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{
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{
"id": "mp-1190568",
"created_at": "2022-09-04T14:40:17.493120Z",
"structure_string": "Ba4 S4 O16\n1.0\n6.285106 0.000000 0.000000\n0.000000 7.075759 0.000000\n0.000000 0.000000 8.006934\nBa S O\n4 4 16\ndirect\n0.781294 0.916628 0.365263 Ba\n0.218706 0.416628 0.134737 Ba\n0.718706 0.083372 0.865263 Ba\n0.281294 0.583372 0.634737 Ba\n0.743782 0.414182 0.377009 S\n0.256218 0.914182 0.122991 S\n0.756218 0.585818 0.877009 S\n0.243782 0.085818 0.622991 S\n0.701430 0.288295 0.520583 O\n0.298570 0.788295 0.979417 O\n0.798570 0.711705 0.020583 O\n0.201430 0.211705 0.479417 O\n0.789668 0.298480 0.225163 O\n0.210332 0.798480 0.274837 O\n0.710332 0.701520 0.725163 O\n0.289668 0.201520 0.774837 O\n0.430869 0.958317 0.593700 O\n0.569131 0.458317 0.906300 O\n0.069131 0.041683 0.093700 O\n0.930869 0.541683 0.406300 O\n0.553317 0.539376 0.347501 O\n0.446683 0.039376 0.152499 O\n0.946683 0.460624 0.847501 O\n0.053317 0.960624 0.652499 O\n",
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"formula_full": "Ba4 S4 O16",
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"formula_anonymous": "ABC4",
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"spacegroup": 19
},
{
"id": "mp-1206763",
"created_at": "2022-09-04T14:40:17.494715Z",
"structure_string": "Ba2 Sc1 U1 O6\n1.0\n0.000000 4.285795 4.285795\n4.285795 0.000000 4.285795\n4.285795 4.285795 0.000000\nBa Sc U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 U\n0.748472 0.251528 0.251528 O\n0.251528 0.748472 0.748472 O\n0.251528 0.748472 0.251528 O\n0.748472 0.251528 0.748472 O\n0.251528 0.251528 0.748472 O\n0.748472 0.748472 0.251528 O\n",
"nsites": 10,
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],
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"density": 6.8938267831698,
"density_atomic": 0.06351492985739596,
"volume": 157.44329754361772,
"volume_molar": 9.481456995262281,
"formula_full": "Ba2 Sc1 U1 O6",
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"formula_anonymous": "ABC2D6",
"energy": -87.90717358,
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"energy_uncorrected": -83.78517357999999,
"band_gap": 0.8326000000000002,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:51.195000Z",
"spacegroup": 225
},
{
"id": "mp-1219283",
"created_at": "2022-09-04T14:40:17.497174Z",
"structure_string": "Sr12 Cd72\n1.0\n-8.059331 8.093859 8.147473\n8.059331 -8.093859 8.147473\n8.059331 8.093859 -8.147473\nSr Cd\n12 72\ndirect\n0.812727 0.517299 0.704572 Sr\n0.187273 0.482701 0.295428 Sr\n0.187273 0.891845 0.704572 Sr\n0.812727 0.108155 0.295428 Sr\n0.112897 0.301516 0.811382 Sr\n0.887103 0.698484 0.188618 Sr\n0.490134 0.301516 0.188618 Sr\n0.509866 0.698484 0.811382 Sr\n0.299551 0.186498 0.486049 Sr\n0.700449 0.813502 0.513951 Sr\n0.299551 0.813502 0.113053 Sr\n0.700449 0.186498 0.886947 Sr\n0.000042 0.677554 0.002345 Cd\n0.324791 0.322446 0.322488 Cd\n0.999958 0.002303 0.677512 Cd\n0.675209 0.997697 0.997655 Cd\n0.999958 0.322446 0.997655 Cd\n0.675209 0.677554 0.677512 Cd\n0.000042 0.997697 0.322488 Cd\n0.324791 0.002303 0.002345 Cd\n0.738085 0.641794 0.903709 Cd\n0.261915 0.358206 0.096291 Cd\n0.261915 0.165624 0.903709 Cd\n0.738085 0.834376 0.096291 Cd\n0.854649 0.093764 0.760885 Cd\n0.145351 0.906236 0.239115 Cd\n0.332879 0.093764 0.239115 Cd\n0.667121 0.906236 0.760885 Cd\n0.096140 0.244463 0.340603 Cd\n0.903860 0.755537 0.659397 Cd\n0.096140 0.755537 0.851677 Cd\n0.903860 0.244463 0.148323 Cd\n0.595972 0.251254 0.655282 Cd\n0.404028 0.748746 0.344718 Cd\n0.404028 0.059310 0.655282 Cd\n0.595972 0.940690 0.344718 Cd\n0.942485 0.346449 0.596036 Cd\n0.057515 0.653551 0.403964 Cd\n0.750413 0.346449 0.403964 Cd\n0.249587 0.653551 0.596036 Cd\n0.344017 0.403054 0.747071 Cd\n0.655983 0.596946 0.252929 Cd\n0.344017 0.596946 0.940962 Cd\n0.655983 0.403054 0.059038 Cd\n0.587645 0.587645 0.000000 Cd\n0.412355 0.412355 0.000000 Cd\n0.592989 0.000000 0.592989 Cd\n0.407011 0.000000 0.407011 Cd\n0.000000 0.406415 0.406415 Cd\n0.000000 0.593585 0.593585 Cd\n0.777264 0.455016 0.919444 Cd\n0.464428 0.544984 0.322248 Cd\n0.222736 0.142180 0.677752 Cd\n0.535572 0.857820 0.080556 Cd\n0.858810 0.081351 0.540407 Cd\n0.141190 0.681597 0.222541 Cd\n0.540944 0.318403 0.459593 Cd\n0.459056 0.918649 0.777459 Cd\n0.316735 0.458832 0.542038 Cd\n0.916794 0.774697 0.457962 Cd\n0.083206 0.541168 0.857903 Cd\n0.683265 0.225303 0.142097 Cd\n0.222736 0.544984 0.080556 Cd\n0.535572 0.455016 0.677752 Cd\n0.777264 0.857820 0.322248 Cd\n0.464428 0.142180 0.919444 Cd\n0.141190 0.918649 0.459593 Cd\n0.858810 0.318403 0.777459 Cd\n0.459056 0.681597 0.540407 Cd\n0.540944 0.081351 0.222541 Cd\n0.683265 0.541168 0.457962 Cd\n0.083206 0.225303 0.542038 Cd\n0.916794 0.458832 0.142097 Cd\n0.316735 0.774697 0.857903 Cd\n0.500000 0.313139 0.813139 Cd\n0.500000 0.686861 0.186861 Cd\n0.691713 0.191713 0.500000 Cd\n0.308287 0.808287 0.500000 Cd\n0.187312 0.500000 0.687312 Cd\n0.812688 0.500000 0.312688 Cd\n0.913013 0.821888 0.908875 Cd\n0.086987 0.178112 0.091125 Cd\n0.086987 0.995862 0.908875 Cd\n0.913013 0.004138 0.091125 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 7.143265273565781,
"density_atomic": 0.03951315768142878,
"volume": 2125.874137350457,
"volume_molar": 15.240849158533369,
"formula_full": "Sr12 Cd72",
"formula_reduced": "SrCd6",
"formula_anonymous": "AB6",
"energy": -102.99380351,
"energy_per_atom": -1.226116708452381,
"energy_above_hull": null,
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"energy_uncorrected": -102.99380351,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:59.061000Z",
"spacegroup": 71
},
{
"id": "mp-756596",
"created_at": "2022-09-04T14:40:17.498450Z",
"structure_string": "Li2 Mn3 Cu1 O8\n1.0\n5.180557 -2.935817 0.000000\n5.180557 2.935817 0.000000\n3.516833 0.000000 4.805110\nLi Mn Cu O\n2 3 1 8\ndirect\n0.119804 0.119804 0.119804 Li\n0.880196 0.880196 0.880196 Li\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Cu\n0.263076 0.263076 0.263076 O\n0.708120 0.253583 0.253583 O\n0.253583 0.253583 0.708120 O\n0.253583 0.708120 0.253583 O\n0.746417 0.291880 0.746417 O\n0.746417 0.746417 0.291880 O\n0.291880 0.746417 0.746417 O\n0.736924 0.736924 0.736924 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.206206028113295,
"density_atomic": 0.09578318374039013,
"volume": 146.16344386657133,
"volume_molar": 6.287263092363222,
"formula_full": "Li2 Mn3 Cu1 O8",
"formula_reduced": "Li2Mn3CuO8",
"formula_anonymous": "AB2C3D8",
"energy": -100.93134935,
"energy_per_atom": -7.2093820964285715,
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"updated_at": "2021-11-28T01:34:51.525000Z",
"spacegroup": 166
},
{
"id": "mp-2585",
"created_at": "2022-09-04T14:40:17.503338Z",
"structure_string": "Sr10 Sb6\n1.0\n4.797705 -8.309869 0.000000\n4.797705 8.309869 0.000000\n0.000000 0.000000 7.463552\nSr Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 Sr\n0.253171 0.000000 0.250000 Sr\n0.253171 0.253171 0.750000 Sr\n0.000000 0.746829 0.750000 Sr\n0.000000 0.253171 0.250000 Sr\n0.746829 0.746829 0.250000 Sr\n0.746829 0.000000 0.750000 Sr\n0.609762 0.000000 0.250000 Sb\n0.609762 0.609762 0.750000 Sb\n0.000000 0.390238 0.750000 Sb\n0.000000 0.609762 0.250000 Sb\n0.390238 0.390238 0.250000 Sb\n0.390238 0.000000 0.750000 Sb\n",
"nsites": 16,
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"elements": [
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"density": 4.483290002651341,
"density_atomic": 0.026885412604941546,
"volume": 595.1182611591832,
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"formula_full": "Sr10 Sb6",
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"energy": -58.77095707,
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"spacegroup": 193
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{
"id": "mp-1195757",
"created_at": "2022-09-04T14:40:17.508009Z",
"structure_string": "Li4 Sn2 H20 O16\n1.0\n10.504125 0.000000 0.000000\n0.000000 6.096108 0.000000\n0.000000 2.882162 5.419505\nLi Sn H O\n4 2 20 16\ndirect\n0.064389 0.344986 0.826132 Li\n0.564389 0.155014 0.173868 Li\n0.935611 0.655014 0.173868 Li\n0.435611 0.844986 0.826132 Li\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.123074 0.385941 0.432985 H\n0.623074 0.114059 0.567015 H\n0.876926 0.614059 0.567015 H\n0.376926 0.885941 0.432985 H\n0.792667 0.287991 0.349768 H\n0.292667 0.212009 0.650232 H\n0.207333 0.712009 0.650232 H\n0.707333 0.787991 0.349768 H\n0.195448 0.132797 0.199297 H\n0.695448 0.367203 0.800703 H\n0.804552 0.867203 0.800703 H\n0.304552 0.632797 0.199297 H\n0.875191 0.149832 0.856455 H\n0.375191 0.350168 0.143545 H\n0.124809 0.850168 0.143545 H\n0.624809 0.649832 0.856455 H\n0.868496 0.301032 0.023102 H\n0.368496 0.198968 0.976898 H\n0.131504 0.698968 0.976898 H\n0.631504 0.801032 0.023102 H\n0.116276 0.226500 0.587459 O\n0.616276 0.273500 0.412541 O\n0.883724 0.773500 0.412541 O\n0.383724 0.726500 0.587459 O\n0.880923 0.306653 0.284180 O\n0.380923 0.193347 0.715820 O\n0.119077 0.693347 0.715820 O\n0.619077 0.806653 0.284180 O\n0.105592 0.099394 0.175833 O\n0.605592 0.400606 0.824167 O\n0.894408 0.900606 0.824167 O\n0.394408 0.599394 0.175833 O\n0.869570 0.318714 0.850062 O\n0.369570 0.181286 0.149938 O\n0.130430 0.681286 0.149938 O\n0.630430 0.818714 0.850062 O\n",
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"volume": 347.0341030457895,
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"formula_full": "Li4 Sn2 H20 O16",
"formula_reduced": "Li2Sn(H5O4)2",
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"energy": -228.08272688,
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"spacegroup": 14
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{
"id": "mp-850866",
"created_at": "2022-09-04T14:40:17.509234Z",
"structure_string": "Ce8 Hf8 O32\n1.0\n7.457851 0.000000 0.000000\n0.000000 7.470647 0.000000\n0.000000 0.000000 10.557978\nCe Hf O\n8 8 32\ndirect\n0.500000 0.000767 0.373836 Ce\n0.000000 0.499284 0.874331 Ce\n0.750109 0.250888 0.623948 Ce\n0.250109 0.749112 0.123948 Ce\n0.249891 0.250888 0.623948 Ce\n0.749891 0.749112 0.123948 Ce\n0.500000 0.500716 0.374331 Ce\n0.000000 0.999233 0.873836 Ce\n0.746870 0.249173 0.122028 Hf\n0.246870 0.750827 0.622028 Hf\n0.000000 0.487643 0.367763 Hf\n0.500000 0.004264 0.875516 Hf\n0.000000 0.995736 0.375516 Hf\n0.500000 0.512357 0.867763 Hf\n0.253130 0.249173 0.122028 Hf\n0.753130 0.750827 0.622028 Hf\n0.757356 0.486783 0.246895 O\n0.000000 0.745173 0.263053 O\n0.736406 0.488310 0.996894 O\n0.000000 0.761625 0.504571 O\n0.000000 0.748285 0.000150 O\n0.000000 0.750805 0.740270 O\n0.763594 0.511690 0.496894 O\n0.264187 0.989988 0.747563 O\n0.500000 0.748029 0.511751 O\n0.764187 0.010012 0.247563 O\n0.500000 0.746583 0.751484 O\n0.257356 0.513217 0.746895 O\n0.236406 0.511690 0.496894 O\n0.742369 0.009444 0.997127 O\n0.000000 0.245178 0.488802 O\n0.000000 0.249538 0.749388 O\n0.500000 0.750462 0.249388 O\n0.500000 0.754822 0.988802 O\n0.757631 0.990556 0.497127 O\n0.263594 0.488310 0.996894 O\n0.242644 0.486783 0.246895 O\n0.000000 0.253417 0.251484 O\n0.735813 0.989988 0.747563 O\n0.000000 0.251971 0.011751 O\n0.235813 0.010012 0.247563 O\n0.500000 0.251715 0.500150 O\n0.500000 0.238375 0.004571 O\n0.500000 0.249195 0.240270 O\n0.742644 0.513217 0.746895 O\n0.500000 0.254827 0.763053 O\n0.257631 0.009444 0.997127 O\n0.242369 0.990556 0.497127 O\n",
"nsites": 48,
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"volume": 588.2374507539566,
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"formula_full": "Ce8 Hf8 O32",
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"spacegroup": 31
},
{
"id": "mp-1022135",
"created_at": "2022-09-04T14:40:17.510086Z",
"structure_string": "Cs2 Mg12 Co2\n1.0\n3.226727 0.000000 0.000000\n0.000000 7.586077 0.000000\n0.000000 0.000000 17.698903\nCs Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.222154 Cs\n0.500000 0.000000 0.722154 Cs\n0.000000 0.692252 0.042122 Mg\n0.000000 0.307748 0.042122 Mg\n0.000000 0.000000 0.290644 Mg\n0.500000 0.290878 0.403298 Mg\n0.500000 0.709122 0.403298 Mg\n0.500000 0.000000 0.111291 Mg\n0.000000 0.192252 0.542122 Mg\n0.000000 0.807748 0.542122 Mg\n0.000000 0.500000 0.790644 Mg\n0.500000 0.790878 0.903298 Mg\n0.500000 0.209122 0.903298 Mg\n0.500000 0.500000 0.611291 Mg\n0.000000 0.500000 0.485072 Co\n0.000000 0.000000 0.985072 Co\n",
"nsites": 16,
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{
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{
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"structure_string": "Li12 Sn12 P12 O48\n1.0\n7.075954 0.000000 0.000000\n0.000000 9.456681 0.000000\n0.000000 9.423692 16.468756\nLi Sn P O\n12 12 12 48\ndirect\n0.483515 0.839737 0.420163 Li\n0.526861 0.170376 0.088711 Li\n0.513456 0.516377 0.732079 Li\n0.013456 0.483623 0.767921 Li\n0.026861 0.829624 0.411289 Li\n0.983515 0.160263 0.079837 Li\n0.016485 0.839737 0.920163 Li\n0.973139 0.170376 0.588711 Li\n0.986544 0.516377 0.232079 Li\n0.486544 0.483623 0.267921 Li\n0.473139 0.829624 0.911289 Li\n0.516485 0.160263 0.579837 Li\n0.747482 0.562777 0.901288 Sn\n0.761796 0.133387 0.280374 Sn\n0.758500 0.805289 0.565385 Sn\n0.258500 0.194711 0.934615 Sn\n0.261796 0.866613 0.219626 Sn\n0.247482 0.437223 0.598712 Sn\n0.752518 0.562777 0.401288 Sn\n0.738204 0.133387 0.780374 Sn\n0.741500 0.805289 0.065385 Sn\n0.241500 0.194711 0.434615 Sn\n0.238204 0.866613 0.719626 Sn\n0.252518 0.437223 0.098712 Sn\n0.237391 0.537840 0.910698 P\n0.263927 0.144153 0.269089 P\n0.253558 0.820457 0.572344 P\n0.753558 0.179543 0.927656 P\n0.763927 0.855847 0.230911 P\n0.737391 0.462160 0.589302 P\n0.262609 0.537840 0.410698 P\n0.236073 0.144153 0.769089 P\n0.246442 0.820457 0.072344 P\n0.746442 0.179543 0.427656 P\n0.736073 0.855847 0.730911 P\n0.762609 0.462160 0.089302 P\n0.073609 0.640279 0.915519 O\n0.577625 0.365292 0.101226 O\n0.092742 0.043471 0.319232 O\n0.254655 0.363892 0.991415 O\n0.758362 0.015641 0.422534 O\n0.744028 0.673887 0.752077 O\n0.253419 0.683413 0.663289 O\n0.444157 0.056425 0.317435 O\n0.084407 0.809446 0.523471 O\n0.435568 0.819287 0.527409 O\n0.263646 0.156005 0.181805 O\n0.203045 0.492538 0.843193 O\n0.703045 0.507462 0.656807 O\n0.935568 0.180713 0.972591 O\n0.763646 0.843995 0.318195 O\n0.584407 0.190554 0.976529 O\n0.944157 0.943575 0.182565 O\n0.753419 0.316587 0.836711 O\n0.244028 0.326113 0.747923 O\n0.754655 0.636108 0.508585 O\n0.258362 0.984359 0.077466 O\n0.592742 0.956529 0.180768 O\n0.077625 0.634708 0.398774 O\n0.573609 0.359721 0.584481 O\n0.426391 0.640279 0.415519 O\n0.922375 0.365292 0.601226 O\n0.407258 0.043471 0.819232 O\n0.245345 0.363892 0.491415 O\n0.741638 0.015641 0.922534 O\n0.755972 0.673887 0.252077 O\n0.246581 0.683413 0.163289 O\n0.055843 0.056425 0.817435 O\n0.415593 0.809446 0.023471 O\n0.236354 0.156005 0.681805 O\n0.064432 0.819287 0.027409 O\n0.296955 0.492538 0.343193 O\n0.796955 0.507462 0.156807 O\n0.736354 0.843995 0.818195 O\n0.564432 0.180713 0.472591 O\n0.915593 0.190554 0.476529 O\n0.555843 0.943575 0.682565 O\n0.746581 0.316587 0.336711 O\n0.255972 0.326113 0.247923 O\n0.241638 0.984359 0.577466 O\n0.745345 0.636108 0.008585 O\n0.907258 0.956529 0.680768 O\n0.422375 0.634708 0.898774 O\n0.926391 0.359721 0.084481 O\n",
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"formula_full": "Li12 Sn12 P12 O48",
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"spacegroup": 14
},
{
"id": "mp-1204272",
"created_at": "2022-09-04T14:40:17.519638Z",
"structure_string": "Y42 Ir28\n1.0\n-5.651246 5.651246 12.639462\n5.651246 -5.651246 12.639462\n5.651246 5.651246 -12.639462\nY Ir\n42 28\ndirect\n0.632191 0.503579 0.279310 Y\n0.224270 0.352882 0.720690 Y\n0.132191 0.852882 0.128612 Y\n0.724270 0.003579 0.871388 Y\n0.352882 0.632191 0.128612 Y\n0.503579 0.224270 0.871388 Y\n0.003579 0.132191 0.279310 Y\n0.852882 0.724270 0.720690 Y\n0.367809 0.496421 0.720690 Y\n0.775730 0.647118 0.279310 Y\n0.867809 0.147118 0.871388 Y\n0.275730 0.996421 0.128612 Y\n0.647118 0.367809 0.871388 Y\n0.496421 0.775730 0.128612 Y\n0.996421 0.867809 0.720690 Y\n0.147118 0.275730 0.279310 Y\n0.385745 0.517057 0.290639 Y\n0.226418 0.095105 0.709361 Y\n0.885745 0.595105 0.868688 Y\n0.726418 0.017057 0.131312 Y\n0.095105 0.385745 0.868688 Y\n0.517057 0.226418 0.131312 Y\n0.017057 0.885745 0.290639 Y\n0.595105 0.726418 0.709361 Y\n0.614255 0.482943 0.709361 Y\n0.773582 0.904895 0.290639 Y\n0.114255 0.404895 0.131312 Y\n0.273582 0.982943 0.868688 Y\n0.904895 0.614255 0.131312 Y\n0.482943 0.773582 0.868688 Y\n0.982943 0.114255 0.709361 Y\n0.404895 0.273582 0.290639 Y\n0.850741 0.350741 0.201481 Y\n0.149259 0.649259 0.798519 Y\n0.350741 0.149259 0.500000 Y\n0.649259 0.850741 0.500000 Y\n0.387473 0.887473 0.500000 Y\n0.887473 0.387473 0.500000 Y\n0.612527 0.112527 0.500000 Y\n0.112527 0.612527 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Y\n0.714342 0.214342 0.141179 Ir\n0.073162 0.573162 0.858821 Ir\n0.214342 0.073162 0.500000 Ir\n0.573162 0.714342 0.500000 Ir\n0.285658 0.785658 0.858821 Ir\n0.926838 0.426838 0.141179 Ir\n0.785658 0.926838 0.500000 Ir\n0.426838 0.285658 0.500000 Ir\n0.465362 0.965362 0.808098 Ir\n0.157264 0.657264 0.191902 Ir\n0.965362 0.157264 0.500000 Ir\n0.657264 0.465362 0.500000 Ir\n0.534638 0.034638 0.191902 Ir\n0.842736 0.342736 0.808098 Ir\n0.034638 0.842736 0.500000 Ir\n0.342736 0.534638 0.500000 Ir\n0.596541 0.096541 0.693083 Ir\n0.403459 0.903459 0.306917 Ir\n0.096541 0.403459 0.500000 Ir\n0.903459 0.596541 0.500000 Ir\n0.365629 0.365629 0.000000 Ir\n0.865629 0.865629 0.000000 Ir\n0.634371 0.634371 0.000000 Ir\n0.134371 0.134371 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.750000 0.750000 0.000000 Ir\n",
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{
"id": "mp-1043375",
"created_at": "2022-09-04T14:40:17.522217Z",
"structure_string": "Mg4 Si16 Sn4 O40\n1.0\n7.642813 0.000000 0.000000\n0.000000 7.642813 0.000000\n0.000000 0.000000 15.050762\nMg Si Sn O\n4 16 4 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.137641 0.239286 0.648362 Si\n0.862359 0.760714 0.648362 Si\n0.239286 0.137641 0.851638 Si\n0.739286 0.362359 0.648362 Si\n0.260714 0.637641 0.648362 Si\n0.362359 0.739286 0.851638 Si\n0.637641 0.260714 0.851638 Si\n0.760714 0.862359 0.851638 Si\n0.362359 0.260714 0.351638 Si\n0.637641 0.739286 0.351638 Si\n0.260714 0.362359 0.148362 Si\n0.760714 0.137641 0.351638 Si\n0.239286 0.862359 0.351638 Si\n0.137641 0.760714 0.148362 Si\n0.862359 0.239286 0.148362 Si\n0.739286 0.637641 0.148362 Si\n0.500000 0.000000 0.597542 Sn\n0.000000 0.500000 0.902458 Sn\n0.000000 0.500000 0.402458 Sn\n0.500000 0.000000 0.097542 Sn\n0.200268 0.095300 0.576173 O\n0.799732 0.904700 0.576173 O\n0.095300 0.200268 0.923827 O\n0.595300 0.299732 0.576173 O\n0.404700 0.700268 0.576173 O\n0.299732 0.595300 0.923827 O\n0.700268 0.404700 0.923827 O\n0.904700 0.799732 0.923827 O\n0.299732 0.404700 0.423827 O\n0.700268 0.595300 0.423827 O\n0.404700 0.299732 0.076173 O\n0.904700 0.200268 0.423827 O\n0.095300 0.799732 0.423827 O\n0.200268 0.904700 0.076173 O\n0.799732 0.095300 0.076173 O\n0.266367 0.072138 0.366076 O\n0.595300 0.700268 0.076173 O\n0.766367 0.572138 0.633924 O\n0.427862 0.233633 0.866076 O\n0.927862 0.266367 0.633924 O\n0.072138 0.733633 0.633924 O\n0.266367 0.927862 0.866076 O\n0.733633 0.072138 0.866076 O\n0.572138 0.766367 0.866076 O\n0.676838 0.676838 0.250000 O\n0.823162 0.176838 0.250000 O\n0.176838 0.823162 0.250000 O\n0.323162 0.323162 0.250000 O\n0.823162 0.823162 0.750000 O\n0.676838 0.323162 0.750000 O\n0.323162 0.676838 0.750000 O\n0.176838 0.176838 0.750000 O\n0.927862 0.733633 0.133924 O\n0.766367 0.427862 0.133924 O\n0.233633 0.572138 0.133924 O\n0.427862 0.766367 0.366076 O\n0.572138 0.233633 0.366076 O\n0.072138 0.266367 0.133924 O\n0.733633 0.927862 0.366076 O\n0.233633 0.427862 0.633924 O\n",
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}
]
}