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{
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"results": [
{
"id": "mp-34501",
"created_at": "2022-09-04T14:44:26.079929Z",
"structure_string": "Fe4 Co2 O8\n1.0\n-2.981321 2.988761 4.207365\n2.981321 -2.988761 4.207365\n2.981321 2.988761 -4.207365\nFe Co O\n4 2 8\ndirect\n0.622530 0.872530 0.750000 Fe\n0.377470 0.127470 0.250000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.231277 0.253788 0.522511 O\n0.789836 0.255946 0.533889 O\n0.231277 0.708766 0.977489 O\n0.222057 0.255946 0.966111 O\n0.777943 0.744054 0.033889 O\n0.768723 0.291234 0.022511 O\n0.210164 0.744054 0.466111 O\n0.768723 0.746212 0.477489 O\n",
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"volume": 149.95816171091525,
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{
"id": "mp-17638",
"created_at": "2022-09-04T14:44:26.083243Z",
"structure_string": "Rb12 Sb4 Se16\n1.0\n10.036215 0.000000 0.000000\n0.000000 10.633039 0.000000\n0.000000 0.000000 11.702074\nRb Sb Se\n12 4 16\ndirect\n0.929540 0.302553 0.954789 Rb\n0.429540 0.197447 0.954789 Rb\n0.570460 0.802553 0.454789 Rb\n0.070460 0.697447 0.045211 Rb\n0.139253 0.923505 0.750000 Rb\n0.639253 0.576495 0.750000 Rb\n0.360747 0.423505 0.250000 Rb\n0.860747 0.076495 0.250000 Rb\n0.070460 0.697447 0.454789 Rb\n0.429540 0.197447 0.545211 Rb\n0.570460 0.802553 0.045211 Rb\n0.929540 0.302553 0.545211 Rb\n0.773775 0.520393 0.250000 Sb\n0.273775 0.979607 0.250000 Sb\n0.726225 0.020393 0.750000 Sb\n0.226225 0.479607 0.750000 Sb\n0.642890 0.471375 0.071475 Se\n0.142890 0.028625 0.428525 Se\n0.857110 0.971375 0.928525 Se\n0.357110 0.528625 0.571475 Se\n0.357110 0.528625 0.928525 Se\n0.857110 0.971375 0.571475 Se\n0.142890 0.028625 0.071475 Se\n0.642890 0.471375 0.428525 Se\n0.008584 0.599752 0.750000 Se\n0.508584 0.900248 0.750000 Se\n0.491416 0.099752 0.250000 Se\n0.991416 0.400248 0.250000 Se\n0.174994 0.247914 0.750000 Se\n0.825006 0.752086 0.250000 Se\n0.325006 0.747914 0.250000 Se\n0.674994 0.252086 0.750000 Se\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Rb-Sb-Se",
"density": 3.691309697405854,
"density_atomic": 0.025624758142929135,
"volume": 1248.7922743118668,
"volume_molar": 23.501258924708107,
"formula_full": "Rb12 Sb4 Se16",
"formula_reduced": "Rb3SbSe4",
"formula_anonymous": "AB3C4",
"energy": -119.36821109,
"energy_per_atom": -3.7302565965625,
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"updated_at": "2021-11-28T01:36:37.888000Z",
"spacegroup": 62
},
{
"id": "mp-13274",
"created_at": "2022-09-04T14:44:29.577182Z",
"structure_string": "Na4 C1 O4\n1.0\n2.656141 4.587660 0.000000\n-2.656141 4.587660 0.000000\n0.000000 2.458828 4.875693\nNa C O\n4 1 4\ndirect\n0.746869 0.935021 0.533030 Na\n0.064979 0.253131 0.466970 Na\n0.488463 0.776623 0.113096 Na\n0.223377 0.511537 0.886904 Na\n0.775158 0.224842 0.000000 C\n0.843331 0.990432 0.888554 O\n0.009568 0.156669 0.111446 O\n0.729792 0.499076 0.787132 O\n0.500924 0.270208 0.212868 O\n",
"nsites": 9,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-Na-O",
"density": 2.347282389186243,
"density_atomic": 0.07574148432014448,
"volume": 118.82523930952759,
"volume_molar": 7.950914632918448,
"formula_full": "Na4 C1 O4",
"formula_reduced": "Na4CO4",
"formula_anonymous": "AB4C4",
"energy": -49.91456337,
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"total_magnetization": 3.1e-06,
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"updated_at": "2021-11-28T01:36:38.778000Z",
"spacegroup": 5
},
{
"id": "mp-22250",
"created_at": "2022-09-04T14:44:26.042229Z",
"structure_string": "Mg4 Si2 B4 Ir10\n1.0\n9.418885 0.000000 0.000000\n0.000000 9.418885 0.000000\n0.000000 0.000000 2.914881\nMg Si B Ir\n4 2 4 10\ndirect\n0.675252 0.824748 0.000000 Mg\n0.824748 0.324748 0.000000 Mg\n0.175252 0.675252 0.000000 Mg\n0.324748 0.175252 0.000000 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.374297 0.874297 0.000000 B\n0.125703 0.374297 0.000000 B\n0.874297 0.625703 0.000000 B\n0.625703 0.125703 0.000000 B\n0.500000 0.000000 0.500000 Ir\n0.571800 0.290574 0.500000 Ir\n0.709426 0.571800 0.500000 Ir\n0.290574 0.428200 0.500000 Ir\n0.209426 0.928200 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.071800 0.209426 0.500000 Ir\n0.790574 0.071800 0.500000 Ir\n0.928200 0.790574 0.500000 Ir\n0.428200 0.709426 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Si",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg-Si",
"density": 13.605680503484239,
"density_atomic": 0.07734107023146052,
"volume": 258.5948182530383,
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"formula_full": "Mg4 Si2 B4 Ir10",
"formula_reduced": "Mg2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy": -144.46637807,
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"updated_at": "2021-11-28T01:36:41.202000Z",
"spacegroup": 127
},
{
"id": "mp-1101356",
"created_at": "2022-09-04T14:44:19.554633Z",
"structure_string": "Sr2 La2 Cl10\n1.0\n9.723019 2.764582 0.000000\n-9.723019 2.764582 0.000000\n0.000000 0.562652 7.022617\nSr La Cl\n2 2 10\ndirect\n0.677773 0.322227 0.750000 Sr\n0.322227 0.677773 0.250000 Sr\n0.921237 0.078763 0.750000 La\n0.078763 0.921237 0.250000 La\n0.791656 0.712870 0.608497 Cl\n0.804029 0.195056 0.492383 Cl\n0.629861 0.370139 0.250000 Cl\n0.804944 0.195971 0.007617 Cl\n0.712870 0.791656 0.108497 Cl\n0.287130 0.208344 0.891503 Cl\n0.195056 0.804029 0.992383 Cl\n0.370139 0.629861 0.750000 Cl\n0.195971 0.804944 0.507617 Cl\n0.208344 0.287130 0.391503 Cl\n",
"nsites": 14,
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"elements": [
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"La",
"Cl"
],
"chemical_system": "Cl-La-Sr",
"density": 3.5520213566794054,
"density_atomic": 0.03708245224284074,
"volume": 377.53706007139493,
"volume_molar": 16.239866556189398,
"formula_full": "Sr2 La2 Cl10",
"formula_reduced": "SrLaCl5",
"formula_anonymous": "ABC5",
"energy": -71.3397006,
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"updated_at": "2021-11-28T01:36:32.575000Z",
"spacegroup": 15
},
{
"id": "mp-18215",
"created_at": "2022-09-04T14:44:17.649215Z",
"structure_string": "Sr2 Fe6 P8 O28\n1.0\n7.091036 0.000000 -2.890655\n0.000000 7.874503 0.000000\n-0.012591 0.000000 9.710098\nSr Fe P O\n2 6 8 28\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.188727 0.624347 0.026518 Fe\n0.000000 0.000000 0.000000 Fe\n0.188727 0.875653 0.526518 Fe\n0.811273 0.375653 0.973482 Fe\n0.811273 0.124347 0.473482 Fe\n0.000000 0.500000 0.500000 Fe\n0.603840 0.054635 0.703565 P\n0.396160 0.554635 0.796435 P\n0.396160 0.945365 0.296435 P\n0.603840 0.445365 0.203565 P\n0.887490 0.796733 0.692186 P\n0.112510 0.296733 0.807814 P\n0.887490 0.703267 0.192186 P\n0.112510 0.203267 0.307814 P\n0.840547 0.626766 0.610210 O\n0.159453 0.126766 0.889790 O\n0.159453 0.373234 0.389790 O\n0.840547 0.873234 0.110210 O\n0.275272 0.609829 0.633902 O\n0.724728 0.109829 0.866098 O\n0.724728 0.390171 0.366098 O\n0.275272 0.890170 0.133902 O\n0.620091 0.179980 0.589828 O\n0.379909 0.679980 0.910172 O\n0.379910 0.820020 0.410172 O\n0.620091 0.320020 0.089828 O\n0.684698 0.872143 0.677585 O\n0.315302 0.372143 0.822414 O\n0.315302 0.127857 0.322415 O\n0.684698 0.627857 0.177585 O\n0.404603 0.489550 0.194198 O\n0.595397 0.989550 0.305802 O\n0.595397 0.510450 0.805802 O\n0.404603 0.010450 0.694198 O\n0.000559 0.213571 0.139232 O\n0.999441 0.713571 0.360768 O\n0.972056 0.921491 0.613105 O\n0.000559 0.286429 0.639232 O\n0.972056 0.578507 0.113105 O\n0.027944 0.078509 0.386895 O\n0.027944 0.421491 0.886895 O\n0.999441 0.786429 0.860768 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 3.6957243436888114,
"density_atomic": 0.08119435703418709,
"volume": 541.9095810004836,
"volume_molar": 7.416944945403487,
"formula_full": "Sr2 Fe6 P8 O28",
"formula_reduced": "SrFe3(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -350.83030614,
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"updated_at": "2021-11-28T01:36:39.144000Z",
"spacegroup": 14
},
{
"id": "mp-531125",
"created_at": "2022-09-04T14:44:19.555636Z",
"structure_string": "Ag28 Pb12 O36\n1.0\n8.865848 0.000000 0.000000\n-0.672220 8.858498 0.000000\n-2.128522 -2.226074 15.642281\nAg Pb O\n28 12 36\ndirect\n0.583388 0.584570 0.835364 Ag\n0.247434 0.247768 0.498548 Ag\n0.334495 0.333249 0.835297 Ag\n0.162776 0.164228 0.665201 Ag\n0.081786 0.083333 0.833119 Ag\n0.918214 0.916667 0.166881 Ag\n0.533947 0.300992 0.666095 Ag\n0.801376 0.034611 0.663854 Ag\n0.837224 0.835772 0.334799 Ag\n0.752566 0.752232 0.501452 Ag\n0.834403 0.833417 0.833419 Ag\n0.665505 0.666751 0.164703 Ag\n0.466053 0.699008 0.333905 Ag\n0.666404 0.668701 0.666346 Ag\n0.198624 0.965389 0.336146 Ag\n0.500000 0.500000 0.500000 Ag\n0.416612 0.415430 0.164636 Ag\n0.333596 0.331299 0.333654 Ag\n0.031883 0.797593 0.668147 Ag\n0.132445 0.365466 0.999730 Ag\n0.867555 0.634534 0.000270 Ag\n0.300575 0.530863 0.667104 Ag\n0.165597 0.166583 0.166581 Ag\n0.968117 0.202407 0.331853 Ag\n0.000000 0.000000 0.000000 Ag\n0.699425 0.469137 0.332896 Ag\n0.629053 0.863026 0.999948 Ag\n0.370947 0.136974 0.000052 Ag\n0.944078 0.443999 0.778735 Pb\n0.718530 0.223746 0.891036 Pb\n0.616729 0.110618 0.446753 Pb\n0.443438 0.944645 0.776957 Pb\n0.383271 0.889382 0.553247 Pb\n0.281470 0.776254 0.108964 Pb\n0.227613 0.721658 0.891394 Pb\n0.111196 0.615756 0.445253 Pb\n0.055922 0.556001 0.221265 Pb\n0.888804 0.384244 0.554747 Pb\n0.772387 0.278342 0.108606 Pb\n0.556562 0.055355 0.223043 Pb\n0.160131 0.466888 0.875578 O\n0.073762 0.381857 0.667152 O\n0.778005 0.470480 0.875542 O\n0.884160 0.196877 0.793630 O\n0.821915 0.137478 0.543195 O\n0.744071 0.050626 0.334290 O\n0.592804 0.278611 0.999432 O\n0.507251 0.199761 0.791674 O\n0.443962 0.136433 0.540465 O\n0.658639 0.966958 0.873895 O\n0.556038 0.863567 0.459535 O\n0.492749 0.800239 0.208326 O\n0.571071 0.884206 0.665317 O\n0.407196 0.721389 0.000568 O\n0.255929 0.949374 0.665710 O\n0.278342 0.969819 0.873762 O\n0.178085 0.862522 0.456805 O\n0.115840 0.803123 0.206370 O\n0.388392 0.696850 0.792289 O\n0.326024 0.632620 0.542656 O\n0.221995 0.529520 0.124458 O\n0.240009 0.547315 0.333414 O\n0.090885 0.784363 0.999783 O\n0.926238 0.618143 0.332848 O\n0.010993 0.698768 0.794425 O\n0.839869 0.533112 0.124422 O\n0.945454 0.634840 0.541929 O\n0.054546 0.365160 0.458071 O\n0.989007 0.301232 0.205575 O\n0.909115 0.215637 0.000217 O\n0.759991 0.452685 0.666586 O\n0.673976 0.367380 0.457344 O\n0.611608 0.303150 0.207711 O\n0.721658 0.030181 0.126238 O\n0.428929 0.115794 0.334683 O\n0.341361 0.033042 0.126105 O\n",
"nsites": 76,
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"elements": [
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],
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"density_atomic": 0.06186330757081352,
"volume": 1228.5149789801414,
"volume_molar": 9.73459227524586,
"formula_full": "Ag28 Pb12 O36",
"formula_reduced": "Ag7(PbO3)3",
"formula_anonymous": "A3B7C9",
"energy": -364.03631203,
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"spacegroup": 2
},
{
"id": "mp-571288",
"created_at": "2022-09-04T14:44:26.167532Z",
"structure_string": "K2 Ta2 Ag4 Se8\n1.0\n3.082195 -9.954518 0.000000\n3.082195 9.954518 0.000000\n0.000000 0.000000 8.375799\nK Ta Ag Se\n2 2 4 8\ndirect\n0.453541 0.821959 0.750000 K\n0.821959 0.453541 0.250000 K\n0.522601 0.297154 0.750000 Ta\n0.297154 0.522601 0.250000 Ta\n0.373571 0.373571 0.000000 Ag\n0.373571 0.373571 0.500000 Ag\n0.024638 0.795516 0.750000 Ag\n0.795516 0.024638 0.250000 Ag\n0.650824 0.630912 0.750000 Se\n0.630912 0.650824 0.250000 Se\n0.306658 0.067933 0.993561 Se\n0.067933 0.306658 0.493561 Se\n0.410578 0.839372 0.250000 Se\n0.067933 0.306658 0.006439 Se\n0.306658 0.067933 0.506439 Se\n0.839372 0.410578 0.750000 Se\n",
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"volume": 513.9686033788576,
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"formula_full": "K2 Ta2 Ag4 Se8",
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{
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{
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{
"id": "mp-27339",
"created_at": "2022-09-04T14:44:26.270852Z",
"structure_string": "Sb8 S12 O48\n1.0\n4.898420 0.000000 0.000000\n0.000000 13.364093 0.000000\n0.000000 10.657004 14.460174\nSb S O\n8 12 48\ndirect\n0.708493 0.111837 0.062710 Sb\n0.208493 0.888163 0.437290 Sb\n0.291507 0.888163 0.937290 Sb\n0.791507 0.111837 0.562710 Sb\n0.925849 0.356957 0.216389 Sb\n0.425849 0.643043 0.283611 Sb\n0.074151 0.643043 0.783611 Sb\n0.574151 0.356957 0.716389 Sb\n0.145002 0.162740 0.892794 S\n0.645002 0.837260 0.607206 S\n0.854998 0.837260 0.107206 S\n0.354998 0.162740 0.392794 S\n0.169137 0.170950 0.176635 S\n0.669137 0.829050 0.323365 S\n0.830863 0.829050 0.823365 S\n0.330863 0.170950 0.676635 S\n0.441148 0.557773 0.110096 S\n0.941148 0.442227 0.389904 S\n0.558852 0.442227 0.889904 S\n0.058852 0.557773 0.610096 S\n0.145966 0.270031 0.792212 O\n0.645966 0.729969 0.707788 O\n0.854034 0.729969 0.207788 O\n0.354034 0.270031 0.292212 O\n0.956243 0.201083 0.938313 O\n0.456243 0.798917 0.561687 O\n0.043757 0.798917 0.061687 O\n0.543757 0.201083 0.438313 O\n0.422393 0.136495 0.930560 O\n0.922393 0.863505 0.569440 O\n0.577607 0.863505 0.069440 O\n0.077607 0.136495 0.430560 O\n0.026896 0.050946 0.903877 O\n0.526896 0.949054 0.596123 O\n0.973104 0.949054 0.096123 O\n0.473104 0.050946 0.403877 O\n0.062998 0.141262 0.111309 O\n0.464898 0.170968 0.171320 O\n0.535102 0.829032 0.828680 O\n0.035102 0.170968 0.671320 O\n0.961832 0.557344 0.687400 O\n0.461832 0.442656 0.812600 O\n0.038168 0.442656 0.312600 O\n0.538168 0.557344 0.187400 O\n0.358604 0.516053 0.624583 O\n0.858604 0.483947 0.875417 O\n0.641396 0.483947 0.375417 O\n0.141396 0.516053 0.124583 O\n0.057313 0.680346 0.519847 O\n0.557313 0.319654 0.980153 O\n0.942687 0.319654 0.480153 O\n0.442687 0.680346 0.019847 O\n0.889129 0.468190 0.604929 O\n0.389129 0.531810 0.895071 O\n0.110871 0.531810 0.395071 O\n0.610871 0.468190 0.104929 O\n0.446690 0.086673 0.769416 O\n0.946690 0.913327 0.730584 O\n0.553310 0.913327 0.230584 O\n0.053310 0.086673 0.269416 O\n0.439650 0.302735 0.633954 O\n0.939650 0.697265 0.866046 O\n0.560350 0.697265 0.366046 O\n0.060350 0.302735 0.133954 O\n0.437002 0.141262 0.611309 O\n0.937002 0.858738 0.888691 O\n0.562998 0.858738 0.388691 O\n0.964898 0.829032 0.328680 O\n",
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{
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"structure_string": "Y1 Er1 Sn2 Pd4\n1.0\n7.932281 -2.404350 0.000000\n7.932281 2.404350 0.000000\n7.203500 0.000000 4.100192\nY Er Sn Pd\n1 1 2 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Er\n0.250037 0.250037 0.250037 Sn\n0.749963 0.749963 0.749963 Sn\n0.625508 0.625508 0.625508 Pd\n0.124696 0.124696 0.124696 Pd\n0.875304 0.875304 0.875304 Pd\n0.374492 0.374492 0.374492 Pd\n",
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]
}