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{
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{
"id": "mp-705526",
"created_at": "2022-09-04T14:44:27.487882Z",
"structure_string": "H64 Au4 C24 S8 N16 Cl4 O16\n1.0\n6.551219 0.000000 0.000000\n0.000000 14.179132 0.000000\n0.000000 0.000000 16.851315\nH Au C S N Cl O\n64 4 24 8 16 4 16\ndirect\n0.065699 0.677125 0.858793 H\n0.565699 0.822875 0.641207 H\n0.934301 0.177125 0.641207 H\n0.434301 0.322875 0.858793 H\n0.934301 0.322875 0.141207 H\n0.434301 0.177125 0.358793 H\n0.065699 0.822875 0.358793 H\n0.565699 0.677125 0.141207 H\n0.985000 0.919416 0.842820 H\n0.485000 0.580584 0.657180 H\n0.015000 0.419416 0.657180 H\n0.515000 0.080584 0.842820 H\n0.015000 0.080584 0.157180 H\n0.515000 0.419416 0.342820 H\n0.985000 0.580584 0.342820 H\n0.485000 0.919416 0.157180 H\n0.906025 0.562707 0.928598 H\n0.406025 0.937293 0.571402 H\n0.093975 0.062707 0.571402 H\n0.593975 0.437293 0.928598 H\n0.093975 0.437293 0.071402 H\n0.593975 0.062707 0.428598 H\n0.906025 0.937293 0.428598 H\n0.406025 0.562707 0.071402 H\n0.848933 0.647997 0.003132 H\n0.348933 0.852003 0.496868 H\n0.151067 0.147997 0.496868 H\n0.651067 0.352003 0.003132 H\n0.151067 0.352003 0.996868 H\n0.651067 0.147997 0.503132 H\n0.848933 0.852003 0.503132 H\n0.348933 0.647997 0.996868 H\n0.675794 0.628992 0.922168 H\n0.175794 0.871008 0.577832 H\n0.324206 0.128992 0.577832 H\n0.824206 0.371008 0.922168 H\n0.324206 0.371008 0.077832 H\n0.824206 0.128992 0.422168 H\n0.675794 0.871008 0.422168 H\n0.175794 0.628992 0.077832 H\n0.256541 0.878310 0.764332 H\n0.756541 0.621690 0.735668 H\n0.743459 0.378310 0.735668 H\n0.243459 0.121690 0.764332 H\n0.743459 0.121690 0.235668 H\n0.243459 0.378310 0.264332 H\n0.256541 0.621690 0.264332 H\n0.756541 0.878310 0.235668 H\n0.313560 0.786384 0.832222 H\n0.813560 0.713616 0.667778 H\n0.686440 0.286384 0.667778 H\n0.186440 0.213616 0.832222 H\n0.686440 0.213616 0.167778 H\n0.186440 0.286384 0.332222 H\n0.313560 0.713616 0.332222 H\n0.813560 0.786384 0.167778 H\n0.141890 0.765925 0.750807 H\n0.641890 0.734075 0.749193 H\n0.858110 0.265925 0.749193 H\n0.358110 0.234075 0.750807 H\n0.858110 0.234075 0.249193 H\n0.358110 0.265925 0.250807 H\n0.141890 0.734075 0.250807 H\n0.641890 0.765925 0.249193 H\n0.750000 0.000000 0.949146 Au\n0.250000 0.500000 0.550854 Au\n0.250000 0.000000 0.050854 Au\n0.750000 0.500000 0.449146 Au\n0.907443 0.794091 0.890683 C\n0.407443 0.705909 0.609317 C\n0.092557 0.294091 0.609317 C\n0.592557 0.205909 0.890683 C\n0.092557 0.205909 0.109317 C\n0.592557 0.294091 0.390683 C\n0.907443 0.705909 0.390683 C\n0.407443 0.794091 0.109317 C\n0.837359 0.631966 0.939484 C\n0.337359 0.868034 0.560516 C\n0.162641 0.131966 0.560516 C\n0.662641 0.368034 0.939484 C\n0.162641 0.368034 0.060516 C\n0.662641 0.131966 0.439484 C\n0.837359 0.868034 0.439484 C\n0.337359 0.631966 0.060516 C\n0.192041 0.817601 0.795558 C\n0.692041 0.682399 0.704442 C\n0.807959 0.317601 0.704442 C\n0.307959 0.182399 0.795558 C\n0.807959 0.182399 0.204442 C\n0.307959 0.317601 0.295558 C\n0.192041 0.682399 0.295558 C\n0.692041 0.817601 0.204442 C\n0.707216 0.837593 0.947598 S\n0.207216 0.662407 0.552402 S\n0.292784 0.337593 0.552402 S\n0.792784 0.162407 0.947598 S\n0.292784 0.162407 0.052402 S\n0.792784 0.337593 0.447598 S\n0.707216 0.662407 0.447598 S\n0.207216 0.837593 0.052402 S\n0.946157 0.701471 0.891938 N\n0.446157 0.798529 0.608062 N\n0.053843 0.201471 0.608062 N\n0.553843 0.298529 0.891938 N\n0.053843 0.298529 0.108062 N\n0.553843 0.201471 0.391938 N\n0.946157 0.798529 0.391938 N\n0.446157 0.701471 0.108062 N\n0.022571 0.849725 0.844401 N\n0.522571 0.650275 0.655599 N\n0.977429 0.349725 0.655599 N\n0.477429 0.150275 0.844401 N\n0.977429 0.150275 0.155599 N\n0.477429 0.349725 0.344401 N\n0.022571 0.650275 0.344401 N\n0.522571 0.849725 0.155599 N\n0.250000 0.500000 0.805147 Cl\n0.750000 0.000000 0.694853 Cl\n0.750000 0.500000 0.194853 Cl\n0.250000 0.000000 0.305147 Cl\n0.182619 0.421505 0.855374 O\n0.682619 0.078495 0.644626 O\n0.817381 0.921505 0.644626 O\n0.317381 0.578495 0.855374 O\n0.817381 0.578495 0.144626 O\n0.317381 0.921505 0.355374 O\n0.182619 0.078495 0.355374 O\n0.682619 0.421505 0.144626 O\n0.080488 0.531932 0.755580 O\n0.580488 0.968068 0.744420 O\n0.919512 0.031932 0.744420 O\n0.419512 0.468068 0.755580 O\n0.919512 0.468068 0.244420 O\n0.419512 0.031932 0.255580 O\n0.080488 0.968068 0.255580 O\n0.580488 0.531932 0.244420 O\n",
"nsites": 136,
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"elements": [
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"Au",
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"S",
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"Cl",
"O"
],
"chemical_system": "Au-C-Cl-H-N-O-S",
"density": 2.141869182195723,
"density_atomic": 0.08688270789894548,
"volume": 1565.3287436457845,
"volume_molar": 6.93134561022711,
"formula_full": "H64 Au4 C24 S8 N16 Cl4 O16",
"formula_reduced": "H16AuC6S2N4ClO4",
"formula_anonymous": "ABC2D4E4F6G16",
"energy": -750.71038665,
"energy_per_atom": -5.519929313602941,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:34.315000Z",
"spacegroup": 60
},
{
"id": "mp-1204309",
"created_at": "2022-09-04T14:43:40.751140Z",
"structure_string": "Sb4 H32 C8 S8 Br12 N16 O4\n1.0\n6.093304 -6.280421 0.000000\n6.093304 6.280421 0.000000\n0.000000 0.000000 20.008588\nSb H C S Br N O\n4 32 8 8 12 16 4\ndirect\n0.910268 0.910268 0.095560 Sb\n0.089732 0.089732 0.904440 Sb\n0.589732 0.589732 0.595560 Sb\n0.410268 0.410268 0.404440 Sb\n0.376537 0.008853 0.073143 H\n0.991147 0.623463 0.926857 H\n0.491147 0.123463 0.573143 H\n0.876537 0.508853 0.426857 H\n0.623463 0.991147 0.926857 H\n0.008853 0.376537 0.073143 H\n0.508853 0.876537 0.426857 H\n0.123463 0.491147 0.573143 H\n0.543944 0.123443 0.076848 H\n0.876557 0.456056 0.923152 H\n0.376557 0.956056 0.576848 H\n0.043944 0.623443 0.423152 H\n0.456056 0.876557 0.923152 H\n0.123443 0.543944 0.076848 H\n0.623443 0.043944 0.423152 H\n0.956056 0.376557 0.576848 H\n0.346563 0.802158 0.148066 H\n0.197842 0.653437 0.851934 H\n0.697842 0.153437 0.648066 H\n0.846563 0.302158 0.351934 H\n0.653437 0.197842 0.851934 H\n0.802158 0.346563 0.148066 H\n0.302158 0.846563 0.351934 H\n0.153437 0.697842 0.648066 H\n0.494020 0.762764 0.203655 H\n0.237236 0.505980 0.796345 H\n0.737236 0.005980 0.703655 H\n0.994020 0.262764 0.296345 H\n0.505980 0.237236 0.796345 H\n0.762764 0.494020 0.203655 H\n0.262764 0.994020 0.296345 H\n0.005980 0.737236 0.703655 H\n0.533561 0.949338 0.143847 C\n0.050662 0.466439 0.856153 C\n0.550662 0.966439 0.643847 C\n0.033561 0.449338 0.356153 C\n0.466439 0.050662 0.856153 C\n0.949338 0.533561 0.143847 C\n0.449338 0.033561 0.356153 C\n0.966439 0.550662 0.643847 C\n0.708409 0.999821 0.181009 S\n0.000179 0.291591 0.818991 S\n0.500179 0.791591 0.681009 S\n0.208409 0.499821 0.318991 S\n0.291591 0.000179 0.818991 S\n0.999821 0.708409 0.181009 S\n0.499821 0.208409 0.318991 S\n0.791591 0.500179 0.681009 S\n0.083307 0.083307 0.191436 Br\n0.916693 0.916693 0.808564 Br\n0.416693 0.416693 0.691436 Br\n0.583307 0.583307 0.308564 Br\n0.715599 0.715599 0.033297 Br\n0.284401 0.284401 0.966703 Br\n0.784401 0.784401 0.533297 Br\n0.215599 0.215599 0.466703 Br\n0.182148 0.817852 0.000000 Br\n0.682148 0.317852 0.500000 Br\n0.817852 0.182148 0.000000 Br\n0.317852 0.682148 0.500000 Br\n0.479759 0.033906 0.094838 N\n0.966094 0.520241 0.905162 N\n0.466094 0.020241 0.594838 N\n0.979759 0.533906 0.405162 N\n0.520241 0.966094 0.905162 N\n0.033906 0.479759 0.094838 N\n0.533906 0.979759 0.405162 N\n0.020241 0.466094 0.594838 N\n0.451792 0.830263 0.167145 N\n0.169737 0.548208 0.832855 N\n0.669737 0.048208 0.667145 N\n0.951792 0.330263 0.332855 N\n0.548208 0.169737 0.832855 N\n0.830263 0.451792 0.167145 N\n0.330263 0.951792 0.332855 N\n0.048208 0.669737 0.667145 N\n0.435493 0.435493 0.139984 O\n0.564507 0.564507 0.860016 O\n0.064507 0.064507 0.639984 O\n0.935493 0.935493 0.360016 O\n",
"nsites": 84,
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"elements": [
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"H",
"C",
"S",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-H-N-O-S-Sb",
"density": 2.2975331064806603,
"density_atomic": 0.054851845698692364,
"volume": 1531.397876042711,
"volume_molar": 10.978920915588377,
"formula_full": "Sb4 H32 C8 S8 Br12 N16 O4",
"formula_reduced": "SbH8C2S2Br3N4O",
"formula_anonymous": "ABC2D2E3F4G8",
"energy": -438.39017466000007,
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"updated_at": "2021-11-28T01:36:17.416000Z",
"spacegroup": 64
},
{
"id": "mp-1220956",
"created_at": "2022-09-04T14:45:15.800624Z",
"structure_string": "Na8 Zr3 Ti3 Mn2 Si8 O34 F2\n1.0\n5.595409 0.000000 0.000000\n-0.020564 7.146003 0.000000\n-1.443804 -0.073810 18.184612\nNa Zr Ti Mn Si O F\n8 3 3 2 8 34 2\ndirect\n0.632588 0.610613 0.426826 Na\n0.874650 0.616331 0.067792 Na\n0.368875 0.385204 0.568748 Na\n0.131614 0.389332 0.927050 Na\n0.745285 0.841255 0.249914 Na\n0.245226 0.159535 0.753083 Na\n0.254417 0.609042 0.250502 Na\n0.752730 0.389995 0.751961 Na\n0.621542 0.124191 0.422096 Zr\n0.882473 0.118770 0.072221 Zr\n0.378839 0.878080 0.574326 Zr\n0.241298 0.111039 0.248114 Ti\n0.736818 0.890694 0.750657 Ti\n0.122087 0.874424 0.920318 Ti\n0.745017 0.360241 0.251032 Mn\n0.245554 0.637269 0.752612 Mn\n0.113809 0.387583 0.395687 Si\n0.388082 0.386360 0.103762 Si\n0.887532 0.612865 0.606556 Si\n0.612346 0.617554 0.896409 Si\n0.115837 0.842512 0.395847 Si\n0.380857 0.842099 0.102552 Si\n0.882816 0.157223 0.605757 Si\n0.611108 0.154440 0.897752 Si\n0.351575 0.908437 0.450293 O\n0.147184 0.905457 0.048796 O\n0.647285 0.093016 0.552228 O\n0.853847 0.087441 0.947762 O\n0.136622 0.917407 0.311985 O\n0.355221 0.918369 0.186769 O\n0.860984 0.079577 0.689544 O\n0.633257 0.087862 0.811842 O\n0.359723 0.322103 0.441493 O\n0.141641 0.324498 0.057321 O\n0.641864 0.676248 0.560640 O\n0.865028 0.688519 0.938391 O\n0.879286 0.327148 0.437797 O\n0.627096 0.326088 0.063938 O\n0.125892 0.670814 0.565876 O\n0.369532 0.690521 0.933255 O\n0.551027 0.131746 0.312063 O\n0.942390 0.141028 0.187532 O\n0.442591 0.860502 0.689695 O\n0.047700 0.870144 0.820928 O\n0.086822 0.312021 0.310088 O\n0.409235 0.309598 0.189283 O\n0.914514 0.692381 0.692254 O\n0.587317 0.682252 0.809263 O\n0.133733 0.615657 0.390748 O\n0.376928 0.614530 0.110724 O\n0.875553 0.384610 0.613707 O\n0.617818 0.386157 0.897046 O\n0.860149 0.901623 0.423801 O\n0.640860 0.902323 0.077547 O\n0.140126 0.096283 0.579065 O\n0.351920 0.082884 0.921524 O\n0.630786 0.547534 0.303412 O\n0.129849 0.449393 0.803389 O\n0.895894 0.567307 0.189120 F\n0.397352 0.431871 0.689307 F\n",
"nsites": 60,
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"elements": [
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"Ti",
"Mn",
"Si",
"O",
"F"
],
"chemical_system": "F-Mn-Na-O-Si-Ti-Zr",
"density": 3.4661222286214692,
"density_atomic": 0.08251866249073671,
"volume": 727.108246655542,
"volume_molar": 7.297913681860788,
"formula_full": "Na8 Zr3 Ti3 Mn2 Si8 O34 F2",
"formula_reduced": "Na8Zr3Ti3Mn2Si8(O17F)2",
"formula_anonymous": "A2B2C3D3E8F8G34",
"energy": -478.09525285,
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"updated_at": "2021-11-28T01:36:58.185000Z",
"spacegroup": 1
},
{
"id": "mp-707645",
"created_at": "2022-09-04T14:43:09.614051Z",
"structure_string": "Na4 Ca6 B10 H4 S4 Cl2 O36\n1.0\n3.958870 5.115810 0.000000\n-3.958870 5.115810 0.000000\n0.000000 1.044184 18.953031\nNa Ca B H S Cl O\n4 6 10 4 4 2 36\ndirect\n0.118163 0.580602 0.578103 Na\n0.419398 0.881837 0.921897 Na\n0.881837 0.419398 0.421897 Na\n0.580602 0.118163 0.078103 Na\n0.389965 0.610035 0.750000 Ca\n0.610035 0.389965 0.250000 Ca\n0.827681 0.345820 0.902918 Ca\n0.654180 0.172319 0.597082 Ca\n0.172319 0.654180 0.097082 Ca\n0.345820 0.827681 0.402918 Ca\n0.153653 0.185712 0.681873 B\n0.814288 0.846347 0.818127 B\n0.846347 0.814288 0.318127 B\n0.185712 0.153653 0.181873 B\n0.968892 0.506228 0.751541 B\n0.493772 0.031108 0.748459 B\n0.031108 0.493772 0.248459 B\n0.506228 0.968892 0.251541 B\n0.810728 0.189272 0.750000 B\n0.189272 0.810728 0.250000 B\n0.880499 0.806203 0.924278 H\n0.193797 0.119501 0.575722 H\n0.119501 0.193797 0.075722 H\n0.806203 0.880499 0.424278 H\n0.339153 0.383950 0.922691 S\n0.616050 0.660847 0.577309 S\n0.660847 0.616050 0.077309 S\n0.383950 0.339153 0.422691 S\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.440217 0.530081 0.875473 O\n0.469919 0.559783 0.624527 O\n0.559783 0.469919 0.124527 O\n0.530081 0.440217 0.375473 O\n0.217194 0.506039 0.980684 O\n0.493961 0.782806 0.519316 O\n0.782806 0.493961 0.019316 O\n0.506039 0.217194 0.480684 O\n0.202850 0.289557 0.879333 O\n0.710443 0.797150 0.620667 O\n0.797150 0.710443 0.120667 O\n0.289557 0.202850 0.379333 O\n0.520170 0.209711 0.949760 O\n0.790289 0.479830 0.550240 O\n0.479830 0.790289 0.050240 O\n0.209711 0.520170 0.449760 O\n0.982623 0.699525 0.774441 O\n0.300475 0.017377 0.725559 O\n0.017377 0.300475 0.225559 O\n0.699525 0.982623 0.274441 O\n0.141319 0.404043 0.710127 O\n0.595957 0.858681 0.789873 O\n0.858681 0.595957 0.289873 O\n0.404043 0.141319 0.210127 O\n0.943614 0.141380 0.685354 O\n0.858620 0.056386 0.814646 O\n0.056386 0.858620 0.314646 O\n0.141380 0.943614 0.185354 O\n0.802087 0.415302 0.771592 O\n0.584698 0.197913 0.728408 O\n0.197913 0.584698 0.228408 O\n0.415302 0.802087 0.271592 O\n0.249675 0.198648 0.610250 O\n0.801352 0.750325 0.889750 O\n0.750325 0.801352 0.389750 O\n0.198648 0.249675 0.110250 O\n",
"nsites": 66,
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"elements": [
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"B",
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"S",
"Cl",
"O"
],
"chemical_system": "B-Ca-Cl-H-Na-O-S",
"density": 2.638229174741521,
"density_atomic": 0.08597053307126847,
"volume": 767.7049058807958,
"volume_molar": 7.004889402055612,
"formula_full": "Na4 Ca6 B10 H4 S4 Cl2 O36",
"formula_reduced": "Na2Ca3B5H2S2ClO18",
"formula_anonymous": "AB2C2D2E3F5G18",
"energy": -470.32176852,
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"updated_at": "2021-11-28T01:36:04.875000Z",
"spacegroup": 15
},
{
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"structure_string": "K6 Na3 Ti2 Al2 Si8 Cl3 O26\n1.0\n9.248230 0.000000 0.000000\n-1.395244 9.679032 0.000000\n-1.389282 -4.391987 8.626048\nK Na Ti Al Si Cl O\n6 3 2 2 8 3 26\ndirect\n0.892823 0.650990 0.933934 K\n0.892540 0.933957 0.651167 K\n0.107177 0.349010 0.066066 K\n0.107460 0.066043 0.348833 K\n0.636996 0.892584 0.908638 K\n0.363004 0.107416 0.091362 K\n0.500004 0.616646 0.383484 Na\n0.499996 0.383354 0.616516 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000032 0.684044 0.316015 Al\n0.999968 0.315956 0.683985 Al\n0.735771 0.176695 0.372583 Si\n0.735922 0.372542 0.176601 Si\n0.264229 0.823305 0.627417 Si\n0.264078 0.627458 0.823399 Si\n0.723118 0.838427 0.264610 Si\n0.723011 0.264290 0.838412 Si\n0.276882 0.161573 0.735390 Si\n0.276989 0.735710 0.161588 Si\n0.275927 0.381953 0.381885 Cl\n0.724073 0.618047 0.618115 Cl\n0.000000 0.000000 0.000000 Cl\n0.646207 0.701824 0.090389 O\n0.646018 0.090430 0.701451 O\n0.353793 0.298176 0.909611 O\n0.353982 0.909570 0.298549 O\n0.747184 0.002251 0.246472 O\n0.747149 0.246579 0.002331 O\n0.252816 0.997749 0.753528 O\n0.252851 0.753421 0.997669 O\n0.890379 0.818347 0.324350 O\n0.890403 0.324452 0.818430 O\n0.109621 0.181653 0.675650 O\n0.109597 0.675548 0.181570 O\n0.897870 0.261383 0.494961 O\n0.897891 0.495054 0.261441 O\n0.102130 0.738617 0.505039 O\n0.102109 0.504946 0.738559 O\n0.631087 0.862081 0.400812 O\n0.631088 0.400829 0.862192 O\n0.368913 0.137919 0.599188 O\n0.368912 0.599171 0.137808 O\n0.702902 0.268968 0.268961 O\n0.297098 0.731032 0.731039 O\n0.596925 0.164752 0.454000 O\n0.596868 0.453824 0.164731 O\n0.403075 0.835248 0.546000 O\n0.403132 0.546176 0.835269 O\n",
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],
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"formula_full": "K6 Na3 Ti2 Al2 Si8 Cl3 O26",
"formula_reduced": "K6Na3Ti2Al2Si8Cl3O26",
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"updated_at": "2021-11-28T01:35:28.755000Z",
"spacegroup": 2
},
{
"id": "mp-1227900",
"created_at": "2022-09-04T14:40:43.358401Z",
"structure_string": "Ba1 Li1 Mg2 Al1 Si3 O10 F2\n1.0\n5.307475 0.000000 0.000000\n-2.645108 4.613770 0.000000\n-0.836582 -1.629474 10.131744\nBa Li Mg Al Si O F\n1 1 2 1 3 10 2\ndirect\n0.991104 0.991399 0.973505 Ba\n0.492289 0.498945 0.505758 Li\n0.168113 0.834958 0.502954 Mg\n0.839019 0.170564 0.502151 Mg\n0.258408 0.591651 0.767534 Al\n0.595715 0.259167 0.778551 Si\n0.741956 0.408174 0.229246 Si\n0.409024 0.745702 0.229362 Si\n0.487280 0.477643 0.844493 O\n0.535521 0.535922 0.164347 O\n0.942411 0.414344 0.846673 O\n0.424416 0.960985 0.847441 O\n0.053265 0.569868 0.162100 O\n0.569648 0.052450 0.160326 O\n0.194219 0.535759 0.599754 O\n0.541388 0.196661 0.619189 O\n0.799007 0.458732 0.385516 O\n0.464952 0.811908 0.385809 O\n0.873975 0.875834 0.603597 F\n0.118288 0.109336 0.391694 F\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Al-Ba-F-Li-Mg-O-Si",
"density": 3.3606024027246675,
"density_atomic": 0.08061240716443921,
"volume": 248.1007664143127,
"volume_molar": 7.470488690054358,
"formula_full": "Ba1 Li1 Mg2 Al1 Si3 O10 F2",
"formula_reduced": "BaLiMg2AlSi3(O5F)2",
"formula_anonymous": "ABCD2E2F3G10",
"energy": -147.50339049000002,
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"updated_at": "2021-11-28T01:35:09.271000Z",
"spacegroup": 1
},
{
"id": "mp-1221911",
"created_at": "2022-09-04T14:46:59.519957Z",
"structure_string": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2\n1.0\n10.461503 0.000000 0.000000\n0.000000 7.431617 0.000000\n0.000000 3.812119 10.401903\nNa Ca Zr Nb Si O F\n4 8 2 2 8 34 2\ndirect\n0.421779 0.957499 0.361835 Na\n0.921779 0.042501 0.638165 Na\n0.568638 0.300573 0.125964 Na\n0.068638 0.699427 0.874036 Na\n0.221383 0.299528 0.158547 Ca\n0.721383 0.700472 0.841453 Ca\n0.190487 0.802354 0.149899 Ca\n0.690487 0.197646 0.850101 Ca\n0.426968 0.433273 0.367312 Ca\n0.926968 0.566727 0.632688 Ca\n0.805775 0.955677 0.349365 Ca\n0.305775 0.044323 0.650635 Ca\n0.809173 0.458648 0.349604 Zr\n0.309173 0.541352 0.650396 Zr\n0.557638 0.794529 0.116813 Nb\n0.057638 0.205471 0.883187 Nb\n0.124848 0.372016 0.430577 Si\n0.624848 0.627984 0.569423 Si\n0.878415 0.804388 0.076627 Si\n0.378415 0.195612 0.923373 Si\n0.125030 0.935472 0.434271 Si\n0.625030 0.064528 0.565729 Si\n0.874013 0.382531 0.070534 Si\n0.374013 0.617469 0.929466 Si\n0.002865 0.937683 0.015902 O\n0.502865 0.062317 0.984098 O\n0.007896 0.312185 0.017928 O\n0.507896 0.687815 0.982072 O\n0.980732 0.859863 0.470542 O\n0.480732 0.140137 0.529458 O\n0.976828 0.408278 0.466151 O\n0.476828 0.591722 0.533849 O\n0.900991 0.614291 0.034742 O\n0.400991 0.385709 0.965258 O\n0.739916 0.891884 0.014716 O\n0.239916 0.108116 0.985284 O\n0.168752 0.975819 0.287362 O\n0.668752 0.024181 0.712638 O\n0.142760 0.136054 0.471554 O\n0.642760 0.863946 0.528446 O\n0.400830 0.267938 0.249865 O\n0.900830 0.732062 0.750135 O\n0.880065 0.738380 0.233670 O\n0.380065 0.261620 0.766330 O\n0.734869 0.589172 0.473284 O\n0.234869 0.410828 0.526716 O\n0.747943 0.355811 0.995851 O\n0.247943 0.644189 0.004149 O\n0.641262 0.567473 0.230047 O\n0.141262 0.432527 0.769953 O\n0.163468 0.487236 0.283702 O\n0.663468 0.512764 0.716298 O\n0.863322 0.291565 0.228947 O\n0.363322 0.708435 0.771053 O\n0.731057 0.198950 0.460240 O\n0.231057 0.801050 0.539760 O\n0.410086 0.762982 0.212160 O\n0.910086 0.237018 0.787840 O\n0.626211 0.962125 0.227295 F\n0.126211 0.037875 0.772705 F\n",
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}
]
}