14",
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{
"id": "mp-540577",
"created_at": "2022-09-04T14:41:36.226017Z",
"structure_string": "K2 Zr4 P6 O24\n1.0\n8.482619 -4.433104 0.000000\n8.482619 4.433104 0.000000\n6.165833 0.000000 7.320502\nK Zr P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.649545 0.649545 0.649545 Zr\n0.850455 0.850455 0.850455 Zr\n0.350455 0.350455 0.350455 Zr\n0.149545 0.149545 0.149545 Zr\n0.037024 0.462976 0.750000 P\n0.462976 0.750000 0.037024 P\n0.750000 0.037024 0.462976 P\n0.962976 0.537024 0.250000 P\n0.537024 0.250000 0.962976 P\n0.250000 0.962976 0.537024 P\n0.922030 0.070415 0.295043 O\n0.070415 0.295043 0.922030 O\n0.295043 0.922030 0.070415 O\n0.429585 0.577970 0.204957 O\n0.577970 0.204957 0.429585 O\n0.204957 0.429585 0.577970 O\n0.077970 0.929585 0.704957 O\n0.929585 0.704957 0.077970 O\n0.704957 0.077970 0.929585 O\n0.570415 0.422030 0.795043 O\n0.422030 0.795043 0.570415 O\n0.795043 0.570415 0.422030 O\n0.741535 0.867081 0.488668 O\n0.867081 0.488668 0.741535 O\n0.488668 0.741535 0.867081 O\n0.632919 0.758465 0.011332 O\n0.758465 0.011332 0.632919 O\n0.011332 0.632919 0.758465 O\n0.258465 0.132919 0.511332 O\n0.132919 0.511332 0.258465 O\n0.511332 0.258465 0.132919 O\n0.367081 0.241535 0.988668 O\n0.241535 0.988668 0.367081 O\n0.988668 0.367081 0.241535 O\n",
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"formula_full": "K2 Zr4 P6 O24",
"formula_reduced": "KZr2(PO4)3",
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{
"id": "mp-849481",
"created_at": "2022-09-04T14:41:36.226827Z",
"structure_string": "Li6 Mn6 P8 O32\n1.0\n4.995887 0.000000 0.000000\n0.000000 8.625330 0.000000\n0.000000 7.079249 14.380313\nLi Mn P O\n6 6 8 32\ndirect\n0.000000 0.500000 0.500000 Li\n0.059277 0.193371 0.755648 Li\n0.559277 0.806629 0.744352 Li\n0.440723 0.193371 0.255648 Li\n0.500000 0.500000 0.000000 Li\n0.940723 0.806629 0.244352 Li\n0.010199 0.689910 0.623847 Mn\n0.500000 0.000000 0.500000 Mn\n0.510199 0.310090 0.876153 Mn\n0.000000 0.000000 0.000000 Mn\n0.489801 0.689910 0.123847 Mn\n0.989801 0.310090 0.376153 Mn\n0.496632 0.469580 0.651033 P\n0.996632 0.530420 0.848967 P\n0.997235 0.075966 0.596408 P\n0.497235 0.924034 0.903592 P\n0.502765 0.075966 0.096408 P\n0.002765 0.924034 0.403592 P\n0.003368 0.469580 0.151033 P\n0.503368 0.530420 0.348967 P\n0.408674 0.654313 0.640608 O\n0.931768 0.666363 0.744658 O\n0.339582 0.410896 0.590526 O\n0.806042 0.479057 0.637743 O\n0.949104 0.249156 0.508636 O\n0.306042 0.520943 0.862257 O\n0.839582 0.589104 0.909474 O\n0.431768 0.333637 0.755342 O\n0.289317 0.005514 0.599198 O\n0.908674 0.345687 0.859392 O\n0.812947 0.935345 0.581501 O\n0.921726 0.080702 0.685388 O\n0.550896 0.249156 0.008636 O\n0.421726 0.919298 0.814612 O\n0.312947 0.064655 0.918499 O\n0.789317 0.994486 0.900802 O\n0.210683 0.005514 0.099198 O\n0.687053 0.935345 0.081501 O\n0.578274 0.080702 0.185388 O\n0.449104 0.750844 0.991364 O\n0.078274 0.919298 0.314612 O\n0.187053 0.064655 0.418499 O\n0.091326 0.654313 0.140608 O\n0.710683 0.994486 0.400802 O\n0.568232 0.666363 0.244658 O\n0.160418 0.410896 0.090526 O\n0.693958 0.479057 0.137743 O\n0.050896 0.750844 0.491364 O\n0.193958 0.520943 0.362257 O\n0.660418 0.589104 0.409474 O\n0.068232 0.333637 0.255342 O\n0.591326 0.345687 0.359392 O\n",
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"formula_full": "Li6 Mn6 P8 O32",
"formula_reduced": "Li3Mn3(PO4)4",
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"energy": -396.80431641,
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{
"id": "mp-766581",
"created_at": "2022-09-04T14:41:36.227884Z",
"structure_string": "Li16 Ti4 S16\n1.0\n7.226434 0.000000 0.000000\n0.000000 7.235318 0.000000\n0.000000 2.894662 12.719445\nLi Ti S\n16 4 16\ndirect\n0.481572 0.001121 0.636146 Li\n0.920320 0.823499 0.611367 Li\n0.018428 0.001121 0.136146 Li\n0.225286 0.601583 0.858578 Li\n0.316429 0.580865 0.611897 Li\n0.579680 0.823499 0.111367 Li\n0.816429 0.419135 0.888103 Li\n0.274714 0.601583 0.358578 Li\n0.725286 0.398417 0.641422 Li\n0.183571 0.580865 0.111897 Li\n0.420320 0.176501 0.888633 Li\n0.683571 0.419135 0.388103 Li\n0.774714 0.398417 0.141422 Li\n0.981572 0.998879 0.863854 Li\n0.079680 0.176501 0.388633 Li\n0.518428 0.998879 0.363854 Li\n0.599817 0.788795 0.876259 Ti\n0.900183 0.788795 0.376259 Ti\n0.099817 0.211205 0.623741 Ti\n0.400183 0.211205 0.123741 Ti\n0.166608 0.921996 0.722676 S\n0.344381 0.815375 0.971273 S\n0.846567 0.701046 0.985460 S\n0.333392 0.921996 0.222676 S\n0.155619 0.815375 0.471273 S\n0.547477 0.576018 0.772914 S\n0.653433 0.701046 0.485460 S\n0.952523 0.576018 0.272914 S\n0.047477 0.423982 0.727086 S\n0.346567 0.298954 0.514540 S\n0.452523 0.423982 0.227086 S\n0.844381 0.184625 0.528727 S\n0.666608 0.078004 0.777324 S\n0.153433 0.298954 0.014540 S\n0.655619 0.184625 0.028727 S\n0.833392 0.078004 0.277324 S\n",
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{
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"structure_string": "Sc2 V2 O8\n1.0\n4.902144 0.000000 0.000000\n0.000000 4.902144 0.000000\n-2.451072 -2.451072 5.402911\nSc V O\n2 2 8\ndirect\n0.625000 0.875000 0.250000 Sc\n0.375000 0.125000 0.750000 Sc\n0.125000 0.375000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.371820 0.719832 0.412822 O\n0.041001 0.192990 0.412822 O\n0.219832 0.541001 0.912822 O\n0.692990 0.871820 0.912822 O\n0.628180 0.280168 0.587178 O\n0.958999 0.807010 0.587178 O\n0.780168 0.458999 0.087178 O\n0.307010 0.128180 0.087178 O\n",
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"formula_full": "Sc2 V2 O8",
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{
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"structure_string": "Sr4 U2 Mn2 O12\n1.0\n5.974771 0.000000 0.000000\n0.000000 5.885954 0.000000\n0.000000 5.865504 8.353959\nSr U Mn O\n4 2 2 12\ndirect\n0.459628 0.259226 0.248811 Sr\n0.040372 0.259226 0.748811 Sr\n0.540372 0.740774 0.751189 Sr\n0.959628 0.740774 0.251189 Sr\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.800712 0.671553 0.541491 O\n0.699288 0.671553 0.041491 O\n0.972779 0.840425 0.743465 O\n0.472779 0.159575 0.756535 O\n0.714493 0.244178 0.454060 O\n0.285507 0.755822 0.545940 O\n0.785507 0.244178 0.954060 O\n0.199288 0.328447 0.458509 O\n0.300712 0.328447 0.958509 O\n0.027221 0.159575 0.256535 O\n0.214493 0.755822 0.045940 O\n0.527221 0.840425 0.243465 O\n",
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{
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"structure_string": "Ho1 Sc1 B2 O6\n1.0\n5.535674 -2.448742 0.000000\n5.535674 2.448742 0.000000\n4.452457 0.000000 4.100689\nHo Sc B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Sc\n0.754571 0.754571 0.754571 B\n0.245429 0.245429 0.245429 B\n0.045365 0.479204 0.735119 O\n0.479204 0.735119 0.045365 O\n0.735119 0.045365 0.479204 O\n0.520796 0.264881 0.954635 O\n0.264881 0.954635 0.520796 O\n0.954635 0.520796 0.264881 O\n",
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{
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}