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"results": [
{
"id": "mp-849281",
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"structure_string": "Li2 Mn8 P6 O24\n1.0\n6.619484 6.103315 0.000000\n-6.619484 6.103315 0.000000\n0.000000 2.924271 6.063191\nLi Mn P O\n2 8 6 24\ndirect\n0.999145 0.000855 0.750000 Li\n0.000855 0.999145 0.250000 Li\n0.939243 0.631150 0.628360 Mn\n0.631150 0.939243 0.128360 Mn\n0.502514 0.497486 0.750000 Mn\n0.261252 0.738748 0.750000 Mn\n0.497486 0.502514 0.250000 Mn\n0.738748 0.261252 0.250000 Mn\n0.368850 0.060757 0.871640 Mn\n0.060757 0.368850 0.371640 Mn\n0.666097 0.885986 0.620625 P\n0.885986 0.666097 0.120625 P\n0.711522 0.288478 0.750000 P\n0.288478 0.711522 0.250000 P\n0.114014 0.333903 0.879375 P\n0.333903 0.114014 0.379375 P\n0.834216 0.846168 0.599672 O\n0.605102 0.954810 0.806951 O\n0.846168 0.834216 0.099672 O\n0.954810 0.605102 0.306951 O\n0.319328 0.993036 0.607830 O\n0.730618 0.462858 0.754158 O\n0.537864 0.736734 0.668397 O\n0.736928 0.183634 0.959693 O\n0.816366 0.263072 0.540307 O\n0.993036 0.319328 0.107830 O\n0.462858 0.730618 0.254158 O\n0.736734 0.537864 0.168397 O\n0.263266 0.462136 0.831603 O\n0.537142 0.269382 0.745842 O\n0.006963 0.680672 0.892170 O\n0.183634 0.736928 0.459693 O\n0.263072 0.816366 0.040307 O\n0.462136 0.263266 0.331603 O\n0.269382 0.537142 0.245842 O\n0.680672 0.006964 0.392170 O\n0.045190 0.394898 0.693049 O\n0.153832 0.165784 0.900328 O\n0.394898 0.045190 0.193049 O\n0.165784 0.153832 0.400328 O\n",
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"formula_full": "Li2 Mn8 P6 O24",
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"spacegroup": 15
},
{
"id": "mp-849283",
"created_at": "2022-09-04T14:46:14.655954Z",
"structure_string": "Li8 Fe4 F16\n1.0\n6.052595 0.000000 0.000000\n0.000000 6.052595 0.000000\n0.000000 0.000000 8.577858\nLi Fe F\n8 4 16\ndirect\n0.256515 0.256515 0.375000 Li\n0.256515 0.743485 0.125000 Li\n0.269438 0.500000 0.750000 Li\n0.500000 0.269438 0.000000 Li\n0.500000 0.730562 0.500000 Li\n0.730562 0.500000 0.250000 Li\n0.743485 0.256515 0.625000 Li\n0.743485 0.743485 0.875000 Li\n0.000000 0.260850 0.000000 Fe\n0.000000 0.739150 0.500000 Fe\n0.260850 0.000000 0.750000 Fe\n0.739150 0.000000 0.250000 Fe\n0.019709 0.247987 0.750717 F\n0.019709 0.752013 0.749283 F\n0.247987 0.019709 0.999283 F\n0.247987 0.980291 0.500717 F\n0.248200 0.483446 0.992941 F\n0.248200 0.516554 0.507059 F\n0.483446 0.248200 0.757059 F\n0.483446 0.751800 0.742941 F\n0.516554 0.248200 0.242941 F\n0.516554 0.751800 0.257059 F\n0.751800 0.516554 0.492941 F\n0.751800 0.483446 0.007059 F\n0.752013 0.980291 0.499283 F\n0.752013 0.019709 0.000717 F\n0.980291 0.247987 0.249283 F\n0.980291 0.752013 0.250717 F\n",
"nsites": 28,
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"elements": [
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],
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"volume": 314.2404456607813,
"volume_molar": 6.758572129479844,
"formula_full": "Li8 Fe4 F16",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 91
},
{
"id": "mp-849284",
"created_at": "2022-09-04T14:46:10.249419Z",
"structure_string": "Mn12 O5 F19\n1.0\n4.846402 0.000000 0.000000\n-0.137825 5.872586 0.000000\n-0.048957 -0.080058 16.000863\nMn O F\n12 5 19\ndirect\n0.033414 0.808074 0.576628 Mn\n0.983072 0.144420 0.747162 Mn\n0.009561 0.830285 0.906384 Mn\n0.983833 0.839302 0.254316 Mn\n0.996517 0.161238 0.418746 Mn\n0.014540 0.156114 0.091419 Mn\n0.505788 0.648055 0.412299 Mn\n0.487292 0.669390 0.083060 Mn\n0.502869 0.673688 0.761710 Mn\n0.500747 0.351216 0.916001 Mn\n0.491051 0.364077 0.583027 Mn\n0.485373 0.341058 0.248201 Mn\n0.218653 0.110697 0.200344 O\n0.292989 0.625375 0.862744 O\n0.306309 0.603022 0.518886 O\n0.699761 0.611083 0.304173 O\n0.786790 0.875000 0.806254 O\n0.240556 0.895044 0.690188 F\n0.223113 0.879228 0.363960 F\n0.219477 0.884425 0.018496 F\n0.238295 0.121467 0.856455 F\n0.239455 0.111879 0.528656 F\n0.268110 0.404417 0.697702 F\n0.266931 0.383481 0.358049 F\n0.240164 0.607548 0.192183 F\n0.268688 0.382273 0.028791 F\n0.745403 0.609516 0.977111 F\n0.738314 0.379380 0.806274 F\n0.726287 0.627414 0.649247 F\n0.743595 0.394425 0.475001 F\n0.713420 0.384619 0.139751 F\n0.771747 0.878913 0.471051 F\n0.760423 0.132618 0.631610 F\n0.780913 0.112014 0.974632 F\n0.769088 0.889191 0.140804 F\n0.747464 0.110052 0.308683 F\n",
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"elements": [
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"density": 4.011785172229737,
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"formula_full": "Mn12 O5 F19",
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"updated_at": "2021-11-28T01:37:24.569000Z",
"spacegroup": 1
},
{
"id": "mp-849285",
"created_at": "2022-09-04T14:42:50.504281Z",
"structure_string": "Na16 Nb2 O12\n1.0\n3.263559 -5.652650 0.000000\n3.263559 5.652650 0.000000\n0.000000 0.000000 13.253620\nNa Nb O\n16 2 12\ndirect\n0.000000 0.697345 0.769235 Na\n0.000000 0.601593 0.128499 Na\n0.000000 0.398407 0.628499 Na\n0.000000 0.302655 0.269235 Na\n0.333333 0.666667 0.409347 Na\n0.333333 0.666667 0.909347 Na\n0.302655 0.302655 0.769235 Na\n0.398407 0.398407 0.128499 Na\n0.601593 0.601593 0.628499 Na\n0.302655 0.000000 0.269235 Na\n0.697345 0.697345 0.269235 Na\n0.398407 0.000000 0.628499 Na\n0.666667 0.333333 0.909347 Na\n0.666667 0.333333 0.409347 Na\n0.601593 0.000000 0.128499 Na\n0.697345 0.000000 0.769235 Na\n0.000000 0.000000 0.990664 Nb\n0.000000 0.000000 0.490664 Nb\n0.000000 0.719815 0.953194 O\n0.000000 0.280185 0.453194 O\n0.333333 0.666667 0.222690 O\n0.000000 0.000000 0.134116 O\n0.000000 0.000000 0.634116 O\n0.333333 0.666667 0.722690 O\n0.280185 0.280185 0.953194 O\n0.280185 0.000000 0.453194 O\n0.719815 0.719815 0.453194 O\n0.666667 0.333333 0.722690 O\n0.666667 0.333333 0.222690 O\n0.719815 0.000000 0.953194 O\n",
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],
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"formula_full": "Na16 Nb2 O12",
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{
"id": "mp-849286",
"created_at": "2022-09-04T14:40:26.575151Z",
"structure_string": "Ba12 Ga24 S48\n1.0\n12.840233 0.000000 0.000000\n0.000000 12.840233 0.000000\n0.000000 0.000000 12.840233\nBa Ga S\n12 24 48\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.128094 0.871906 0.371906 Ba\n0.128094 0.628094 0.871906 Ba\n0.371906 0.371906 0.371906 Ba\n0.371906 0.128094 0.871906 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.628094 0.871906 0.128094 Ba\n0.628094 0.628094 0.628094 Ba\n0.871906 0.128094 0.628094 Ba\n0.871906 0.371906 0.128094 Ba\n0.126737 0.195729 0.356921 Ga\n0.126737 0.304271 0.856921 Ga\n0.143079 0.626737 0.195729 Ga\n0.143079 0.873263 0.695729 Ga\n0.195729 0.143079 0.626737 Ga\n0.195729 0.356921 0.126737 Ga\n0.304271 0.856921 0.126737 Ga\n0.304271 0.643079 0.626737 Ga\n0.356921 0.126737 0.195729 Ga\n0.356921 0.373263 0.695729 Ga\n0.373263 0.695729 0.356921 Ga\n0.373263 0.804271 0.856921 Ga\n0.626737 0.195729 0.143079 Ga\n0.626737 0.304271 0.643079 Ga\n0.643079 0.626737 0.304271 Ga\n0.643079 0.873263 0.804271 Ga\n0.695729 0.143079 0.873263 Ga\n0.695729 0.356921 0.373263 Ga\n0.804271 0.643079 0.873263 Ga\n0.804271 0.856921 0.373263 Ga\n0.856921 0.126737 0.304271 Ga\n0.856921 0.373263 0.804271 Ga\n0.873263 0.695729 0.143079 Ga\n0.873263 0.804271 0.643079 Ga\n0.026572 0.076798 0.270535 S\n0.026572 0.423202 0.770535 S\n0.076798 0.270535 0.026572 S\n0.076798 0.229465 0.526572 S\n0.127850 0.362316 0.293251 S\n0.127850 0.137684 0.793251 S\n0.137684 0.793251 0.127850 S\n0.137684 0.706749 0.627850 S\n0.206749 0.627850 0.362316 S\n0.206749 0.872150 0.862316 S\n0.229465 0.526572 0.076798 S\n0.229465 0.973428 0.576798 S\n0.270535 0.026572 0.076798 S\n0.270535 0.473428 0.576798 S\n0.293251 0.127850 0.362316 S\n0.293251 0.372150 0.862316 S\n0.362316 0.293251 0.127850 S\n0.362316 0.206749 0.627850 S\n0.372150 0.862316 0.293251 S\n0.372150 0.637684 0.793251 S\n0.423202 0.729465 0.526572 S\n0.423202 0.770535 0.026572 S\n0.473428 0.576798 0.270535 S\n0.473428 0.923202 0.770535 S\n0.526572 0.076798 0.229465 S\n0.526572 0.423202 0.729465 S\n0.576798 0.270535 0.473428 S\n0.576798 0.229465 0.973428 S\n0.627850 0.362316 0.206749 S\n0.627850 0.137684 0.706749 S\n0.637684 0.706749 0.872150 S\n0.637684 0.793251 0.372150 S\n0.706749 0.627850 0.137684 S\n0.706749 0.872150 0.637684 S\n0.729465 0.526572 0.423202 S\n0.729465 0.973428 0.923202 S\n0.770535 0.026572 0.423202 S\n0.770535 0.473428 0.923202 S\n0.793251 0.127850 0.137684 S\n0.793251 0.372150 0.637684 S\n0.862316 0.206749 0.872150 S\n0.862316 0.293251 0.372150 S\n0.872150 0.637684 0.706749 S\n0.872150 0.862316 0.206749 S\n0.923202 0.729465 0.973428 S\n0.923202 0.770535 0.473428 S\n0.973428 0.576798 0.229465 S\n0.973428 0.923202 0.729465 S\n",
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"formula_full": "Ba12 Ga24 S48",
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{
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"structure_string": "V6 O10 F2\n1.0\n4.663611 0.000000 0.000000\n0.124778 5.535457 0.000000\n0.214155 0.684207 7.518752\nV O F\n6 10 2\ndirect\n0.518604 0.834627 0.669874 V\n0.493014 0.508982 0.996974 V\n0.522551 0.179186 0.340278 V\n0.998995 0.320586 0.674362 V\n0.972778 0.652951 0.319526 V\n0.994137 0.009273 0.985311 V\n0.805118 0.372613 0.436342 O\n0.801037 0.709546 0.096008 O\n0.798906 0.019961 0.771706 O\n0.689242 0.205225 0.108863 O\n0.696231 0.517460 0.778801 O\n0.716012 0.866622 0.424615 O\n0.309664 0.136824 0.551567 O\n0.298030 0.477179 0.236511 O\n0.292624 0.795882 0.904497 O\n0.199935 0.290300 0.910446 O\n0.195032 0.967764 0.228375 F\n0.198091 0.635019 0.565944 F\n",
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{
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