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{
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"results": [
{
"id": "mp-1291920",
"created_at": "2022-09-04T14:45:07.207079Z",
"structure_string": "Sr6 Co4 Cl4 O8\n1.0\n4.220107 0.000367 -0.000463\n2.108952 1.955270 11.324913\n-0.000558 -7.852427 0.005778\nSr Co Cl O\n6 4 4 8\ndirect\n0.999595 0.000021 0.499953 Sr\n0.000326 0.000020 0.000048 Sr\n0.148322 0.703369 0.420647 Sr\n0.149810 0.700156 0.930376 Sr\n0.851540 0.296612 0.579312 Sr\n0.850365 0.299875 0.069705 Sr\n0.416150 0.167678 0.292102 Co\n0.583772 0.832306 0.707903 Co\n0.425762 0.148485 0.787672 Co\n0.574161 0.851574 0.212418 Co\n0.304236 0.391597 0.351499 Cl\n0.293768 0.412703 0.847192 Cl\n0.695831 0.608434 0.648522 Cl\n0.706395 0.587209 0.152741 Cl\n0.079165 0.841802 0.710732 O\n0.077850 0.844352 0.210670 O\n0.574998 0.850052 0.456613 O\n0.576285 0.847650 0.967195 O\n0.920860 0.158198 0.289252 O\n0.922175 0.155627 0.789338 O\n0.424907 0.149885 0.543270 O\n0.423725 0.152396 0.032839 O\n",
"nsites": 22,
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"elements": [
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"Co",
"Cl",
"O"
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"chemical_system": "Cl-Co-O-Sr",
"density": 4.56237505452549,
"density_atomic": 0.05861333097893713,
"volume": 375.34123436707193,
"volume_molar": 10.274353392684802,
"formula_full": "Sr6 Co4 Cl4 O8",
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"energy_per_atom": -6.222750107727273,
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"spacegroup": 12
},
{
"id": "mp-30724",
"created_at": "2022-09-04T14:45:07.229781Z",
"structure_string": "Th2 Hg6\n1.0\n3.419822 -5.923305 0.000000\n3.419822 5.923305 0.000000\n0.000000 0.000000 5.047895\nTh Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Th\n0.666667 0.333333 0.750000 Th\n0.836733 0.673466 0.250000 Hg\n0.163267 0.836733 0.750000 Hg\n0.673466 0.836733 0.750000 Hg\n0.326534 0.163267 0.250000 Hg\n0.836733 0.163267 0.250000 Hg\n0.163267 0.326534 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Hg"
],
"chemical_system": "Hg-Th",
"density": 13.540580272980142,
"density_atomic": 0.039118489885619605,
"volume": 204.50687190102627,
"volume_molar": 15.394614612190864,
"formula_full": "Th2 Hg6",
"formula_reduced": "ThHg3",
"formula_anonymous": "AB3",
"energy": -18.54706942,
"energy_per_atom": -2.3183836775,
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"updated_at": "2021-11-28T01:36:47.949000Z",
"spacegroup": 194
},
{
"id": "mp-1186372",
"created_at": "2022-09-04T14:45:07.253845Z",
"structure_string": "Pa2 Bi1 Te1\n1.0\n0.000000 3.767224 3.767224\n3.767224 0.000000 3.767224\n3.767224 3.767224 0.000000\nPa Bi Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pa\n0.750000 0.750000 0.750000 Pa\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Bi",
"Te"
],
"chemical_system": "Bi-Pa-Te",
"density": 12.402591499685437,
"density_atomic": 0.03740810108155046,
"volume": 106.92871020851645,
"volume_molar": 16.098493604023375,
"formula_full": "Pa2 Bi1 Te1",
"formula_reduced": "Pa2BiTe",
"formula_anonymous": "ABC2",
"energy": -27.90416341,
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"energy_uncorrected": -27.48216341,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:50.624000Z",
"spacegroup": 225
},
{
"id": "mp-977585",
"created_at": "2022-09-04T14:45:07.319678Z",
"structure_string": "Zr3 Tl1\n1.0\n4.491154 0.000000 0.000000\n0.000000 4.491154 0.000000\n0.000000 0.000000 4.491154\nZr Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
"Zr",
"Tl"
],
"chemical_system": "Tl-Zr",
"density": 8.763011739851516,
"density_atomic": 0.04415563655263752,
"volume": 90.58866120595131,
"volume_molar": 13.638441726054754,
"formula_full": "Zr3 Tl1",
"formula_reduced": "Zr3Tl",
"formula_anonymous": "AB3",
"energy": -28.48349796,
"energy_per_atom": -7.12087449,
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"band_gap": 0.0,
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"total_magnetization": 0.0013266,
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"updated_at": "2021-11-28T01:36:52.736000Z",
"spacegroup": 221
},
{
"id": "mp-1224991",
"created_at": "2022-09-04T14:45:07.323418Z",
"structure_string": "K2 Na2 Ca4 Mg15 Si24 O72\n1.0\n9.161551 8.240962 0.000000\n-9.161551 8.240962 0.000000\n0.000000 3.634852 9.495399\nK Na Ca Mg Si O\n2 2 4 15 24 72\ndirect\n0.160544 0.160544 0.353472 K\n0.827526 0.827526 0.686703 K\n0.776168 0.223660 0.499622 Na\n0.223660 0.776168 0.499622 Na\n0.113181 0.553866 0.167668 Ca\n0.445617 0.886862 0.832413 Ca\n0.886862 0.445617 0.832413 Ca\n0.553866 0.113181 0.167668 Ca\n0.178671 0.821418 0.000202 Mg\n0.843986 0.483619 0.335072 Mg\n0.516200 0.156118 0.665063 Mg\n0.483619 0.843986 0.335072 Mg\n0.156118 0.516200 0.665063 Mg\n0.821418 0.178671 0.000202 Mg\n0.333154 0.333154 0.668052 Mg\n0.999534 0.999534 0.000497 Mg\n0.666586 0.666586 0.332326 Mg\n0.261338 0.074260 0.833055 Mg\n0.925816 0.738851 0.166715 Mg\n0.594976 0.404869 0.499965 Mg\n0.738851 0.925816 0.166715 Mg\n0.404869 0.594976 0.499965 Mg\n0.074260 0.261338 0.833055 Mg\n0.411725 0.243512 0.948438 Si\n0.076361 0.906217 0.281619 Si\n0.743302 0.573608 0.614262 Si\n0.573608 0.743302 0.614262 Si\n0.243512 0.411725 0.948438 Si\n0.906217 0.076361 0.281619 Si\n0.588130 0.756523 0.051947 Si\n0.256738 0.426205 0.385532 Si\n0.923585 0.093729 0.718432 Si\n0.426205 0.256738 0.385532 Si\n0.093729 0.923585 0.718432 Si\n0.756523 0.588130 0.051947 Si\n0.331306 0.990162 0.124837 Si\n0.998600 0.655089 0.457065 Si\n0.665052 0.322253 0.792337 Si\n0.322253 0.665052 0.792337 Si\n0.990162 0.331306 0.124837 Si\n0.655089 0.998600 0.457065 Si\n0.668374 0.010244 0.875481 Si\n0.334872 0.677557 0.207689 Si\n0.001061 0.345293 0.543191 Si\n0.677557 0.334872 0.207689 Si\n0.345293 0.001061 0.543191 Si\n0.010244 0.668374 0.875481 Si\n0.467790 0.467790 0.616878 O\n0.134320 0.134320 0.952655 O\n0.801135 0.801135 0.285712 O\n0.865412 0.865412 0.046491 O\n0.532080 0.532080 0.382816 O\n0.198841 0.198841 0.712989 O\n0.436226 0.945535 0.176266 O\n0.100722 0.605057 0.507754 O\n0.770454 0.277269 0.843497 O\n0.277269 0.770454 0.843497 O\n0.945535 0.436226 0.176266 O\n0.605057 0.100722 0.507754 O\n0.563548 0.054302 0.823826 O\n0.229528 0.722490 0.156462 O\n0.898848 0.394557 0.492676 O\n0.722490 0.229528 0.156462 O\n0.394557 0.898848 0.492676 O\n0.054302 0.563548 0.823826 O\n0.387515 0.211938 0.811211 O\n0.053636 0.877017 0.142783 O\n0.720046 0.544544 0.476106 O\n0.544544 0.720046 0.476106 O\n0.211938 0.387515 0.811211 O\n0.877017 0.053636 0.142783 O\n0.612383 0.787890 0.188998 O\n0.279978 0.455337 0.523704 O\n0.946314 0.122656 0.857341 O\n0.455337 0.279978 0.523704 O\n0.122656 0.946314 0.857341 O\n0.787890 0.612383 0.188998 O\n0.305695 0.958229 0.987049 O\n0.970500 0.624568 0.319380 O\n0.634696 0.293167 0.657056 O\n0.624568 0.970500 0.319380 O\n0.293167 0.634696 0.657056 O\n0.958229 0.305695 0.987049 O\n0.693971 0.041923 0.013257 O\n0.365288 0.706715 0.342892 O\n0.029254 0.375401 0.680989 O\n0.375401 0.029254 0.680989 O\n0.041923 0.693971 0.013257 O\n0.706715 0.365288 0.342892 O\n0.367862 0.132898 0.089538 O\n0.031242 0.797568 0.421950 O\n0.704789 0.464866 0.755151 O\n0.464866 0.704789 0.755151 O\n0.132898 0.367862 0.089538 O\n0.797568 0.031242 0.421950 O\n0.632742 0.867129 0.910525 O\n0.295309 0.535006 0.244682 O\n0.969440 0.202310 0.578025 O\n0.535006 0.295309 0.244682 O\n0.202310 0.969439 0.578025 O\n0.867129 0.632742 0.910525 O\n0.548411 0.280209 0.930347 O\n0.211769 0.954957 0.257434 O\n0.879278 0.619547 0.593365 O\n0.619547 0.879278 0.593365 O\n0.280209 0.548411 0.930347 O\n0.954957 0.211769 0.257434 O\n0.451712 0.719654 0.069600 O\n0.120567 0.380405 0.407143 O\n0.788110 0.044851 0.743151 O\n0.380405 0.120567 0.407143 O\n0.044851 0.788110 0.743151 O\n0.719654 0.451712 0.069600 O\n0.676334 0.676334 0.651424 O\n0.345113 0.345113 0.986075 O\n0.008864 0.008864 0.319037 O\n0.655809 0.655809 0.012691 O\n0.323016 0.323016 0.348653 O\n0.991141 0.991141 0.680001 O\n",
"nsites": 119,
"nelements": 6,
"elements": [
"K",
"Na",
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-K-Mg-Na-O-Si",
"density": 2.8664659967245343,
"density_atomic": 0.08299593692264415,
"volume": 1433.8051284475916,
"volume_molar": 7.255946475564099,
"formula_full": "K2 Na2 Ca4 Mg15 Si24 O72",
"formula_reduced": "K2Na2Ca4Mg15(SiO3)24",
"formula_anonymous": "A2B2C4D15E24F72",
"energy": -892.22911632,
"energy_per_atom": -7.497723666554622,
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"updated_at": "2021-11-28T01:36:47.393000Z",
"spacegroup": 8
},
{
"id": "mp-1314680",
"created_at": "2022-09-04T14:45:07.327005Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.802314 0.094355 0.694159\n-0.881076 9.887896 1.863299\n-2.444002 -0.146741 9.453802\nLi Mn Co O\n10 4 2 16\ndirect\n0.500002 0.750002 0.000000 Li\n0.000000 0.749997 0.500001 Li\n0.997085 0.124958 0.254861 Li\n0.503949 0.125130 0.751386 Li\n0.496051 0.374871 0.248613 Li\n0.002918 0.375039 0.745140 Li\n0.993526 0.640405 0.246062 Li\n0.490999 0.639586 0.746046 Li\n0.509005 0.860417 0.253956 Li\n0.006477 0.859597 0.753937 Li\n0.498361 0.994674 0.505506 Mn\n0.501633 0.505317 0.494494 Mn\n0.006465 0.989732 0.006549 Mn\n0.993521 0.510284 0.993440 Mn\n0.000000 0.249997 0.500000 Co\n0.500002 0.250002 0.000000 Co\n0.510815 0.058754 0.113732 O\n0.002592 0.068707 0.609324 O\n0.997407 0.431287 0.390678 O\n0.489186 0.441250 0.886268 O\n0.978110 0.315045 0.112770 O\n0.504862 0.311716 0.606973 O\n0.495138 0.188277 0.393027 O\n0.021894 0.184960 0.887230 O\n0.497719 0.553185 0.108074 O\n0.006631 0.550581 0.607801 O\n0.993367 0.949414 0.392201 O\n0.502281 0.946819 0.891926 O\n0.004148 0.826717 0.120866 O\n0.500595 0.831099 0.620628 O\n0.499406 0.668896 0.379374 O\n0.995856 0.673286 0.879136 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9328382654778697,
"density_atomic": 0.1143091547040674,
"volume": 279.9425827515227,
"volume_molar": 5.268292618898807,
"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -213.79116724,
"energy_per_atom": -6.68097397625,
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"updated_at": "2021-11-28T01:36:52.498000Z",
"spacegroup": 2
},
{
"id": "mp-1206105",
"created_at": "2022-09-04T14:45:07.588171Z",
"structure_string": "Ca2 In2 I6\n1.0\n2.309298 -7.566953 0.000000\n2.309298 7.566953 0.000000\n0.000000 0.000000 11.725476\nCa In I\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.248316 0.751684 0.250000 In\n0.751684 0.248316 0.750000 In\n0.637222 0.362778 0.055355 I\n0.362778 0.637222 0.944645 I\n0.362778 0.637222 0.555355 I\n0.637222 0.362778 0.444645 I\n0.919997 0.080003 0.250000 I\n0.080003 0.919997 0.750000 I\n",
"nsites": 10,
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"elements": [
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"In",
"I"
],
"chemical_system": "Ca-I-In",
"density": 4.3407602345872345,
"density_atomic": 0.02440273514530729,
"volume": 409.7901296905657,
"volume_molar": 24.678138430552423,
"formula_full": "Ca2 In2 I6",
"formula_reduced": "CaInI3",
"formula_anonymous": "ABC3",
"energy": -32.43666941,
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"updated_at": "2021-11-28T01:36:51.350000Z",
"spacegroup": 63
},
{
"id": "mp-772727",
"created_at": "2022-09-04T14:45:07.126370Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.697223 0.000000 0.000000\n0.126564 8.630509 0.000000\n0.013917 0.432860 10.000311\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.498073 0.752623 0.374557 Na\n0.501927 0.247377 0.625443 Na\n0.764961 0.911618 0.126137 Li\n0.769274 0.913369 0.629015 Li\n0.970939 0.728483 0.385779 Li\n0.970332 0.730222 0.883099 Li\n0.526981 0.734391 0.881757 Li\n0.473019 0.265609 0.118243 Li\n0.029668 0.269778 0.116901 Li\n0.029061 0.271517 0.614221 Li\n0.230726 0.086631 0.370985 Li\n0.235039 0.088382 0.873863 Li\n0.246822 0.650195 0.109412 Mn\n0.245839 0.645089 0.614318 Mn\n0.754161 0.354911 0.385682 Mn\n0.753178 0.349805 0.890588 Mn\n0.752909 0.591951 0.141784 P\n0.753846 0.592498 0.645763 P\n0.246154 0.407502 0.354237 P\n0.247091 0.408049 0.858216 P\n0.248292 0.962651 0.135116 C\n0.239705 0.956808 0.639912 C\n0.760295 0.043192 0.360088 C\n0.751708 0.037349 0.864884 C\n0.778384 0.899648 0.326477 O\n0.747520 0.891946 0.834011 O\n0.246853 0.922078 0.012687 O\n0.250301 0.921366 0.515328 O\n0.244422 0.856902 0.232172 O\n0.246970 0.848510 0.734402 O\n0.930500 0.687487 0.083093 O\n0.564647 0.688527 0.096996 O\n0.927262 0.697818 0.593766 O\n0.560864 0.679202 0.599696 O\n0.768720 0.581979 0.297521 O\n0.228988 0.574477 0.405941 O\n0.758542 0.579354 0.802537 O\n0.251988 0.577356 0.905196 O\n0.748012 0.422644 0.094804 O\n0.241458 0.420646 0.197463 O\n0.771012 0.425523 0.594059 O\n0.231280 0.418021 0.702479 O\n0.439136 0.320798 0.400304 O\n0.072738 0.302182 0.406234 O\n0.435353 0.311473 0.903004 O\n0.069500 0.312513 0.916907 O\n0.753030 0.151490 0.265598 O\n0.755578 0.143098 0.767828 O\n0.749699 0.078634 0.484672 O\n0.753147 0.077922 0.987313 O\n0.252480 0.108054 0.165989 O\n0.221616 0.100352 0.673523 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7436981824682953,
"density_atomic": 0.08996191000055219,
"volume": 578.0224097029601,
"volume_molar": 6.694100603203107,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.46722948,
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