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{
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"results": [
{
"id": "mp-1110746",
"created_at": "2022-09-04T14:43:10.587217Z",
"structure_string": "Rb2 Li1 Sb1 I6\n1.0\n0.000000 6.012260 6.012260\n6.012260 0.000000 6.012260\n6.012260 6.012260 0.000000\nRb Li Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.748396 0.251604 0.251604 I\n0.251604 0.251604 0.748396 I\n0.251604 0.748396 0.748396 I\n0.251604 0.748396 0.251604 I\n0.748396 0.251604 0.748396 I\n0.748396 0.748396 0.251604 I\n",
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"spacegroup": 225
},
{
"id": "mp-1235800",
"created_at": "2022-09-04T14:42:55.494270Z",
"structure_string": "Rb2 Li1 Sb2 O4\n1.0\n6.576516 0.854839 -1.913652\n-2.829394 5.018950 -1.403181\n0.051292 -0.871639 5.865310\nRb Li Sb O\n2 1 2 4\ndirect\n0.250000 0.684556 0.315444 Rb\n0.750000 0.349651 0.650349 Rb\n0.250000 0.375044 0.624956 Li\n0.750000 0.932519 0.067481 Sb\n0.250000 0.058532 0.941468 Sb\n0.299140 0.188674 0.319173 O\n0.200860 0.680827 0.811326 O\n0.613291 0.178786 0.047546 O\n0.886709 0.952454 0.821214 O\n",
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],
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"volume": 195.4518971729094,
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"formula_full": "Rb2 Li1 Sb2 O4",
"formula_reduced": "Rb2Li(SbO2)2",
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"updated_at": "2021-11-28T01:35:53.858000Z",
"spacegroup": 5
},
{
"id": "mp-1235508",
"created_at": "2022-09-04T14:42:13.567402Z",
"structure_string": "Rb2 Li1 Sb2 O4\n1.0\n7.477224 -0.051472 -2.998725\n-3.672030 4.396150 0.125581\n-0.851102 0.300446 6.322951\nRb Li Sb O\n2 1 2 4\ndirect\n0.226835 0.656388 0.397903 Rb\n0.738196 0.484785 0.615428 Rb\n0.081045 0.253822 0.938183 Li\n0.665310 0.858310 0.082664 Sb\n0.381903 0.137130 0.923619 Sb\n0.258512 0.101660 0.132549 O\n0.306870 0.686602 0.911902 O\n0.711108 0.248677 0.168701 O\n0.737364 0.999709 0.818634 O\n",
"nsites": 9,
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"elements": [
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],
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"density_atomic": 0.045349553781996246,
"volume": 198.45840255153726,
"volume_molar": 13.279382613001117,
"formula_full": "Rb2 Li1 Sb2 O4",
"formula_reduced": "Rb2Li(SbO2)2",
"formula_anonymous": "AB2C2D4",
"energy": -47.21732325,
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"updated_at": "2021-11-28T01:35:39.795000Z",
"spacegroup": 1
},
{
"id": "mp-1113928",
"created_at": "2022-09-04T14:44:14.236383Z",
"structure_string": "Rb2 Li1 Sc1 Cl6\n1.0\n0.000000 5.116178 5.116178\n5.116178 0.000000 5.116178\n5.116178 5.116178 0.000000\nRb Li Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.755364 0.244636 0.244636 Cl\n0.244636 0.244636 0.755364 Cl\n0.244636 0.755364 0.755364 Cl\n0.244636 0.755364 0.244636 Cl\n0.755364 0.244636 0.755364 Cl\n0.755364 0.755364 0.244636 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Li-Rb-Sc",
"density": 2.7003539473851186,
"density_atomic": 0.03733645382236306,
"volume": 267.83475601559127,
"volume_molar": 16.129386011461474,
"formula_full": "Rb2 Li1 Sc1 Cl6",
"formula_reduced": "Rb2LiScCl6",
"formula_anonymous": "ABC2D6",
"energy": -45.30228340999999,
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"updated_at": "2021-11-28T01:36:30.146000Z",
"spacegroup": 225
},
{
"id": "mp-1113703",
"created_at": "2022-09-04T14:39:14.243494Z",
"structure_string": "Rb2 Li1 Sc1 F6\n1.0\n0.000000 4.233526 4.233526\n4.233526 0.000000 4.233526\n4.233526 4.233526 0.000000\nRb Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.241899 0.241899 0.758101 F\n0.241899 0.758101 0.758101 F\n0.758101 0.758101 0.241899 F\n0.241899 0.758101 0.241899 F\n0.758101 0.241899 0.758101 F\n0.758101 0.241899 0.241899 F\n",
"nsites": 10,
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"elements": [
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"Sc",
"F"
],
"chemical_system": "F-Li-Rb-Sc",
"density": 3.6856497272393502,
"density_atomic": 0.06589664598572696,
"volume": 151.75279182139215,
"volume_molar": 9.138766730714005,
"formula_full": "Rb2 Li1 Sc1 F6",
"formula_reduced": "Rb2LiScF6",
"formula_anonymous": "ABC2D6",
"energy": -57.51716246,
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"updated_at": "2021-11-28T01:34:31.873000Z",
"spacegroup": 225
},
{
"id": "mp-1236236",
"created_at": "2022-09-04T14:43:13.991037Z",
"structure_string": "Rb4 Li1 Se4 O14\n1.0\n6.993131 4.114931 -0.392310\n6.882615 -3.901066 -0.275205\n-0.172640 0.116920 -8.116994\nRb Li Se O\n4 1 4 14\ndirect\n0.184635 0.523675 0.354783 Rb\n0.486733 0.829213 0.143879 Rb\n0.738239 0.525434 0.582380 Rb\n0.577871 0.192926 0.867885 Rb\n0.087155 0.315324 0.831035 Li\n0.705546 0.077527 0.374972 Se\n0.925866 0.295375 0.113562 Se\n0.260633 0.928988 0.651953 Se\n0.092188 0.698166 0.880692 Se\n0.620929 0.249010 0.523369 O\n0.819534 0.375171 0.927445 O\n0.324780 0.789199 0.486404 O\n0.263946 0.638663 0.009912 O\n0.547617 0.154149 0.225742 O\n0.840036 0.486222 0.244977 O\n0.433663 0.863671 0.780817 O\n0.147527 0.516310 0.747513 O\n0.747967 0.862307 0.448431 O\n0.157555 0.227245 0.062037 O\n0.141799 0.167559 0.622036 O\n0.874258 0.797093 0.957600 O\n0.920181 0.039662 0.296369 O\n0.068006 0.905442 0.757874 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Li-O-Rb-Se",
"density": 3.2668938348748684,
"density_atomic": 0.05091972443323226,
"volume": 451.69136824686495,
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"formula_full": "Rb4 Li1 Se4 O14",
"formula_reduced": "Rb4Li(Se2O7)2",
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"spacegroup": 1
},
{
"id": "mp-1235126",
"created_at": "2022-09-04T14:47:11.043887Z",
"structure_string": "Rb4 Li1 Se4 O14\n1.0\n7.058862 3.689953 -0.349172\n7.375046 -4.254082 -0.261121\n-0.201936 0.088312 -7.917225\nRb Li Se O\n4 1 4 14\ndirect\n0.205388 0.456914 0.316408 Rb\n0.468369 0.804362 0.132139 Rb\n0.802131 0.499146 0.657140 Rb\n0.527518 0.204962 0.836194 Rb\n0.067090 0.802434 0.578502 Li\n0.738813 0.077412 0.337255 Se\n0.906214 0.299227 0.129620 Se\n0.276337 0.976188 0.654249 Se\n0.064267 0.694088 0.885421 Se\n0.650758 0.241416 0.484638 O\n0.738151 0.370642 0.983340 O\n0.293785 0.823314 0.506119 O\n0.261645 0.611971 0.006854 O\n0.570195 0.108251 0.202476 O\n0.834387 0.449912 0.287547 O\n0.488194 0.875656 0.762853 O\n0.132440 0.569689 0.701215 O\n0.869593 0.862658 0.410526 O\n0.137722 0.209641 0.062750 O\n0.235360 0.172146 0.563033 O\n0.882548 0.685707 0.983144 O\n0.934997 0.083832 0.219485 O\n0.984927 0.912097 0.815757 O\n",
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"formula_full": "Rb4 Li1 Se4 O14",
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},
{
"id": "mp-1235191",
"created_at": "2022-09-04T14:41:45.258659Z",
"structure_string": "Rb4 Li1 Se4 O14\n1.0\n7.061782 4.174646 0.005619\n7.061782 -4.174646 0.005619\n-0.543667 0.000000 -7.809771\nRb Li Se O\n4 1 4 14\ndirect\n0.178510 0.515951 0.339783 Rb\n0.484049 0.821490 0.160217 Rb\n0.777324 0.537758 0.605300 Rb\n0.462242 0.222676 0.894700 Rb\n0.868766 0.131234 0.750000 Li\n0.722362 0.073561 0.382653 Se\n0.926439 0.277638 0.117347 Se\n0.289940 0.912896 0.643533 Se\n0.087104 0.710060 0.856467 Se\n0.688328 0.205105 0.568358 O\n0.794894 0.311672 0.931642 O\n0.350433 0.759229 0.481647 O\n0.240770 0.649567 0.018353 O\n0.520614 0.164142 0.267616 O\n0.835858 0.479386 0.232384 O\n0.461672 0.859327 0.787700 O\n0.140673 0.538328 0.712300 O\n0.785640 0.851618 0.427120 O\n0.148382 0.214360 0.072880 O\n0.170185 0.134337 0.600459 O\n0.865663 0.829815 0.899541 O\n0.898406 0.101594 0.250000 O\n0.101744 0.898256 0.750000 O\n",
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"formula_full": "Rb4 Li1 Se4 O14",
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},
{
"id": "mp-1235685",
"created_at": "2022-09-04T14:41:03.989696Z",
"structure_string": "Rb4 Li1 Se4 O14\n1.0\n7.454005 4.116115 0.300314\n7.454005 -4.116115 0.300314\n-0.881009 0.000000 -7.574599\nRb Li Se O\n4 1 4 14\ndirect\n0.066014 0.607865 0.318660 Rb\n0.392135 0.933986 0.181340 Rb\n0.874128 0.425505 0.674456 Rb\n0.574495 0.125872 0.825544 Rb\n0.495416 0.504584 0.250000 Li\n0.696740 0.122332 0.365177 Se\n0.877668 0.303260 0.134823 Se\n0.326655 0.846068 0.637548 Se\n0.153932 0.673345 0.862452 Se\n0.680556 0.242175 0.560205 O\n0.757824 0.319444 0.939795 O\n0.355042 0.705432 0.455773 O\n0.294567 0.644958 0.044227 O\n0.507688 0.260217 0.229762 O\n0.739783 0.492312 0.270238 O\n0.508610 0.773287 0.783467 O\n0.226713 0.491390 0.716533 O\n0.700602 0.924463 0.387466 O\n0.075537 0.299398 0.112534 O\n0.233709 0.063553 0.593927 O\n0.936447 0.766291 0.906073 O\n0.896234 0.103766 0.250000 O\n0.137838 0.862162 0.750000 O\n",
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"formula_full": "Rb4 Li1 Se4 O14",
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{
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"structure_string": "Rb4 Li1 Se4 O14\n1.0\n7.025889 3.817758 0.037610\n7.428014 -4.565024 0.379013\n-0.806645 0.382180 -7.782332\nRb Li Se O\n4 1 4 14\ndirect\n0.291671 0.474951 0.276114 Rb\n0.402501 0.867193 0.155335 Rb\n0.844044 0.397085 0.727024 Rb\n0.548450 0.153614 0.835558 Rb\n0.860115 0.668779 0.477897 Li\n0.714228 0.070950 0.361766 Se\n0.908879 0.318962 0.182273 Se\n0.313160 0.879540 0.652120 Se\n0.092588 0.701155 0.811486 Se\n0.625653 0.254753 0.511227 O\n0.700388 0.400987 0.075204 O\n0.341843 0.753274 0.465101 O\n0.285040 0.587038 0.925760 O\n0.558585 0.109488 0.195580 O\n0.886504 0.454916 0.367154 O\n0.498363 0.793353 0.783301 O\n0.089097 0.584662 0.622769 O\n0.710435 0.907840 0.455809 O\n0.085754 0.299266 0.062853 O\n0.230578 0.092010 0.642043 O\n0.885020 0.801098 0.913437 O\n0.976939 0.113026 0.230484 O\n0.104330 0.895225 0.761373 O\n",
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"formula_full": "Rb4 Li1 Se4 O14",
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},
{
"id": "mp-1235603",
"created_at": "2022-09-04T14:47:36.437919Z",
"structure_string": "Rb4 Li1 Se4 O14\n1.0\n7.209591 3.938543 -0.438196\n7.317954 -4.117087 -0.443833\n-0.033441 -0.006425 -7.773424\nRb Li Se O\n4 1 4 14\ndirect\n0.218488 0.516177 0.363163 Rb\n0.505459 0.806964 0.151790 Rb\n0.781500 0.483835 0.636868 Rb\n0.494524 0.193025 0.848175 Rb\n0.000039 0.999909 0.999943 Li\n0.709210 0.075713 0.364233 Se\n0.910734 0.309350 0.153109 Se\n0.290557 0.924439 0.635870 Se\n0.089326 0.690620 0.846760 Se\n0.630136 0.249387 0.502007 O\n0.731549 0.401088 0.014621 O\n0.369837 0.750702 0.498029 O\n0.268468 0.598789 0.985506 O\n0.542668 0.130172 0.220605 O\n0.906532 0.477991 0.263274 O\n0.457380 0.869845 0.779321 O\n0.093415 0.521646 0.736879 O\n0.796681 0.864620 0.454484 O\n0.117485 0.162013 0.047890 O\n0.203511 0.135387 0.545348 O\n0.882487 0.837963 0.952197 O\n0.908977 0.063072 0.251872 O\n0.091036 0.937291 0.748054 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Se",
"O"
],
"chemical_system": "Li-O-Rb-Se",
"density": 3.2438521614542664,
"density_atomic": 0.05056058338967198,
"volume": 454.89981440163155,
"volume_molar": 11.910742234889135,
"formula_full": "Rb4 Li1 Se4 O14",
"formula_reduced": "Rb4Li(Se2O7)2",
"formula_anonymous": "AB4C4D14",
"energy": -124.40699066,
"energy_per_atom": -5.408999593913044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.78899066,
"band_gap": 0.0766,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.998779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.724000Z",
"spacegroup": 2
},
{
"id": "mp-1235350",
"created_at": "2022-09-04T14:46:19.586282Z",
"structure_string": "Rb4 Li1 Se4 O14\n1.0\n6.810441 3.730382 -0.504886\n7.224646 -4.402140 -0.003325\n-0.287061 0.545522 -8.045943\nRb Li Se O\n4 1 4 14\ndirect\n0.158634 0.597685 0.296420 Rb\n0.509480 0.809996 0.150587 Rb\n0.749335 0.491188 0.674824 Rb\n0.646885 0.110662 0.870849 Rb\n0.307784 0.296794 0.601026 Li\n0.674243 0.115359 0.361660 Se\n0.922901 0.293967 0.175357 Se\n0.281290 0.931520 0.630718 Se\n0.119960 0.662680 0.835735 Se\n0.578863 0.256107 0.540161 O\n0.758607 0.364046 0.038361 O\n0.366607 0.757752 0.478827 O\n0.326952 0.525626 0.926235 O\n0.514687 0.192752 0.221791 O\n0.870621 0.460615 0.323186 O\n0.448829 0.882593 0.767354 O\n0.099376 0.534976 0.673504 O\n0.759951 0.899476 0.389314 O\n0.157414 0.168576 0.099862 O\n0.230130 0.125980 0.549572 O\n0.915048 0.740720 0.974739 O\n0.899638 0.112362 0.284692 O\n0.061096 0.968569 0.726891 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Se",
"O"
],
"chemical_system": "Li-O-Rb-Se",
"density": 3.2308585500492732,
"density_atomic": 0.05035805733722679,
"volume": 456.7292944995603,
"volume_molar": 11.958643916051503,
"formula_full": "Rb4 Li1 Se4 O14",
"formula_reduced": "Rb4Li(Se2O7)2",
"formula_anonymous": "AB4C4D14",
"energy": -125.31229954,
"energy_per_atom": -5.448360849565217,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.69429954,
"band_gap": 0.6187,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9993298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.655000Z",
"spacegroup": 1
}
]
}