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{
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"results": [
{
"id": "mp-1221734",
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"structure_string": "Mn4 Sb3 As1\n1.0\n1.991929 -3.450122 0.000000\n1.991929 3.450122 0.000000\n0.000000 0.000000 11.242136\nMn Sb As\n4 3 1\ndirect\n0.000000 0.000000 0.615958 Mn\n0.000000 0.000000 0.125688 Mn\n0.000000 0.000000 0.874312 Mn\n0.000000 0.000000 0.384042 Mn\n0.666667 0.333333 0.000000 Sb\n0.333333 0.666667 0.746789 Sb\n0.333333 0.666667 0.253211 Sb\n0.666667 0.333333 0.500000 As\n",
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{
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"formula_full": "Ca2 Eu2 In3 Ge4",
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"spacegroup": 12
},
{
"id": "mp-1100691",
"created_at": "2022-09-04T14:41:21.122567Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.894271 0.000000 0.000000\n0.000000 5.899305 0.000000\n0.000000 0.070188 16.971404\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.745800 0.623510 Li\n0.500000 0.254200 0.376490 Li\n0.500000 0.742583 0.117247 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.497697 0.244330 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.257417 0.882753 Li\n0.000000 0.502303 0.755670 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.998175 0.750802 Mn\n0.000000 0.001825 0.249198 Mn\n0.000000 0.500000 0.500000 Co\n0.500000 0.747197 0.375482 Co\n0.500000 0.262486 0.110528 Co\n0.500000 0.737514 0.889472 Co\n0.500000 0.252803 0.624518 Co\n0.500000 0.779053 0.744689 O\n0.500000 0.264045 0.498826 O\n0.500000 0.779662 0.248735 O\n0.000000 0.023610 0.632730 O\n0.000000 0.520699 0.377236 O\n0.000000 0.021658 0.137135 O\n0.500000 0.243471 0.005960 O\n0.000000 0.518576 0.872676 O\n0.500000 0.735955 0.501174 O\n0.500000 0.220947 0.255311 O\n0.500000 0.756529 0.994040 O\n0.000000 0.976390 0.367270 O\n0.000000 0.481424 0.127324 O\n0.000000 0.978342 0.862865 O\n0.500000 0.220338 0.751265 O\n0.000000 0.479301 0.622764 O\n",
"nsites": 32,
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"elements": [
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"chemical_system": "Co-Li-Mn-O",
"density": 4.143148117556981,
"density_atomic": 0.11043129451840684,
"volume": 289.77293202576914,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"energy": -208.07731614,
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"updated_at": "2021-11-28T01:35:19.092000Z",
"spacegroup": 10
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{
"id": "mp-867346",
"created_at": "2022-09-04T14:41:21.125755Z",
"structure_string": "Th1 Cd1 Hg2\n1.0\n0.000000 3.692695 3.692695\n3.692695 0.000000 3.692695\n3.692695 3.692695 0.000000\nTh Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.29452098307406,
"density_atomic": 0.03971912573387737,
"volume": 100.70715117952122,
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"formula_full": "Th1 Cd1 Hg2",
"formula_reduced": "ThCdHg2",
"formula_anonymous": "ABC2",
"energy": -9.90619436,
"energy_per_atom": -2.47654859,
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"updated_at": "2021-11-28T01:35:15.052000Z",
"spacegroup": 225
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{
"id": "mp-1060962",
"created_at": "2022-09-04T14:41:21.127530Z",
"structure_string": "Tl1 C1\n1.0\n3.234577 0.000000 0.000000\n0.000000 3.234577 0.000000\n0.000000 0.000000 3.234577\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 C\n",
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"elements": [
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],
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"density": 10.617978215882667,
"density_atomic": 0.05909864360819285,
"volume": 33.84172424090525,
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"formula_full": "Tl1 C1",
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"formula_anonymous": "AB",
"energy": -6.4861269,
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"updated_at": "2021-11-28T01:35:21.366000Z",
"spacegroup": 221
},
{
"id": "mp-1100636",
"created_at": "2022-09-04T14:41:21.146008Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.437955 9.804137 0.000000\n-1.437955 9.804137 0.000000\n0.000000 1.163517 10.262406\nLi Mn Co O\n9 2 5 16\ndirect\n0.380517 0.380517 0.933300 Li\n0.119397 0.119397 0.807247 Li\n0.876892 0.876892 0.680041 Li\n0.617005 0.617005 0.550563 Li\n0.382621 0.382621 0.437559 Li\n0.123868 0.123868 0.322475 Li\n0.877954 0.877954 0.200953 Li\n0.620861 0.620861 0.068752 Li\n0.000159 0.000159 0.499420 Li\n0.000194 0.000194 0.999852 Mn\n0.749484 0.749484 0.875762 Mn\n0.495689 0.495689 0.729030 Co\n0.248371 0.248371 0.621976 Co\n0.750818 0.750818 0.374725 Co\n0.504409 0.504409 0.269900 Co\n0.250856 0.250856 0.127973 Co\n0.444094 0.444094 0.081921 O\n0.192748 0.192748 0.953251 O\n0.946126 0.946126 0.851838 O\n0.699043 0.699043 0.721910 O\n0.437255 0.437255 0.606494 O\n0.191216 0.191216 0.464674 O\n0.941841 0.941841 0.336176 O\n0.695945 0.695945 0.208874 O\n0.306627 0.306627 0.798287 O\n0.059462 0.059462 0.664895 O\n0.803568 0.803568 0.540546 O\n0.561732 0.561732 0.393826 O\n0.310042 0.310042 0.283204 O\n0.054076 0.054076 0.147611 O\n0.801010 0.801010 0.029300 O\n0.556122 0.556122 0.917664 O\n",
"nsites": 32,
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"elements": [
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 8
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{
"id": "mp-1039505",
"created_at": "2022-09-04T14:41:21.159087Z",
"structure_string": "Ce3 Mg3\n1.0\n2.941496 5.139417 0.000000\n-2.941496 5.139417 0.000000\n0.000000 3.738180 5.496668\nCe Mg\n3 3\ndirect\n0.335612 0.664388 0.000000 Ce\n0.167323 0.164593 0.504361 Ce\n0.835407 0.832677 0.495639 Ce\n0.659478 0.000944 0.998329 Mg\n0.999056 0.340522 0.001671 Mg\n0.503122 0.496878 0.500000 Mg\n",
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"elements": [
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"density": 4.928514250226809,
"density_atomic": 0.036102695595804125,
"volume": 166.19257650936524,
"volume_molar": 16.68058481677445,
"formula_full": "Ce3 Mg3",
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"spacegroup": 5
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{
"id": "mp-28174",
"created_at": "2022-09-04T14:41:21.622611Z",
"structure_string": "Pd1 S2 Cl6\n1.0\n4.755114 0.000000 0.000000\n-0.225792 6.978366 0.000000\n-1.070935 -2.124384 8.070847\nPd S Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.293791 0.225951 0.206600 S\n0.706209 0.774049 0.793400 S\n0.745525 0.817841 0.567024 Cl\n0.287626 0.128779 0.841316 Cl\n0.712374 0.871221 0.158684 Cl\n0.089941 0.481760 0.215566 Cl\n0.910059 0.518240 0.784434 Cl\n0.254475 0.182159 0.432976 Cl\n",
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"formula_full": "Pd1 S2 Cl6",
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{
"id": "mp-759143",
"created_at": "2022-09-04T14:41:17.099989Z",
"structure_string": "Li6 V3 Fe6 O18\n1.0\n4.389386 6.362519 0.000000\n-4.389386 6.362519 0.000000\n0.000000 1.614396 5.727849\nLi V Fe O\n6 3 6 18\ndirect\n0.165688 0.495196 0.827762 Li\n0.495196 0.165688 0.827762 Li\n0.834312 0.504804 0.172238 Li\n0.504804 0.834312 0.172238 Li\n0.829813 0.170187 0.500000 Li\n0.170187 0.829813 0.500000 Li\n0.836684 0.163316 0.000000 V\n0.500000 0.500000 0.000000 V\n0.163316 0.836684 0.000000 V\n0.168229 0.498290 0.336346 Fe\n0.832863 0.832863 0.341933 Fe\n0.498290 0.168229 0.336346 Fe\n0.831771 0.501710 0.663654 Fe\n0.501710 0.831771 0.663654 Fe\n0.167137 0.167137 0.658067 Fe\n0.992425 0.992425 0.236583 O\n0.996659 0.654238 0.561415 O\n0.654238 0.996659 0.561415 O\n0.007575 0.007575 0.763417 O\n0.012393 0.672424 0.109432 O\n0.672424 0.012393 0.109432 O\n0.003341 0.345762 0.438585 O\n0.676972 0.676972 0.438747 O\n0.345762 0.003341 0.438585 O\n0.987607 0.327576 0.890568 O\n0.653737 0.653737 0.911748 O\n0.327576 0.987607 0.890568 O\n0.667181 0.323137 0.227351 O\n0.323137 0.667181 0.227351 O\n0.323028 0.323028 0.561253 O\n0.676863 0.332819 0.772649 O\n0.332819 0.676863 0.772649 O\n0.346263 0.346263 0.088252 O\n",
"nsites": 33,
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"formula_full": "Li6 V3 Fe6 O18",
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"spacegroup": 12
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{
"id": "mp-1444748",
"created_at": "2022-09-04T14:41:17.106244Z",
"structure_string": "Zn4 Cr4 O8\n1.0\n3.066290 0.000000 0.000000\n-0.704325 7.880981 0.000000\n-1.332512 -1.777568 7.660154\nZn Cr O\n4 4 8\ndirect\n0.922771 0.839456 0.109810 Zn\n0.300571 0.059807 0.834320 Zn\n0.243374 0.204275 0.193051 Zn\n0.908738 0.398044 0.418348 Zn\n0.837958 0.466021 0.099563 Cr\n0.597438 0.761236 0.473546 Cr\n0.365295 0.121719 0.507511 Cr\n0.196730 0.505460 0.775696 Cr\n0.607466 0.366440 0.638642 O\n0.436288 0.994755 0.059782 O\n0.114075 0.636950 0.569402 O\n0.438740 0.588505 0.243576 O\n0.246993 0.329873 0.952692 O\n0.084521 0.882102 0.371228 O\n0.787132 0.630356 0.918174 O\n0.719528 0.989384 0.673998 O\n",
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"formula_full": "Zn4 Cr4 O8",
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{
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}