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{
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"results": [
{
"id": "mp-769505",
"created_at": "2022-09-04T14:48:17.010709Z",
"structure_string": "Li7 Mn10 Cr6 O32\n1.0\n5.877351 0.000000 0.000000\n2.924037 5.132880 0.000000\n2.904971 1.571369 19.234969\nLi Mn Cr O\n7 10 6 32\ndirect\n0.903355 0.413238 0.781207 Li\n0.589808 0.089553 0.719697 Li\n0.347007 0.836170 0.470350 Li\n0.659905 0.160173 0.530806 Li\n0.400164 0.914218 0.281505 Li\n0.098796 0.585502 0.217418 Li\n0.152311 0.665303 0.029749 Li\n0.124729 0.624912 0.625321 Mn\n0.375199 0.876828 0.875548 Mn\n0.500794 0.000452 0.998615 Mn\n0.247463 0.751875 0.750018 Mn\n0.872418 0.876747 0.875798 Mn\n0.003082 0.497520 0.500736 Mn\n0.376892 0.373357 0.375250 Mn\n0.123008 0.126583 0.123957 Mn\n0.874882 0.372951 0.375447 Mn\n0.626636 0.126498 0.123892 Mn\n0.374917 0.374439 0.875530 Cr\n0.624926 0.624849 0.625316 Cr\n0.124839 0.124916 0.625376 Cr\n0.874995 0.874155 0.375823 Cr\n0.749400 0.250173 0.249875 Cr\n0.626524 0.623563 0.123488 Cr\n0.232149 0.159099 0.934458 O\n0.674489 0.159899 0.934517 O\n0.187457 0.699747 0.927073 O\n0.072769 0.588156 0.815533 O\n0.521949 0.587920 0.814775 O\n0.077408 0.027770 0.816470 O\n0.668058 0.728888 0.933511 O\n0.412912 0.473699 0.685558 O\n0.177744 0.661311 0.435407 O\n0.416875 0.918404 0.687562 O\n0.562600 0.051619 0.822496 O\n0.304128 0.803703 0.572717 O\n0.945417 0.446213 0.678078 O\n0.836680 0.776228 0.565016 O\n0.026492 0.084787 0.317601 O\n0.278250 0.335075 0.565478 O\n0.971509 0.914859 0.685231 O\n0.728442 0.660807 0.436371 O\n0.173307 0.222252 0.435076 O\n0.062906 0.550882 0.322900 O\n0.569713 0.084330 0.317742 O\n0.686930 0.197410 0.428383 O\n0.437391 0.948892 0.176375 O\n0.833189 0.331388 0.563098 O\n0.330212 0.275825 0.064692 O\n0.575254 0.530707 0.317604 O\n0.472784 0.414372 0.182072 O\n0.923750 0.970092 0.181579 O\n0.814619 0.297773 0.073205 O\n0.930063 0.414487 0.182303 O\n0.325178 0.837813 0.063797 O\n0.773577 0.837870 0.063852 O\n",
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"elements": [
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"Mn",
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"O"
],
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"volume": 580.2754937060673,
"volume_molar": 6.353637641229876,
"formula_full": "Li7 Mn10 Cr6 O32",
"formula_reduced": "Li7Mn10Cr6O32",
"formula_anonymous": "A6B7C10D32",
"energy": -439.91137278,
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"spacegroup": 1
},
{
"id": "mp-754773",
"created_at": "2022-09-04T14:48:17.012996Z",
"structure_string": "Li3 Cr1 Fe3 O8\n1.0\n5.219155 -2.978516 0.000000\n5.219155 2.978516 0.000000\n3.519349 0.000000 4.870865\nLi Cr Fe O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.258853 0.258853 0.258853 O\n0.769054 0.244564 0.769054 O\n0.769054 0.769054 0.244564 O\n0.741147 0.741147 0.741147 O\n0.244564 0.769054 0.769054 O\n0.230946 0.755436 0.230946 O\n0.230946 0.230946 0.755436 O\n0.755436 0.230946 0.230946 O\n",
"nsites": 15,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.038989512730172,
"density_atomic": 0.09905012734745475,
"volume": 151.4384726370112,
"volume_molar": 6.079891991329933,
"formula_full": "Li3 Cr1 Fe3 O8",
"formula_reduced": "Li3CrFe3O8",
"formula_anonymous": "AB3C3D8",
"energy": -109.19373689,
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"updated_at": "2021-11-28T01:40:08.839000Z",
"spacegroup": 166
},
{
"id": "mp-1220184",
"created_at": "2022-09-04T14:48:17.014872Z",
"structure_string": "Ni5 O11\n1.0\n4.256358 2.446172 0.010238\n-5.693535 4.924312 -0.043386\n2.871775 -1.664895 5.397792\nNi O\n5 11\ndirect\n0.804171 0.602380 0.007321 Ni\n0.602236 0.201652 0.995660 Ni\n0.400000 0.800000 0.000000 Ni\n0.197764 0.398348 0.004340 Ni\n0.995829 0.997619 0.992679 Ni\n0.155621 0.526807 0.831707 O\n0.956359 0.129765 0.819384 O\n0.756450 0.723394 0.827155 O\n0.558155 0.334031 0.828673 O\n0.355423 0.937467 0.808282 O\n0.241845 0.265969 0.171327 O\n0.043550 0.876606 0.172845 O\n0.843641 0.470235 0.180616 O\n0.644379 0.073193 0.168293 O\n0.444577 0.662533 0.191718 O\n0.400000 0.800000 0.500000 O\n",
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"elements": [
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],
"chemical_system": "Ni-O",
"density": 4.154253472374567,
"density_atomic": 0.0852638447784015,
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"formula_full": "Ni5 O11",
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"formula_anonymous": "A5B11",
"energy": -92.24460928,
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"updated_at": "2021-11-28T01:39:00.600000Z",
"spacegroup": 2
},
{
"id": "mp-1204275",
"created_at": "2022-09-04T14:48:17.030873Z",
"structure_string": "H64 Pd4 C16 S16 N32 Cl8\n1.0\n8.431350 0.000000 0.000000\n0.000000 13.236051 0.000000\n0.000000 0.000000 15.441282\nH Pd C S N Cl\n64 4 16 16 32 8\ndirect\n0.513659 0.700685 0.781777 H\n0.486341 0.299315 0.281777 H\n0.013659 0.799315 0.281777 H\n0.986341 0.200685 0.781777 H\n0.592718 0.646369 0.688973 H\n0.407282 0.353631 0.188973 H\n0.092718 0.853631 0.188973 H\n0.907282 0.146369 0.688973 H\n0.113570 0.630702 0.728048 H\n0.886430 0.369298 0.228048 H\n0.613570 0.869298 0.228048 H\n0.386430 0.130702 0.728048 H\n0.235592 0.668770 0.814695 H\n0.764408 0.331230 0.314695 H\n0.735592 0.831230 0.314695 H\n0.264408 0.168770 0.814695 H\n0.679769 0.349389 0.644054 H\n0.320231 0.650611 0.144054 H\n0.179769 0.150611 0.144054 H\n0.820231 0.849389 0.644054 H\n0.694819 0.470441 0.602802 H\n0.305181 0.529559 0.102802 H\n0.194819 0.029559 0.102802 H\n0.805181 0.970441 0.602802 H\n0.414856 0.260065 0.484491 H\n0.585144 0.739935 0.984491 H\n0.914856 0.239935 0.984491 H\n0.085144 0.760065 0.484491 H\n0.528170 0.226374 0.575099 H\n0.471830 0.773626 0.075099 H\n0.028170 0.273626 0.075099 H\n0.971830 0.726374 0.575099 H\n0.352061 0.774770 0.380585 H\n0.647939 0.225230 0.880585 H\n0.852061 0.725230 0.880585 H\n0.147939 0.274770 0.380585 H\n0.375577 0.894500 0.336884 H\n0.624423 0.105500 0.836884 H\n0.875577 0.605500 0.836884 H\n0.124423 0.394500 0.336884 H\n0.439648 0.028804 0.432368 H\n0.560352 0.971196 0.932368 H\n0.939648 0.471196 0.932368 H\n0.060352 0.528804 0.432368 H\n0.535912 0.001189 0.529681 H\n0.464088 0.998811 0.029681 H\n0.035912 0.498811 0.029681 H\n0.964088 0.501189 0.529681 H\n0.454050 0.612249 0.311147 H\n0.545950 0.387751 0.811147 H\n0.954050 0.887751 0.811147 H\n0.045950 0.112249 0.311147 H\n0.542670 0.569335 0.215803 H\n0.457330 0.430665 0.715803 H\n0.042670 0.930665 0.715803 H\n0.957330 0.069335 0.215803 H\n0.818947 0.589194 0.196405 H\n0.181053 0.410806 0.696405 H\n0.318947 0.910806 0.696405 H\n0.681053 0.089194 0.196405 H\n0.938222 0.618081 0.286391 H\n0.061778 0.381919 0.786391 H\n0.438222 0.881919 0.786391 H\n0.561778 0.118081 0.286391 H\n0.509880 0.626298 0.501340 Pd\n0.490120 0.373702 0.001340 Pd\n0.009880 0.873702 0.001340 Pd\n0.990120 0.126298 0.501340 Pd\n0.349893 0.633975 0.699987 C\n0.650107 0.366025 0.199987 C\n0.849893 0.866025 0.199987 C\n0.150107 0.133975 0.699987 C\n0.543022 0.375850 0.536921 C\n0.456978 0.624150 0.036921 C\n0.043022 0.124150 0.036921 C\n0.956978 0.875850 0.536921 C\n0.459313 0.877256 0.461512 C\n0.540687 0.122744 0.961512 C\n0.959313 0.622744 0.961512 C\n0.040687 0.377256 0.461512 C\n0.697876 0.619546 0.309205 C\n0.302124 0.380454 0.809205 C\n0.197876 0.880454 0.809205 C\n0.802124 0.119546 0.309205 C\n0.314333 0.577792 0.600735 S\n0.685667 0.422208 0.100735 S\n0.814333 0.922208 0.100735 S\n0.185667 0.077792 0.600735 S\n0.499502 0.456555 0.452690 S\n0.500498 0.543445 0.952690 S\n0.999502 0.043445 0.952690 S\n0.000498 0.956555 0.452690 S\n0.497112 0.796709 0.547330 S\n0.502888 0.203291 0.047330 S\n0.997112 0.703291 0.047330 S\n0.002888 0.296709 0.547330 S\n0.722657 0.668990 0.411571 S\n0.277343 0.331010 0.911571 S\n0.222657 0.831010 0.911571 S\n0.777343 0.168990 0.411571 S\n0.494225 0.662210 0.725429 N\n0.505775 0.337790 0.225429 N\n0.994225 0.837790 0.225429 N\n0.005775 0.162210 0.725429 N\n0.224781 0.644149 0.752293 N\n0.775219 0.355851 0.252293 N\n0.724781 0.855851 0.252293 N\n0.275219 0.144149 0.752293 N\n0.633771 0.403726 0.604640 N\n0.366229 0.596274 0.104640 N\n0.133771 0.096274 0.104640 N\n0.866229 0.903726 0.604640 N\n0.485156 0.282266 0.534751 N\n0.514844 0.717734 0.034751 N\n0.985156 0.217734 0.034751 N\n0.014844 0.782266 0.534751 N\n0.401985 0.845131 0.385556 N\n0.598015 0.154869 0.885556 N\n0.901985 0.654869 0.885556 N\n0.098015 0.345131 0.385556 N\n0.487765 0.975419 0.473090 N\n0.512235 0.024581 0.973090 N\n0.987765 0.524581 0.973090 N\n0.012235 0.475419 0.473090 N\n0.555281 0.597330 0.277004 N\n0.444719 0.402670 0.777004 N\n0.055281 0.902670 0.777004 N\n0.944719 0.097330 0.277004 N\n0.827202 0.607310 0.260348 N\n0.172798 0.392690 0.760348 N\n0.327202 0.892690 0.760348 N\n0.672798 0.107310 0.260348 N\n0.174406 0.651182 0.347163 Cl\n0.825594 0.348818 0.847163 Cl\n0.674406 0.848818 0.847163 Cl\n0.325594 0.151182 0.347163 Cl\n0.863767 0.606357 0.657633 Cl\n0.136233 0.393643 0.157633 Cl\n0.363767 0.893643 0.157633 Cl\n0.636233 0.106357 0.657633 Cl\n",
"nsites": 140,
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"S",
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],
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"volume": 1723.2127699184077,
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"formula_full": "H64 Pd4 C16 S16 N32 Cl8",
"formula_reduced": "H16PdC4S4(N4Cl)2",
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"energy": -799.64406235,
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"spacegroup": 33
},
{
"id": "mp-1211562",
"created_at": "2022-09-04T14:48:17.216111Z",
"structure_string": "Li2 Eu4 Ru2 O12\n1.0\n5.755810 0.000000 0.000000\n0.000000 5.383600 0.000000\n0.000000 5.283341 7.624399\nLi Eu Ru O\n2 4 2 12\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.072198 0.731447 0.751233 Eu\n0.927802 0.268553 0.248767 Eu\n0.572198 0.268553 0.748767 Eu\n0.427802 0.731447 0.251233 Eu\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.468271 0.854844 0.744755 O\n0.531729 0.145156 0.255245 O\n0.968271 0.145156 0.755245 O\n0.031729 0.854844 0.244755 O\n0.789030 0.770493 0.552772 O\n0.210970 0.229507 0.447228 O\n0.289030 0.229507 0.947228 O\n0.710970 0.770493 0.052772 O\n0.314712 0.652584 0.548847 O\n0.685288 0.347416 0.451153 O\n0.814712 0.347416 0.951153 O\n0.185288 0.652584 0.048847 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Li2 Eu4 Ru2 O12",
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},
{
"id": "mp-1028260",
"created_at": "2022-09-04T14:48:17.227016Z",
"structure_string": "Na1 Mg14 Sn1\n1.0\n6.368529 -0.000000 -0.000000\n-3.184264 5.515307 0.000000\n0.000000 -0.000000 10.673322\nNa Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.165375 0.832687 0.125000 Mg\n0.168996 0.834498 0.625000 Mg\n0.667313 0.334625 0.125000 Mg\n0.665502 0.331004 0.625000 Mg\n0.667313 0.832687 0.125000 Mg\n0.665502 0.834498 0.625000 Mg\n0.334704 0.165296 0.374549 Mg\n0.334704 0.165296 0.875451 Mg\n0.334704 0.669408 0.374549 Mg\n0.334704 0.669408 0.875451 Mg\n0.830592 0.165296 0.374549 Mg\n0.830592 0.165296 0.875451 Mg\n0.833333 0.666667 0.377282 Mg\n0.833333 0.666667 0.872718 Mg\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
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"density": 2.1348160634777407,
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"volume": 374.8939519903389,
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"formula_full": "Na1 Mg14 Sn1",
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},
{
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"structure_string": "Cr1 C1\n1.0\n1.353478 -2.344292 0.000000\n1.353478 2.344292 0.000000\n0.000000 0.000000 2.621571\nCr C\n1 1\ndirect\n0.666667 0.333333 0.000000 Cr\n0.000000 0.000000 0.500000 C\n",
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{
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"structure_string": "Yb1 Pd2 Au1\n1.0\n0.000000 3.303691 3.303691\n3.303691 0.000000 3.303691\n3.303691 3.303691 0.000000\nYb Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.500000 0.500000 0.500000 Au\n",
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"formula_full": "Yb1 Pd2 Au1",
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