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{
"id": "mp-17786",
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"structure_string": "Ba4 Sm8 Te16\n1.0\n4.561343 0.000000 0.000000\n0.000000 13.930433 0.000000\n0.000000 0.000000 16.557691\nBa Sm Te\n4 8 16\ndirect\n0.750000 0.260424 0.831791 Ba\n0.250000 0.739576 0.168209 Ba\n0.750000 0.760424 0.668209 Ba\n0.250000 0.239576 0.331791 Ba\n0.250000 0.080397 0.596999 Sm\n0.750000 0.919603 0.403001 Sm\n0.250000 0.580397 0.903001 Sm\n0.750000 0.419603 0.096999 Sm\n0.750000 0.937356 0.891106 Sm\n0.250000 0.062644 0.108894 Sm\n0.750000 0.437356 0.608894 Sm\n0.250000 0.562644 0.391106 Sm\n0.250000 0.473869 0.216352 Te\n0.750000 0.526131 0.783648 Te\n0.250000 0.973869 0.283648 Te\n0.750000 0.026131 0.716352 Te\n0.250000 0.369855 0.971109 Te\n0.750000 0.630145 0.028891 Te\n0.250000 0.869855 0.528891 Te\n0.750000 0.130145 0.471109 Te\n0.250000 0.294218 0.666642 Te\n0.750000 0.705782 0.333358 Te\n0.250000 0.794218 0.833358 Te\n0.750000 0.205782 0.166642 Te\n0.750000 0.410429 0.421664 Te\n0.250000 0.589571 0.578336 Te\n0.750000 0.910429 0.078336 Te\n0.250000 0.089571 0.921664 Te\n",
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"formula_full": "Ba4 Sm8 Te16",
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{
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"structure_string": "Ho4 Ga4 Pd4\n1.0\n4.485894 0.000000 0.000000\n0.000000 6.902395 0.000000\n0.000000 0.000000 7.639618\nHo Ga Pd\n4 4 4\ndirect\n0.250000 0.015505 0.799241 Ho\n0.250000 0.515505 0.700759 Ho\n0.750000 0.984495 0.200759 Ho\n0.750000 0.484495 0.299241 Ho\n0.250000 0.182823 0.421541 Ga\n0.250000 0.682823 0.078459 Ga\n0.750000 0.817177 0.578459 Ga\n0.750000 0.317177 0.921541 Ga\n0.250000 0.784954 0.407543 Pd\n0.250000 0.284954 0.092457 Pd\n0.750000 0.215046 0.592457 Pd\n0.750000 0.715046 0.907543 Pd\n",
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"updated_at": "2021-11-28T01:37:48.116000Z",
"spacegroup": 62
},
{
"id": "mp-568301",
"created_at": "2022-09-04T14:46:57.814632Z",
"structure_string": "Bi2 Br6\n1.0\n6.369353 3.716769 0.000000\n-6.369353 3.716769 0.000000\n0.000000 2.532673 7.090146\nBi Br\n2 6\ndirect\n0.831029 0.168971 0.000000 Bi\n0.168971 0.831029 0.000000 Bi\n0.955667 0.587932 0.754861 Br\n0.412068 0.044333 0.245139 Br\n0.587932 0.955667 0.754861 Br\n0.044333 0.412068 0.245139 Br\n0.229627 0.229627 0.779550 Br\n0.770373 0.770373 0.220450 Br\n",
"nsites": 8,
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"elements": [
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"density": 4.438965233712183,
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"formula_full": "Bi2 Br6",
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"spacegroup": 12
},
{
"id": "mp-1187648",
"created_at": "2022-09-04T14:47:05.593838Z",
"structure_string": "Tm3 Ge1\n1.0\n-2.221329 2.221329 5.086106\n2.221329 -2.221329 5.086106\n2.221329 2.221329 -5.086106\nTm Ge\n3 1\ndirect\n0.750000 0.250000 0.500000 Tm\n0.250000 0.750000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Ge\n",
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"updated_at": "2021-11-28T01:37:48.123000Z",
"spacegroup": 139
},
{
"id": "mp-1211307",
"created_at": "2022-09-04T14:46:55.562201Z",
"structure_string": "Li6 Ge2 O8\n1.0\n0.000000 0.000000 -4.922129\n0.000000 -5.595547 0.000000\n-6.432064 0.000000 0.000000\nLi Ge O\n6 2 8\ndirect\n0.488798 0.832075 0.744404 Li\n0.988798 0.167925 0.755596 Li\n0.988798 0.167925 0.244404 Li\n0.488798 0.832075 0.255596 Li\n0.489472 0.331694 0.000000 Li\n0.989472 0.668306 0.500000 Li\n0.000832 0.668886 0.000000 Ge\n0.500832 0.331114 0.500000 Ge\n0.899484 0.825308 0.772059 O\n0.399484 0.174692 0.727941 O\n0.399484 0.174692 0.272059 O\n0.899484 0.825308 0.227941 O\n0.894129 0.366758 0.000000 O\n0.394129 0.633242 0.500000 O\n0.363004 0.672187 0.000000 O\n0.863004 0.327813 0.500000 O\n",
"nsites": 16,
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"elements": [
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"Ge",
"O"
],
"chemical_system": "Ge-Li-O",
"density": 2.9519235005700057,
"density_atomic": 0.09031795300832249,
"volume": 177.15193344257543,
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"formula_full": "Li6 Ge2 O8",
"formula_reduced": "Li3GeO4",
"formula_anonymous": "AB3C4",
"energy": -93.61259524,
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"updated_at": "2021-11-28T01:37:48.125000Z",
"spacegroup": 31
},
{
"id": "mp-1037821",
"created_at": "2022-09-04T14:46:42.111584Z",
"structure_string": "Mg30 Mn1 Nb1 O32\n1.0\n8.565594 0.000000 0.000000\n0.000000 8.565594 0.000000\n0.000000 0.000000 8.564999\nMg Mn Nb O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249012 0.249012 0.000000 Mg\n0.750988 0.249012 0.000000 Mg\n0.249012 0.750988 0.000000 Mg\n0.750988 0.750988 0.000000 Mg\n0.249967 0.249967 0.500000 Mg\n0.750033 0.249967 0.500000 Mg\n0.249967 0.750033 0.500000 Mg\n0.750033 0.750033 0.500000 Mg\n0.250693 0.000000 0.250673 Mg\n0.749307 0.000000 0.250673 Mg\n0.248263 0.500000 0.251608 Mg\n0.751737 0.500000 0.251608 Mg\n0.250693 0.000000 0.749327 Mg\n0.749307 0.000000 0.749327 Mg\n0.248263 0.500000 0.748392 Mg\n0.751737 0.500000 0.748392 Mg\n0.000000 0.250693 0.250673 Mg\n0.500000 0.248263 0.251608 Mg\n0.000000 0.749307 0.250673 Mg\n0.500000 0.751737 0.251608 Mg\n0.000000 0.250693 0.749327 Mg\n0.500000 0.248263 0.748392 Mg\n0.000000 0.749307 0.749327 Mg\n0.500000 0.751737 0.748392 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.256310 O\n0.500000 0.000000 0.251863 O\n0.000000 0.500000 0.251863 O\n0.500000 0.500000 0.262209 O\n0.000000 0.000000 0.743690 O\n0.500000 0.000000 0.748137 O\n0.000000 0.500000 0.748137 O\n0.500000 0.500000 0.737791 O\n0.250041 0.250041 0.249453 O\n0.749959 0.250041 0.249453 O\n0.250041 0.749959 0.249453 O\n0.749959 0.749959 0.249453 O\n0.250041 0.250041 0.750547 O\n0.749959 0.250041 0.750547 O\n0.250041 0.749959 0.750547 O\n0.749959 0.749959 0.750547 O\n0.254767 0.000000 0.000000 O\n0.745233 0.000000 0.000000 O\n0.238281 0.500000 0.000000 O\n0.761719 0.500000 0.000000 O\n0.250381 0.000000 0.500000 O\n0.749619 0.000000 0.500000 O\n0.248842 0.500000 0.500000 O\n0.751158 0.500000 0.500000 O\n0.000000 0.254767 0.000000 O\n0.500000 0.238281 0.000000 O\n0.000000 0.745233 0.000000 O\n0.500000 0.761719 0.000000 O\n0.000000 0.250381 0.500000 O\n0.500000 0.248842 0.500000 O\n0.000000 0.749619 0.500000 O\n0.500000 0.751158 0.500000 O\n",
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{
"id": "mp-1215998",
"created_at": "2022-09-04T14:46:54.719899Z",
"structure_string": "Yb2 Cu6 Te6\n1.0\n7.580089 -3.714791 0.000000\n7.580089 3.714791 0.000000\n5.759573 0.000000 6.171284\nYb Cu Te\n2 6 6\ndirect\n0.666422 0.666422 0.666422 Yb\n0.333578 0.333578 0.333578 Yb\n0.873864 0.533373 0.217308 Cu\n0.533373 0.217308 0.873864 Cu\n0.217308 0.873864 0.533373 Cu\n0.782692 0.126136 0.466627 Cu\n0.466627 0.782692 0.126136 Cu\n0.126136 0.466627 0.782692 Cu\n0.085227 0.761357 0.410711 Te\n0.410711 0.085227 0.761357 Te\n0.761357 0.410711 0.085227 Te\n0.238643 0.589289 0.914773 Te\n0.589289 0.914773 0.238643 Te\n0.914773 0.238643 0.589289 Te\n",
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],
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"density": 7.13315872366261,
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"formula_full": "Yb2 Cu6 Te6",
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{
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"structure_string": "K6 Na2 Fe7 O38\n1.0\n6.735458 -6.552412 0.000000\n6.735458 6.552412 0.000000\n0.361118 0.000000 9.389893\nK Na Fe O\n6 2 7 38\ndirect\n0.357963 0.357536 0.865419 K\n0.357536 0.865419 0.357963 K\n0.642037 0.134581 0.642464 K\n0.865419 0.357963 0.357536 K\n0.642464 0.642037 0.134581 K\n0.134581 0.642464 0.642037 K\n0.246493 0.246493 0.246493 Na\n0.753507 0.753507 0.753507 Na\n0.234840 0.765160 0.000000 Fe\n0.765160 0.000000 0.234840 Fe\n0.000000 0.234840 0.765160 Fe\n0.000000 0.000000 0.000000 Fe\n0.751284 0.248716 0.000000 Fe\n0.248716 0.000000 0.751284 Fe\n0.000000 0.751284 0.248716 Fe\n0.109410 0.467223 0.108554 O\n0.467223 0.108554 0.109410 O\n0.890590 0.891446 0.532777 O\n0.108554 0.109410 0.467223 O\n0.532777 0.890590 0.891446 O\n0.891446 0.532777 0.890590 O\n0.433802 0.414610 0.249691 O\n0.414610 0.249691 0.433802 O\n0.566198 0.750309 0.585390 O\n0.249691 0.433802 0.414610 O\n0.585390 0.566198 0.750309 O\n0.750309 0.585390 0.566198 O\n0.399944 0.399944 0.399944 O\n0.600056 0.600056 0.600056 O\n0.900065 0.397403 0.905036 O\n0.397403 0.905036 0.900065 O\n0.099935 0.094964 0.602597 O\n0.905036 0.900065 0.397403 O\n0.602597 0.099935 0.094964 O\n0.094964 0.602597 0.099935 O\n0.367131 0.129282 0.706515 O\n0.129282 0.706515 0.367131 O\n0.632869 0.293485 0.870718 O\n0.706515 0.367131 0.129282 O\n0.870718 0.632869 0.293485 O\n0.293485 0.870718 0.632869 O\n0.134694 0.133905 0.886709 O\n0.133905 0.886709 0.134694 O\n0.865306 0.113291 0.866095 O\n0.886709 0.134694 0.133905 O\n0.866095 0.865306 0.113291 O\n0.113291 0.866095 0.865306 O\n0.112624 0.365032 0.692467 O\n0.365032 0.692467 0.112624 O\n0.887376 0.307533 0.634968 O\n0.692467 0.112624 0.365032 O\n0.634968 0.887376 0.307533 O\n0.307533 0.634968 0.887376 O\n",
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{
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"structure_string": "Li4 V2 P2 H2 O10\n1.0\n5.395417 0.000000 0.000000\n-0.402390 5.583522 0.000000\n-2.496006 -2.624689 6.826045\nLi V P H O\n4 2 2 2 10\ndirect\n0.465874 0.130393 0.832386 Li\n0.793655 0.425823 0.800883 Li\n0.206345 0.574177 0.199117 Li\n0.534126 0.869607 0.167614 Li\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.668931 0.374797 0.228838 P\n0.331069 0.625203 0.771162 P\n0.339491 0.076876 0.358708 H\n0.660509 0.923124 0.641292 H\n0.816275 0.061411 0.724150 O\n0.730254 0.221618 0.367517 O\n0.332896 0.338057 0.668771 O\n0.379391 0.253146 0.072764 O\n0.861548 0.351159 0.113509 O\n0.138452 0.648841 0.886491 O\n0.620609 0.746854 0.927236 O\n0.667104 0.661943 0.331229 O\n0.269746 0.778382 0.632483 O\n0.183725 0.938589 0.275850 O\n",
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{
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"structure_string": "Cs6 Cr4 Cl18\n1.0\n3.721787 -6.446324 0.000000\n3.721787 6.446324 0.000000\n0.000000 0.000000 18.475372\nCs Cr Cl\n6 4 18\ndirect\n0.000000 0.000000 0.250000 Cs\n0.000000 0.000000 0.750000 Cs\n0.333333 0.666667 0.427158 Cs\n0.666667 0.333333 0.572842 Cs\n0.666667 0.333333 0.927158 Cs\n0.333333 0.666667 0.072842 Cs\n0.333333 0.666667 0.663017 Cr\n0.666667 0.333333 0.336983 Cr\n0.666667 0.333333 0.163017 Cr\n0.333333 0.666667 0.836983 Cr\n0.523072 0.476928 0.250000 Cl\n0.523072 0.046144 0.250000 Cl\n0.953856 0.476928 0.250000 Cl\n0.476928 0.523072 0.750000 Cl\n0.476928 0.953856 0.750000 Cl\n0.046144 0.523072 0.750000 Cl\n0.816416 0.183584 0.403576 Cl\n0.816416 0.632831 0.403576 Cl\n0.367169 0.183584 0.403576 Cl\n0.183584 0.816416 0.596424 Cl\n0.183584 0.367169 0.596424 Cl\n0.632831 0.816416 0.596424 Cl\n0.183584 0.816416 0.903576 Cl\n0.183584 0.367169 0.903576 Cl\n0.632831 0.816416 0.903576 Cl\n0.816416 0.183584 0.096424 Cl\n0.816416 0.632831 0.096424 Cl\n0.367169 0.183584 0.096424 Cl\n",
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"elements": [
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"Cr",
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],
"chemical_system": "Cl-Cr-Cs",
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"formula_full": "Cs6 Cr4 Cl18",
"formula_reduced": "Cs3Cr2Cl9",
"formula_anonymous": "A2B3C9",
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"updated_at": "2021-11-28T01:37:48.134000Z",
"spacegroup": 194
},
{
"id": "mp-571540",
"created_at": "2022-09-04T14:46:57.309947Z",
"structure_string": "Zn12 Cl24\n1.0\n11.786732 0.000000 0.000000\n0.000000 6.787908 0.000000\n0.000000 6.260852 12.573233\nZn Cl\n12 24\ndirect\n0.839297 0.146173 0.682968 Zn\n0.184329 0.756137 0.075777 Zn\n0.339297 0.853827 0.817032 Zn\n0.160703 0.853827 0.317032 Zn\n0.315671 0.756137 0.575777 Zn\n0.815671 0.243863 0.924223 Zn\n0.495396 0.366959 0.806338 Zn\n0.684329 0.243863 0.424223 Zn\n0.660703 0.146173 0.182968 Zn\n0.504604 0.633041 0.193662 Zn\n0.995396 0.633041 0.693662 Zn\n0.004604 0.366959 0.306338 Zn\n0.176803 0.022173 0.134471 Cl\n0.981223 0.448440 0.875444 Cl\n0.179723 0.923737 0.891923 Cl\n0.341100 0.532118 0.135155 Cl\n0.320277 0.923737 0.391923 Cl\n0.823197 0.977827 0.865529 Cl\n0.003766 0.991934 0.365017 Cl\n0.152651 0.477587 0.378564 Cl\n0.323197 0.022173 0.634471 Cl\n0.158900 0.532118 0.635155 Cl\n0.820277 0.076263 0.108077 Cl\n0.496234 0.991934 0.865017 Cl\n0.652651 0.522413 0.121436 Cl\n0.018777 0.551560 0.124556 Cl\n0.347349 0.477587 0.878564 Cl\n0.679723 0.076263 0.608077 Cl\n0.481223 0.551560 0.624556 Cl\n0.518777 0.448440 0.375444 Cl\n0.658900 0.467882 0.864845 Cl\n0.996234 0.008066 0.634983 Cl\n0.841100 0.467882 0.364845 Cl\n0.847349 0.522413 0.621436 Cl\n0.676803 0.977827 0.365529 Cl\n0.503766 0.008066 0.134983 Cl\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Zn",
"Cl"
],
"chemical_system": "Cl-Zn",
"density": 2.700210808335001,
"density_atomic": 0.03578707312126962,
"volume": 1005.9498265758937,
"volume_molar": 16.827698480937837,
"formula_full": "Zn12 Cl24",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
"energy": -115.43088821,
"energy_per_atom": -3.206413561388889,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -100.69488821,
"band_gap": 3.9778,
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"is_magnetic": false,
"total_magnetization": 0.0031812,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.135000Z",
"spacegroup": 14
},
{
"id": "mp-1187343",
"created_at": "2022-09-04T14:47:00.812684Z",
"structure_string": "Rb1 Mg149\n1.0\n13.882103 -8.014839 -0.000000\n-0.000000 16.029678 0.000000\n0.000000 0.000000 15.677933\nRb Mg\n1 149\ndirect\n0.000000 -0.000000 0.000000 Rb\n0.600550 0.201100 0.000000 Mg\n0.798871 0.201128 0.000000 Mg\n0.402258 0.201129 0.000000 Mg\n0.002407 0.212420 0.000000 Mg\n0.210013 0.212420 0.000000 Mg\n0.600550 0.399449 0.000000 Mg\n0.798900 0.399450 0.000000 Mg\n0.000527 0.403049 0.000000 Mg\n0.402522 0.403050 0.000000 Mg\n0.202020 0.404042 0.000000 Mg\n0.596950 0.597478 0.000000 Mg\n0.000527 0.597478 0.000000 Mg\n0.798871 0.597742 0.000000 Mg\n0.399337 0.600663 0.000000 Mg\n0.201326 0.600663 0.000000 Mg\n0.002407 0.789987 0.000000 Mg\n0.787580 0.789987 0.000000 Mg\n0.202020 0.797979 0.000000 Mg\n0.595958 0.797980 0.000000 Mg\n0.399337 0.798674 0.000000 Mg\n0.787580 0.997593 0.000000 Mg\n0.210013 0.997594 0.000000 Mg\n0.596950 0.999472 0.000000 Mg\n0.402522 0.999473 0.000000 Mg\n0.263240 0.131620 0.165212 Mg\n0.868380 0.131620 0.165212 Mg\n0.868380 0.736760 0.165212 Mg\n0.666667 0.333333 0.166235 Mg\n0.465793 0.133109 0.166527 Mg\n0.667317 0.133110 0.166527 Mg\n0.866890 0.332683 0.166527 Mg\n0.465793 0.332683 0.166527 Mg\n0.866890 0.534207 0.166527 Mg\n0.667317 0.534208 0.166527 Mg\n0.267100 0.534199 0.167345 Mg\n0.465801 0.732900 0.167345 Mg\n0.267100 0.732900 0.167345 Mg\n0.466490 0.533510 0.167842 Mg\n0.067021 0.533510 0.167842 Mg\n0.466490 0.932979 0.167842 Mg\n0.268493 0.336318 0.168103 Mg\n0.067826 0.336319 0.168103 Mg\n0.663682 0.731507 0.168103 Mg\n0.067826 0.731507 0.168103 Mg\n0.268493 0.932174 0.168103 Mg\n0.663682 0.932174 0.168103 Mg\n0.070597 0.141193 0.175905 Mg\n0.070597 0.929403 0.175905 Mg\n0.858807 0.929403 0.175905 Mg\n0.400096 0.200048 0.332726 Mg\n0.799952 0.200048 0.332726 Mg\n0.799952 0.599904 0.332726 Mg\n0.600104 0.200209 0.333095 Mg\n0.600104 0.399895 0.333095 Mg\n0.799791 0.399895 0.333095 Mg\n0.400048 0.599952 0.333867 Mg\n0.199904 0.599952 0.333867 Mg\n0.400048 0.800096 0.333867 Mg\n0.200087 0.400172 0.333851 Mg\n0.200087 0.799913 0.333851 Mg\n0.599828 0.799913 0.333851 Mg\n0.599380 0.000219 0.333984 Mg\n0.400839 0.000219 0.333984 Mg\n0.999781 0.400620 0.333984 Mg\n0.400839 0.400620 0.333984 Mg\n0.999781 0.599161 0.333984 Mg\n0.599380 0.599161 0.333984 Mg\n0.000000 -0.000000 0.333894 Mg\n0.201799 0.000557 0.335453 Mg\n0.798758 0.000557 0.335453 Mg\n0.201799 0.201242 0.335453 Mg\n0.999443 0.201242 0.335453 Mg\n0.999443 0.798201 0.335453 Mg\n0.798758 0.798201 0.335453 Mg\n0.066786 0.133571 0.500000 Mg\n0.866174 0.133826 0.500000 Mg\n0.267651 0.133826 0.500000 Mg\n0.667096 0.134125 0.500000 Mg\n0.467029 0.134125 0.500000 Mg\n0.467029 0.332904 0.500000 Mg\n0.865876 0.332904 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266891 0.334196 0.500000 Mg\n0.067305 0.334196 0.500000 Mg\n0.667096 0.532971 0.500000 Mg\n0.865876 0.532971 0.500000 Mg\n0.066803 0.533402 0.500000 Mg\n0.466599 0.533402 0.500000 Mg\n0.266899 0.533797 0.500000 Mg\n0.866174 0.732349 0.500000 Mg\n0.665804 0.733109 0.500000 Mg\n0.067305 0.733109 0.500000 Mg\n0.466203 0.733101 0.500000 Mg\n0.266899 0.733102 0.500000 Mg\n0.266891 0.932695 0.500000 Mg\n0.665804 0.932696 0.500000 Mg\n0.066786 0.933214 0.500000 Mg\n0.866429 0.933214 0.500000 Mg\n0.466599 0.933197 0.500000 Mg\n0.201799 0.000557 0.664547 Mg\n0.798758 0.000557 0.664547 Mg\n0.201799 0.201242 0.664547 Mg\n0.999443 0.201242 0.664547 Mg\n0.999443 0.798201 0.664547 Mg\n0.798758 0.798201 0.664547 Mg\n0.000000 -0.000000 0.666107 Mg\n0.599380 0.000219 0.666016 Mg\n0.400839 0.000219 0.666016 Mg\n0.999781 0.400620 0.666016 Mg\n0.400839 0.400620 0.666016 Mg\n0.999781 0.599161 0.666016 Mg\n0.599380 0.599161 0.666016 Mg\n0.200087 0.400172 0.666149 Mg\n0.200087 0.799913 0.666149 Mg\n0.599828 0.799913 0.666149 Mg\n0.400048 0.599952 0.666132 Mg\n0.199904 0.599952 0.666132 Mg\n0.400048 0.800096 0.666132 Mg\n0.600104 0.200209 0.666905 Mg\n0.600104 0.399895 0.666905 Mg\n0.799791 0.399895 0.666905 Mg\n0.400096 0.200048 0.667275 Mg\n0.799952 0.200048 0.667275 Mg\n0.799952 0.599904 0.667275 Mg\n0.070597 0.141193 0.824095 Mg\n0.070597 0.929403 0.824095 Mg\n0.858807 0.929403 0.824095 Mg\n0.268493 0.336318 0.831897 Mg\n0.067826 0.336319 0.831897 Mg\n0.663682 0.731507 0.831897 Mg\n0.067826 0.731507 0.831897 Mg\n0.268493 0.932174 0.831897 Mg\n0.663682 0.932174 0.831897 Mg\n0.466490 0.533510 0.832158 Mg\n0.067021 0.533510 0.832158 Mg\n0.466490 0.932979 0.832158 Mg\n0.267100 0.534199 0.832656 Mg\n0.465801 0.732900 0.832656 Mg\n0.267100 0.732900 0.832656 Mg\n0.465793 0.133109 0.833474 Mg\n0.667317 0.133110 0.833474 Mg\n0.866890 0.332683 0.833474 Mg\n0.465793 0.332683 0.833474 Mg\n0.866890 0.534207 0.833474 Mg\n0.667317 0.534208 0.833474 Mg\n0.666667 0.333333 0.833765 Mg\n0.263240 0.131620 0.834788 Mg\n0.868380 0.131620 0.834788 Mg\n0.868380 0.736760 0.834788 Mg\n",
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"elements": [
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],
"chemical_system": "Mg-Rb",
"density": 1.764381934792877,
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"volume": 3488.742091208381,
"volume_molar": 14.006463965729088,
"formula_full": "Rb1 Mg149",
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"energy": -241.24587488,
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"updated_at": "2021-11-28T01:37:48.137000Z",
"spacegroup": 187
}
]
}