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{
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"results": [
{
"id": "mp-1100676",
"created_at": "2022-09-04T14:44:10.522173Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.449651 10.534617 0.000000\n-1.449651 10.534617 0.000000\n0.000000 4.019897 9.419530\nLi Mn Co O\n9 2 5 16\ndirect\n0.622918 0.622918 0.814736 Li\n0.882713 0.882713 0.429247 Li\n0.115300 0.115300 0.080466 Li\n0.122890 0.122890 0.568154 Li\n0.381562 0.381562 0.188594 Li\n0.619856 0.619856 0.317781 Li\n0.876523 0.876523 0.932782 Li\n0.379664 0.379664 0.675007 Li\n0.497904 0.497904 0.251384 Li\n0.998184 0.998184 0.008256 Mn\n0.250473 0.250473 0.123842 Mn\n0.249035 0.249035 0.627880 Co\n0.747826 0.747826 0.871024 Co\n0.004448 0.004448 0.477882 Co\n0.499145 0.499145 0.745347 Co\n0.752083 0.752083 0.375841 Co\n0.555517 0.555517 0.026443 O\n0.807765 0.807765 0.658530 O\n0.062353 0.062353 0.291546 O\n0.053542 0.053542 0.792617 O\n0.306328 0.306328 0.405747 O\n0.557772 0.557772 0.535983 O\n0.806514 0.806514 0.146604 O\n0.303437 0.303437 0.920475 O\n0.692209 0.692209 0.592554 O\n0.941781 0.941781 0.199908 O\n0.189676 0.189676 0.844899 O\n0.201181 0.201181 0.332395 O\n0.443953 0.443953 0.969589 O\n0.693331 0.693331 0.102634 O\n0.941471 0.941471 0.721345 O\n0.442646 0.442646 0.470508 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 8
},
{
"id": "mp-1224870",
"created_at": "2022-09-04T14:44:10.531986Z",
"structure_string": "Ga5 Ag13\n1.0\n2.974301 0.000000 0.000000\n0.041282 7.898725 0.000000\n0.015570 0.011863 13.481961\nGa Ag\n5 13\ndirect\n0.749857 0.000108 0.333494 Ga\n0.250370 0.999879 0.667343 Ga\n0.248929 0.500685 0.166504 Ga\n0.999155 0.000289 0.999265 Ga\n0.998998 0.499985 0.500080 Ga\n0.253161 0.669407 0.987909 Ag\n0.251549 0.165018 0.484042 Ag\n0.252673 0.647336 0.671393 Ag\n0.252225 0.143872 0.175544 Ag\n0.252909 0.185254 0.840645 Ag\n0.253209 0.689979 0.340295 Ag\n0.747882 0.834900 0.514715 Ag\n0.747292 0.332047 0.018183 Ag\n0.747810 0.859579 0.824603 Ag\n0.748638 0.356097 0.324975 Ag\n0.747417 0.306304 0.657280 Ag\n0.748305 0.809179 0.160358 Ag\n0.749621 0.500080 0.833373 Ag\n",
"nsites": 18,
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"elements": [
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],
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"density": 9.179433070360966,
"density_atomic": 0.056829983203207576,
"volume": 316.7342129178045,
"volume_molar": 10.59676674277127,
"formula_full": "Ga5 Ag13",
"formula_reduced": "Ga5Ag13",
"formula_anonymous": "A5B13",
"energy": -52.44795099000001,
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"updated_at": "2021-11-28T01:36:26.864000Z",
"spacegroup": 1
},
{
"id": "mp-775012",
"created_at": "2022-09-04T14:44:10.495843Z",
"structure_string": "Li6 Co4 P6 O24\n1.0\n7.790146 -4.159137 0.000000\n7.790146 4.159137 0.000000\n5.569594 0.000000 6.853059\nLi Co P O\n6 4 6 24\ndirect\n0.668363 0.264129 0.920741 Li\n0.264129 0.920741 0.668363 Li\n0.920741 0.668363 0.264129 Li\n0.079259 0.331637 0.735871 Li\n0.735871 0.079259 0.331637 Li\n0.331637 0.735871 0.079259 Li\n0.852346 0.852346 0.852346 Co\n0.652780 0.652780 0.652780 Co\n0.347220 0.347220 0.347220 Co\n0.147654 0.147654 0.147654 Co\n0.257839 0.538329 0.957552 P\n0.957552 0.257839 0.538329 P\n0.538329 0.957552 0.257839 P\n0.461671 0.042448 0.742161 P\n0.042448 0.742161 0.461671 P\n0.742161 0.461671 0.042448 P\n0.784769 0.467849 0.839113 O\n0.467849 0.839113 0.784769 O\n0.839113 0.784769 0.467849 O\n0.474861 0.505897 0.825611 O\n0.123945 0.746490 0.873036 O\n0.204940 0.384335 0.986743 O\n0.873036 0.123945 0.746490 O\n0.825611 0.474861 0.505897 O\n0.505897 0.825611 0.474861 O\n0.615665 0.013257 0.795060 O\n0.253510 0.126964 0.876055 O\n0.013257 0.795060 0.615665 O\n0.986743 0.204940 0.384335 O\n0.746490 0.873036 0.123945 O\n0.384335 0.986743 0.204940 O\n0.494103 0.174389 0.525139 O\n0.174389 0.525139 0.494103 O\n0.126964 0.876055 0.253510 O\n0.795060 0.615665 0.013257 O\n0.876055 0.253510 0.126964 O\n0.525139 0.494103 0.174389 O\n0.160887 0.215231 0.532151 O\n0.532151 0.160887 0.215231 O\n0.215231 0.532151 0.160887 O\n",
"nsites": 40,
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"elements": [
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"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.167928117996286,
"density_atomic": 0.09007343013742584,
"volume": 444.0821220971782,
"volume_molar": 6.685812620671785,
"formula_full": "Li6 Co4 P6 O24",
"formula_reduced": "Li3Co2(PO4)3",
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"energy": -283.05046173,
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"updated_at": "2021-11-28T01:36:26.884000Z",
"spacegroup": 148
},
{
"id": "mp-1032036",
"created_at": "2022-09-04T14:44:10.502511Z",
"structure_string": "Mg6 Zn1 Sn1 O8\n1.0\n8.869490 -0.000000 0.000000\n0.000000 4.439153 0.000000\n0.000000 0.000000 4.439153\nMg Zn Sn O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262996 0.000000 0.500000 Mg\n0.737004 -0.000000 0.500000 Mg\n0.262996 0.500000 0.000000 Mg\n0.737004 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n0.260133 0.000000 -0.000000 O\n0.739867 -0.000000 0.000000 O\n0.271787 0.500000 0.500000 O\n0.728213 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
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"elements": [
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"Zn",
"Sn",
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],
"chemical_system": "Mg-O-Sn-Zn",
"density": 4.350736533226578,
"density_atomic": 0.09154214970931146,
"volume": 174.78287379974557,
"volume_molar": 6.57854417787115,
"formula_full": "Mg6 Zn1 Sn1 O8",
"formula_reduced": "Mg6ZnSnO8",
"formula_anonymous": "ABC6D8",
"energy": -94.42175629,
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"updated_at": "2021-11-28T01:36:30.525000Z",
"spacegroup": 123
},
{
"id": "mp-1197055",
"created_at": "2022-09-04T14:44:10.507878Z",
"structure_string": "Cd2 H24 C8 I4 N8 O8\n1.0\n-6.706362 0.000000 -4.329453\n6.706362 0.000000 -4.329453\n0.000000 -14.048134 4.329453\nCd H C I N O\n2 24 8 4 8 8\ndirect\n0.806708 0.306708 0.500000 Cd\n0.556708 0.556708 0.000000 Cd\n0.482490 0.996011 0.735211 H\n0.260800 0.747278 0.264789 H\n0.246011 0.232490 0.235211 H\n0.997278 0.010800 0.764789 H\n0.702268 0.062790 0.810871 H\n0.251919 0.891397 0.189129 H\n0.312790 0.452268 0.310871 H\n0.141397 0.001919 0.689129 H\n0.386265 0.628045 0.515249 H\n0.112796 0.871016 0.484751 H\n0.878045 0.136265 0.015249 H\n0.121016 0.862796 0.984751 H\n0.532514 0.800348 0.464645 H\n0.335703 0.067869 0.535355 H\n0.050348 0.282514 0.964645 H\n0.317869 0.085703 0.035355 H\n0.868172 0.211321 0.708081 H\n0.503239 0.160091 0.291919 H\n0.461321 0.618172 0.208081 H\n0.410091 0.253239 0.791919 H\n0.735182 0.665151 0.453172 H\n0.211979 0.282010 0.546828 H\n0.915151 0.485182 0.953172 H\n0.532010 0.961979 0.046828 H\n0.711539 0.146526 0.686091 C\n0.460435 0.025448 0.313909 C\n0.396526 0.461539 0.186091 C\n0.275448 0.210435 0.813909 C\n0.612561 0.592346 0.482123 C\n0.110223 0.130439 0.517877 C\n0.842346 0.362561 0.982123 C\n0.380439 0.860223 0.017877 C\n0.114608 0.583092 0.653731 I\n0.929361 0.460877 0.346269 I\n0.833092 0.864608 0.153731 I\n0.710877 0.679361 0.846269 I\n0.626156 0.071724 0.751030 N\n0.320694 0.875127 0.248970 N\n0.321724 0.376156 0.251030 N\n0.125127 0.070694 0.748970 N\n0.498077 0.676149 0.484832 N\n0.191317 0.013245 0.515168 N\n0.926149 0.248077 0.984832 N\n0.263245 0.941317 0.015168 N\n0.626181 0.146754 0.607189 O\n0.539565 0.018992 0.392811 O\n0.396754 0.376181 0.107189 O\n0.268992 0.289565 0.892811 O\n0.584110 0.442258 0.507170 O\n0.935088 0.076939 0.492830 O\n0.692258 0.334110 0.007170 O\n0.326939 0.685088 0.992830 O\n",
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],
"chemical_system": "C-Cd-H-I-N-O",
"density": 2.224370629186535,
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"formula_full": "Cd2 H24 C8 I4 N8 O8",
"formula_reduced": "CdH12C4I2(NO)4",
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"energy": -307.42318478,
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"spacegroup": 43
},
{
"id": "mp-1215429",
"created_at": "2022-09-04T14:44:10.546944Z",
"structure_string": "Zn1 Sn1 P2\n1.0\n4.027719 0.000000 0.000000\n0.000000 4.027719 0.000000\n0.000000 0.000000 5.708419\nZn Sn P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.227092 P\n0.500000 0.000000 0.772908 P\n",
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"volume": 92.6049433536451,
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"formula_full": "Zn1 Sn1 P2",
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{
"id": "mp-1208066",
"created_at": "2022-09-04T14:44:10.547214Z",
"structure_string": "Tm4 Cu20 Sn4\n1.0\n4.991522 0.000000 0.000000\n0.000000 8.205969 0.000000\n0.000000 0.000000 10.584744\nTm Cu Sn\n4 20 4\ndirect\n0.250000 0.751975 0.063457 Tm\n0.750000 0.248025 0.936543 Tm\n0.750000 0.748025 0.563457 Tm\n0.250000 0.251975 0.436543 Tm\n0.250000 0.813630 0.745207 Cu\n0.750000 0.186370 0.254793 Cu\n0.750000 0.686370 0.245207 Cu\n0.250000 0.313630 0.754793 Cu\n0.501635 0.565226 0.813123 Cu\n0.498365 0.434774 0.186877 Cu\n0.498365 0.934774 0.313123 Cu\n0.001635 0.434774 0.186877 Cu\n0.501635 0.065226 0.686877 Cu\n0.998365 0.565226 0.813123 Cu\n0.998365 0.065226 0.686877 Cu\n0.001635 0.934774 0.313123 Cu\n0.250000 0.912308 0.517637 Cu\n0.750000 0.087692 0.482363 Cu\n0.750000 0.587692 0.017637 Cu\n0.250000 0.412308 0.982363 Cu\n0.250000 0.558366 0.601915 Cu\n0.750000 0.441634 0.398085 Cu\n0.750000 0.941634 0.101915 Cu\n0.250000 0.058366 0.898085 Cu\n0.250000 0.640082 0.361324 Sn\n0.750000 0.359918 0.638675 Sn\n0.750000 0.859918 0.861325 Sn\n0.250000 0.140082 0.138676 Sn\n",
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{
"id": "mp-1245694",
"created_at": "2022-09-04T14:44:10.548942Z",
"structure_string": "Cr4 Ni6 N8\n1.0\n5.626550 -0.188395 -0.020332\n-4.456779 5.695226 0.000000\n-0.101479 -0.079412 5.488453\nCr Ni N\n4 6 8\ndirect\n0.628376 0.189163 0.638359 Cr\n0.371624 0.560787 0.861641 Cr\n0.371624 0.810837 0.361641 Cr\n0.628376 0.439213 0.138359 Cr\n0.229801 0.007469 0.006423 Ni\n0.770199 0.777667 0.493577 Ni\n0.770199 0.992531 0.993577 Ni\n0.229801 0.222333 0.506423 Ni\n0.000000 0.651164 0.750000 Ni\n0.000000 0.348836 0.250000 Ni\n0.213207 0.935675 0.522685 N\n0.786793 0.722468 0.977315 N\n0.786793 0.064325 0.477315 N\n0.213207 0.277532 0.022685 N\n0.683901 0.241246 0.973267 N\n0.316099 0.557345 0.526733 N\n0.316099 0.758754 0.026733 N\n0.683901 0.442655 0.473267 N\n",
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"formula_full": "Cr4 Ni6 N8",
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{
"id": "mp-1522792",
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"structure_string": "Ba1 Na1 Sr1 Mn1 O6\n1.0\n-0.000000 -4.126141 -4.126141\n4.126141 -0.000000 -4.126141\n4.126141 -4.126141 0.000000\nBa Na Sr Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 -0.000000 Mn\n0.771053 0.228947 0.228947 O\n0.228947 0.771053 0.771053 O\n0.771053 0.228947 0.771053 O\n0.228947 0.771053 0.228947 O\n0.771053 0.771053 0.228947 O\n0.228947 0.228947 0.771053 O\n",
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"formula_full": "Ba1 Na1 Sr1 Mn1 O6",
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{
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