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{
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"results": [
{
"id": "mp-672651",
"created_at": "2022-09-04T14:40:20.675929Z",
"structure_string": "Zr6 Ni16 Ge7\n1.0\n0.000000 5.846239 5.846239\n5.846239 0.000000 5.846239\n5.846239 5.846239 0.000000\nZr Ni Ge\n6 16 7\ndirect\n0.206272 0.793728 0.793728 Zr\n0.206272 0.793728 0.206272 Zr\n0.793728 0.206272 0.206272 Zr\n0.793728 0.206272 0.793728 Zr\n0.793728 0.793728 0.206272 Zr\n0.206272 0.206272 0.793728 Zr\n0.381433 0.381433 0.381433 Ni\n0.506871 0.831043 0.831043 Ni\n0.618567 0.618567 0.144300 Ni\n0.168957 0.168957 0.493129 Ni\n0.831043 0.831043 0.506871 Ni\n0.168957 0.168957 0.168957 Ni\n0.831043 0.831043 0.831043 Ni\n0.381433 0.381433 0.855700 Ni\n0.831043 0.506871 0.831043 Ni\n0.618567 0.618567 0.618567 Ni\n0.381433 0.855700 0.381433 Ni\n0.144300 0.618567 0.618567 Ni\n0.618567 0.144300 0.618567 Ni\n0.168957 0.493129 0.168957 Ni\n0.855700 0.381433 0.381433 Ni\n0.493129 0.168957 0.168957 Ni\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n",
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{
"id": "mp-1034608",
"created_at": "2022-09-04T14:40:20.684148Z",
"structure_string": "Na1 Mg14 Ga1 O16\n1.0\n8.558666 0.000000 0.000000\n0.000000 8.514395 0.000000\n0.000000 0.000000 4.290070\nNa Mg Ga O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.243052 0.500000 Mg\n0.000000 0.756948 0.500000 Mg\n0.500000 0.247480 0.500000 Mg\n0.500000 0.752520 0.500000 Mg\n0.247214 0.000000 0.500000 Mg\n0.251628 0.500000 0.500000 Mg\n0.752786 0.000000 0.500000 Mg\n0.748372 0.500000 0.500000 Mg\n0.251184 0.244940 0.000000 Mg\n0.251184 0.755060 0.000000 Mg\n0.748816 0.244940 -0.000000 Mg\n0.748816 0.755060 0.000000 Mg\n0.000000 0.500000 0.000000 Ga\n0.262767 0.000000 0.000000 O\n0.244199 0.500000 0.000000 O\n0.737233 0.000000 0.000000 O\n0.755801 0.500000 0.000000 O\n0.249065 0.251690 0.500000 O\n0.249065 0.748310 0.500000 O\n0.750935 0.251690 0.500000 O\n0.750935 0.748310 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.273331 0.000000 O\n0.000000 0.726669 0.000000 O\n0.500000 0.254997 0.000000 O\n0.500000 0.745003 -0.000000 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 3.659545539140804,
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"volume": 312.62539328784015,
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"formula_full": "Na1 Mg14 Ga1 O16",
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"formula_anonymous": "ABC14D16",
"energy": -199.15367845,
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"updated_at": "2021-11-28T01:34:50.478000Z",
"spacegroup": 47
},
{
"id": "mp-1070753",
"created_at": "2022-09-04T14:40:20.778892Z",
"structure_string": "Ce1 Co1 Si3\n1.0\n-2.055014 2.055014 4.752849\n2.055014 -2.055014 4.752849\n2.055014 2.055014 -4.752849\nCe Co Si\n1 1 3\ndirect\n0.000901 0.000901 0.000000 Ce\n0.661772 0.661772 0.000000 Co\n0.424785 0.424785 0.000000 Si\n0.260771 0.760771 0.500000 Si\n0.760771 0.260771 0.500000 Si\n",
"nsites": 5,
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"Co",
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],
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"formula_full": "Ce1 Co1 Si3",
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"updated_at": "2021-11-28T01:34:51.030000Z",
"spacegroup": 107
},
{
"id": "mp-1179616",
"created_at": "2022-09-04T14:40:20.667563Z",
"structure_string": "Sb8 P8 C8 O28\n1.0\n4.990605 0.000000 -0.440780\n0.000000 17.649304 0.000000\n0.061208 0.000000 10.818367\nSb P C O\n8 8 8 28\ndirect\n0.836424 0.401089 0.937575 Sb\n0.163576 0.901089 0.562425 Sb\n0.163576 0.598911 0.062425 Sb\n0.836424 0.098911 0.437575 Sb\n0.896921 0.185168 0.152071 Sb\n0.103079 0.685168 0.347929 Sb\n0.103079 0.814832 0.847929 Sb\n0.896921 0.314832 0.652071 Sb\n0.377440 0.324598 0.141223 P\n0.622560 0.824598 0.358777 P\n0.622560 0.675402 0.858777 P\n0.377440 0.175402 0.641223 P\n0.280520 0.040208 0.235262 P\n0.719480 0.540208 0.264738 P\n0.719480 0.959792 0.764738 P\n0.280520 0.459792 0.735262 P\n0.493476 0.388814 0.259819 C\n0.506524 0.888814 0.240181 C\n0.506524 0.611186 0.740181 C\n0.493476 0.111186 0.759819 C\n0.386802 0.946909 0.206768 C\n0.613198 0.446908 0.293232 C\n0.613198 0.053091 0.793232 C\n0.386802 0.553091 0.706768 C\n0.231893 0.254952 0.190603 O\n0.768107 0.754952 0.309397 O\n0.768107 0.745048 0.809397 O\n0.231893 0.245048 0.690603 O\n0.198831 0.373816 0.052921 O\n0.801169 0.873816 0.447079 O\n0.801169 0.626184 0.947079 O\n0.198831 0.126184 0.552921 O\n0.638003 0.300060 0.087056 O\n0.361997 0.800060 0.412943 O\n0.361997 0.699940 0.912943 O\n0.638003 0.199940 0.587057 O\n0.113057 0.029309 0.348729 O\n0.886943 0.529309 0.151271 O\n0.886943 0.970691 0.651271 O\n0.113057 0.470691 0.848729 O\n0.111230 0.078375 0.127291 O\n0.888770 0.578375 0.372709 O\n0.888770 0.921625 0.872709 O\n0.111230 0.421625 0.627291 O\n0.542475 0.084083 0.264369 O\n0.457525 0.584083 0.235631 O\n0.457525 0.915917 0.735631 O\n0.542475 0.415917 0.764369 O\n0.911900 0.312702 0.834570 O\n0.088100 0.812702 0.665430 O\n0.088100 0.687298 0.165430 O\n0.911900 0.187298 0.334570 O\n",
"nsites": 52,
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"elements": [
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],
"chemical_system": "C-O-P-Sb",
"density": 3.07585113596938,
"density_atomic": 0.054543611015676154,
"volume": 953.3655552261638,
"volume_molar": 11.040964556360603,
"formula_full": "Sb8 P8 C8 O28",
"formula_reduced": "Sb2P2C2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -371.73628963,
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"updated_at": "2021-11-28T01:34:52.318000Z",
"spacegroup": 14
},
{
"id": "mp-673673",
"created_at": "2022-09-04T14:40:20.671015Z",
"structure_string": "Nd2 O6\n1.0\n4.188633 0.000000 0.000000\n-2.053516 -3.659091 0.000000\n-2.083718 0.054173 -7.489462\nNd O\n2 6\ndirect\n0.533741 0.811700 0.257426 Nd\n0.398491 0.164270 0.643860 Nd\n0.238510 0.154011 0.339382 O\n0.100808 0.395892 0.821091 O\n0.693404 0.812634 0.581923 O\n0.317377 0.725961 0.905479 O\n0.805695 0.480721 0.133120 O\n0.915284 0.458266 0.319603 O\n",
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"elements": [
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"O"
],
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"density": 5.561951030345709,
"density_atomic": 0.06969375191358311,
"volume": 114.78790824634629,
"volume_molar": 8.640861762568278,
"formula_full": "Nd2 O6",
"formula_reduced": "NdO3",
"formula_anonymous": "AB3",
"energy": -55.4942845,
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},
{
"id": "mp-27162",
"created_at": "2022-09-04T14:40:20.686648Z",
"structure_string": "Sc24 Co8\n1.0\n5.814247 0.000000 0.000000\n0.000000 8.590644 0.000000\n0.000000 0.000000 13.016756\nSc Co\n24 8\ndirect\n0.547626 0.750000 0.353991 Sc\n0.047626 0.250000 0.146009 Sc\n0.452374 0.250000 0.646009 Sc\n0.952374 0.750000 0.853991 Sc\n0.786469 0.750000 0.109056 Sc\n0.286469 0.250000 0.390944 Sc\n0.213531 0.250000 0.890944 Sc\n0.713531 0.750000 0.609056 Sc\n0.407524 0.932688 0.787381 Sc\n0.907524 0.067312 0.712619 Sc\n0.592476 0.432688 0.212619 Sc\n0.092476 0.567312 0.287381 Sc\n0.592476 0.067312 0.212619 Sc\n0.092476 0.932688 0.287381 Sc\n0.407524 0.567312 0.787381 Sc\n0.907524 0.432688 0.712619 Sc\n0.244902 0.935693 0.535427 Sc\n0.744902 0.064307 0.964573 Sc\n0.755098 0.435693 0.464573 Sc\n0.255098 0.564307 0.035427 Sc\n0.755098 0.064307 0.464573 Sc\n0.255098 0.935693 0.035427 Sc\n0.244902 0.564307 0.535427 Sc\n0.744902 0.435693 0.964573 Sc\n0.946136 0.750000 0.440486 Co\n0.446136 0.250000 0.059514 Co\n0.053864 0.250000 0.559514 Co\n0.553864 0.750000 0.940486 Co\n0.372602 0.750000 0.179835 Co\n0.872602 0.250000 0.320165 Co\n0.627398 0.250000 0.820165 Co\n0.127398 0.750000 0.679835 Co\n",
"nsites": 32,
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"volume": 650.1625701669004,
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"spacegroup": 62
},
{
"id": "mp-1176722",
"created_at": "2022-09-04T14:40:20.710425Z",
"structure_string": "Li6 Mn12 P12 O48\n1.0\n-9.093335 0.000000 0.000000\n-0.697706 -9.105135 0.000000\n4.082769 3.786385 10.840359\nLi Mn P O\n6 12 12 48\ndirect\n0.500000 0.500000 0.000000 Li\n0.352142 0.374568 0.359303 Li\n0.748981 0.748925 0.248247 Li\n0.000000 0.000000 0.500000 Li\n0.251019 0.251075 0.751753 Li\n0.647858 0.625432 0.640697 Li\n0.474604 0.159626 0.095936 Mn\n0.015991 0.335938 0.401293 Mn\n0.085612 0.771771 0.152218 Mn\n0.858638 0.386483 0.124078 Mn\n0.643408 0.102802 0.375371 Mn\n0.414844 0.730423 0.347885 Mn\n0.585156 0.269577 0.652115 Mn\n0.356592 0.897198 0.624629 Mn\n0.141362 0.613517 0.875922 Mn\n0.984009 0.664062 0.598707 Mn\n0.914388 0.228229 0.847782 Mn\n0.525396 0.840374 0.904064 Mn\n0.207184 0.427856 0.078018 P\n0.827830 0.038600 0.174189 P\n0.289479 0.082248 0.420286 P\n0.415288 0.834568 0.122233 P\n0.083009 0.664667 0.375092 P\n0.673120 0.451665 0.329557 P\n0.326880 0.548335 0.670443 P\n0.916991 0.335333 0.624908 P\n0.584712 0.165432 0.877767 P\n0.710521 0.917752 0.579714 P\n0.172170 0.961400 0.825811 P\n0.792816 0.572144 0.921982 P\n0.035590 0.366110 0.034627 O\n0.666114 0.021029 0.068304 O\n0.450695 0.013807 0.181832 O\n0.318636 0.325168 0.145529 O\n0.195544 0.216355 0.376508 O\n0.237079 0.796657 0.063614 O\n0.050123 0.484530 0.316365 O\n0.219827 0.594721 0.179627 O\n0.487502 0.749371 0.018032 O\n0.996551 0.734858 0.271540 O\n0.747828 0.555474 0.028420 O\n0.806699 0.996858 0.280706 O\n0.247658 0.061501 0.526710 O\n0.614485 0.279363 0.286605 O\n0.885634 0.211270 0.216632 O\n0.463352 0.137507 0.459962 O\n0.691599 0.498706 0.224868 O\n0.504624 0.764061 0.224098 O\n0.008887 0.750771 0.477153 O\n0.158647 0.531568 0.568915 O\n0.262790 0.925432 0.313249 O\n0.261321 0.698255 0.434540 O\n0.560165 0.551263 0.392692 O\n0.056042 0.068582 0.879875 O\n0.943958 0.931418 0.120125 O\n0.439835 0.448737 0.607308 O\n0.738679 0.301745 0.565460 O\n0.841353 0.468432 0.431085 O\n0.737210 0.074568 0.686751 O\n0.991113 0.249229 0.522847 O\n0.495376 0.235939 0.775902 O\n0.308401 0.501294 0.775132 O\n0.536648 0.862493 0.540038 O\n0.114366 0.788730 0.783368 O\n0.385515 0.720637 0.713395 O\n0.752342 0.938499 0.473290 O\n0.193301 0.003142 0.719294 O\n0.252172 0.444526 0.971580 O\n0.003449 0.265142 0.728460 O\n0.512498 0.250629 0.981968 O\n0.780173 0.405279 0.820373 O\n0.949877 0.515470 0.683635 O\n0.762921 0.203343 0.936386 O\n0.804456 0.783645 0.623492 O\n0.681364 0.674832 0.854471 O\n0.549305 0.986193 0.818168 O\n0.333886 0.978971 0.931696 O\n0.964410 0.633890 0.965373 O\n",
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"formula_full": "Li6 Mn12 P12 O48",
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"spacegroup": 2
},
{
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"structure_string": "Sb1\n1.0\n0.000000 2.395458 2.395458\n2.395458 0.000000 2.395458\n2.395458 2.395458 0.000000\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
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{
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{
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{
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{
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}