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{
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"results": [
{
"id": "mp-1188160",
"created_at": "2022-09-04T14:40:26.242869Z",
"structure_string": "Dy10 Ir6\n1.0\n0.000000 0.000000 -6.231423\n-4.163130 -7.210752 0.000000\n-4.166962 7.212965 0.000000\nDy Ir\n10 6\ndirect\n0.500000 0.333327 0.666688 Dy\n0.500000 0.666640 0.333312 Dy\n0.000000 0.666673 0.333312 Dy\n0.000000 0.333361 0.666688 Dy\n0.750014 0.259103 0.000000 Dy\n0.749994 0.740808 0.740795 Dy\n0.749994 0.000013 0.259205 Dy\n0.250014 0.740897 0.000000 Dy\n0.249994 0.259192 0.259205 Dy\n0.249994 0.999987 0.740795 Dy\n0.749996 0.609480 0.000000 Ir\n0.750001 0.390503 0.390487 Ir\n0.750001 0.000016 0.609513 Ir\n0.249996 0.390520 0.000000 Ir\n0.250001 0.609497 0.609513 Ir\n0.250001 0.999984 0.390487 Ir\n",
"nsites": 16,
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"elements": [
"Dy",
"Ir"
],
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"density": 12.323791774012225,
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"volume": 374.35548201500603,
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"formula_full": "Dy10 Ir6",
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"formula_anonymous": "A3B5",
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"updated_at": "2021-11-28T01:34:55.093000Z",
"spacegroup": 193
},
{
"id": "mp-1022455",
"created_at": "2022-09-04T14:40:26.238996Z",
"structure_string": "Mg12 Zr2 Sb2\n1.0\n5.306435 0.000000 0.000000\n0.000000 6.073911 0.000000\n0.000000 0.000000 11.244756\nMg Zr Sb\n12 2 2\ndirect\n0.500000 0.247884 0.417649 Mg\n0.500000 0.752116 0.417649 Mg\n0.000000 0.756004 0.080332 Mg\n0.000000 0.243996 0.080332 Mg\n0.000000 0.000000 0.331254 Mg\n0.000000 0.500000 0.335299 Mg\n0.500000 0.747884 0.917649 Mg\n0.500000 0.252116 0.917649 Mg\n0.000000 0.256004 0.580332 Mg\n0.000000 0.743996 0.580332 Mg\n0.000000 0.500000 0.831254 Mg\n0.000000 0.000000 0.835299 Mg\n0.500000 0.000000 0.170191 Zr\n0.500000 0.500000 0.670191 Zr\n0.500000 0.500000 0.167291 Sb\n0.500000 0.000000 0.667291 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Sb"
],
"chemical_system": "Mg-Sb-Zr",
"density": 3.2879648342105794,
"density_atomic": 0.044146743554908864,
"volume": 362.427638181274,
"volume_molar": 13.64118907776239,
"formula_full": "Mg12 Zr2 Sb2",
"formula_reduced": "Mg6ZrSb",
"formula_anonymous": "ABC6",
"energy": -45.87886812,
"energy_per_atom": -2.8674292575,
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"energy_uncorrected": -45.49486812,
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"updated_at": "2021-11-28T01:35:01.744000Z",
"spacegroup": 38
},
{
"id": "mp-755589",
"created_at": "2022-09-04T14:40:26.234696Z",
"structure_string": "Mn6 O2 F10\n1.0\n3.236542 0.000000 0.000000\n0.000000 4.922854 0.000000\n0.000000 0.000000 14.706014\nMn O F\n6 2 10\ndirect\n0.000000 0.773375 0.005883 Mn\n0.000000 0.725838 0.333194 Mn\n0.000000 0.781561 0.658276 Mn\n0.500000 0.218439 0.158276 Mn\n0.500000 0.226625 0.505883 Mn\n0.500000 0.274162 0.833194 Mn\n0.500000 0.949486 0.599909 O\n0.000000 0.050514 0.099909 O\n0.500000 0.932300 0.271682 F\n0.500000 0.957743 0.934488 F\n0.000000 0.067700 0.771682 F\n0.000000 0.042257 0.434488 F\n0.000000 0.421001 0.227547 F\n0.000000 0.436335 0.565884 F\n0.000000 0.475526 0.903136 F\n0.500000 0.563665 0.065884 F\n0.500000 0.524474 0.403136 F\n0.500000 0.578999 0.727547 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.9092092508045835,
"density_atomic": 0.07682088871045746,
"volume": 234.31127004847704,
"volume_molar": 7.839196943812781,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy": -133.04126144,
"energy_per_atom": -7.391181191111111,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:55.097000Z",
"spacegroup": 31
},
{
"id": "mp-756403",
"created_at": "2022-09-04T14:40:26.232961Z",
"structure_string": "Li3 Ni2 Sb1 O6\n1.0\n1.530540 6.398649 0.000000\n-1.530540 6.398649 0.000000\n0.000000 1.428076 6.005288\nLi Ni Sb O\n3 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.676937 0.676937 0.697410 Li\n0.323063 0.323063 0.302590 Li\n0.671777 0.671777 0.147016 Ni\n0.328223 0.328223 0.852984 Ni\n0.000000 0.000000 0.500000 Sb\n0.156335 0.156335 0.407919 O\n0.836270 0.836270 0.072119 O\n0.843665 0.843665 0.592081 O\n0.503641 0.503641 0.721811 O\n0.496359 0.496359 0.278189 O\n0.163730 0.163730 0.927881 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sb",
"O"
],
"chemical_system": "Li-Ni-O-Sb",
"density": 5.025289114294883,
"density_atomic": 0.10201979317060246,
"volume": 117.62423375955112,
"volume_molar": 5.902914104059674,
"formula_full": "Li3 Ni2 Sb1 O6",
"formula_reduced": "Li3Ni2SbO6",
"formula_anonymous": "AB2C3D6",
"energy": -72.79575065,
"energy_per_atom": -6.066312554166667,
"energy_above_hull": null,
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"energy_uncorrected": -63.59175065,
"band_gap": 1.2584999999999995,
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"updated_at": "2021-11-28T01:34:55.106000Z",
"spacegroup": 12
},
{
"id": "mp-1221800",
"created_at": "2022-09-04T14:40:26.231832Z",
"structure_string": "Na6 Mg9 Mo12 O48\n1.0\n9.906149 0.000000 0.000000\n-4.590030 -9.371290 0.000000\n-2.689301 0.501209 -12.165730\nNa Mg Mo O\n6 9 12 48\ndirect\n0.758124 0.559343 0.210461 Na\n0.015192 0.514167 0.507505 Na\n0.475044 0.482860 0.984911 Na\n0.541163 0.805441 0.247911 Na\n0.040331 0.801209 0.747125 Na\n0.960050 0.197658 0.253794 Na\n0.919203 0.605551 0.958615 Mg\n0.417404 0.604281 0.462352 Mg\n0.086334 0.396814 0.038846 Mg\n0.585360 0.397707 0.541765 Mg\n0.626806 0.981748 0.829026 Mg\n0.127750 0.981901 0.329098 Mg\n0.371095 0.016870 0.171381 Mg\n0.867618 0.016508 0.669617 Mg\n0.470801 0.198277 0.749575 Mg\n0.356654 0.333708 0.261596 Mo\n0.850981 0.330948 0.762985 Mo\n0.643516 0.666681 0.738671 Mo\n0.144895 0.666695 0.238401 Mo\n0.689092 0.262623 0.021938 Mo\n0.193751 0.259994 0.530119 Mo\n0.310431 0.738610 0.974822 Mo\n0.809831 0.738785 0.476289 Mo\n0.824836 0.868579 0.080893 Mo\n0.324248 0.873001 0.582255 Mo\n0.183988 0.132531 0.912690 Mo\n0.676701 0.134199 0.419405 Mo\n0.654777 0.751019 0.127596 O\n0.147523 0.757462 0.618795 O\n0.358756 0.228801 0.859237 O\n0.852147 0.245752 0.378623 O\n0.450353 0.004568 0.698169 O\n0.960041 0.988143 0.194446 O\n0.541498 0.015384 0.304380 O\n0.037718 0.010876 0.806045 O\n0.776555 0.966118 0.968715 O\n0.277329 0.964122 0.466313 O\n0.225817 0.037991 0.028490 O\n0.719032 0.034575 0.532616 O\n0.894665 0.748021 0.044421 O\n0.397867 0.758284 0.543094 O\n0.124467 0.255856 0.957022 O\n0.605455 0.249723 0.461970 O\n0.497916 0.422534 0.182881 O\n0.982896 0.421455 0.681119 O\n0.505392 0.577774 0.816626 O\n0.997765 0.580095 0.312531 O\n0.429583 0.418730 0.400292 O\n0.927838 0.420268 0.900320 O\n0.569834 0.576542 0.601118 O\n0.068609 0.576423 0.101730 O\n0.315578 0.146661 0.259313 O\n0.818314 0.146077 0.763189 O\n0.680297 0.854091 0.738941 O\n0.184292 0.853880 0.239002 O\n0.556748 0.171245 0.106514 O\n0.053446 0.171519 0.609326 O\n0.444338 0.829501 0.889860 O\n0.939841 0.823947 0.387097 O\n0.619656 0.168574 0.886191 O\n0.134144 0.160971 0.400779 O\n0.371623 0.838422 0.104371 O\n0.873867 0.840518 0.604988 O\n0.712959 0.445356 0.014416 O\n0.216194 0.439600 0.506615 O\n0.289261 0.558950 0.997943 O\n0.789494 0.558631 0.496067 O\n0.672061 0.341825 0.698919 O\n0.188681 0.353393 0.192588 O\n0.310135 0.644269 0.309334 O\n0.811726 0.645417 0.806939 O\n0.869680 0.265539 0.086816 O\n0.374992 0.262574 0.606841 O\n0.126756 0.729718 0.908253 O\n0.625836 0.727815 0.408157 O\n",
"nsites": 75,
"nelements": 4,
"elements": [
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"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-Na-O",
"density": 3.3463126068977394,
"density_atomic": 0.06640776379170109,
"volume": 1129.38601931018,
"volume_molar": 9.068428774215976,
"formula_full": "Na6 Mg9 Mo12 O48",
"formula_reduced": "Na2Mg3(MoO4)4",
"formula_anonymous": "A2B3C4D16",
"energy": -566.52376597,
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"updated_at": "2021-11-28T01:34:49.751000Z",
"spacegroup": 1
},
{
"id": "mp-1187204",
"created_at": "2022-09-04T14:40:26.226552Z",
"structure_string": "Ta3 Pt1\n1.0\n0.000000 3.265595 3.265595\n3.265595 0.000000 3.265595\n3.265595 3.265595 0.000000\nTa Pt\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Pt\n",
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"density": 17.593243444534462,
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"volume": 69.64933318902104,
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"formula_full": "Ta3 Pt1",
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"energy": -42.57211506,
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{
"id": "mp-1218826",
"created_at": "2022-09-04T14:40:26.224888Z",
"structure_string": "Sr14 Mg16 P24 O90\n1.0\n21.723749 5.921288 0.000000\n-21.723749 5.921288 0.000000\n0.000000 0.014004 7.306644\nSr Mg P O\n14 16 24 90\ndirect\n0.066667 0.510968 0.254269 Sr\n0.399266 0.177296 0.252949 Sr\n0.735626 0.846225 0.251605 Sr\n0.489032 0.933333 0.745731 Sr\n0.822704 0.600734 0.747051 Sr\n0.153775 0.264374 0.748395 Sr\n0.600734 0.822704 0.747051 Sr\n0.933333 0.489032 0.745731 Sr\n0.264374 0.153775 0.748395 Sr\n0.177296 0.399266 0.252949 Sr\n0.510968 0.066667 0.254269 Sr\n0.846225 0.735626 0.251605 Sr\n0.333402 0.666598 0.000000 Sr\n0.666598 0.333402 0.000000 Sr\n0.443878 0.556122 0.000000 Mg\n0.775740 0.224260 0.000000 Mg\n0.108944 0.891056 0.000000 Mg\n0.444828 0.555172 0.500000 Mg\n0.778210 0.221790 0.500000 Mg\n0.110390 0.889610 0.500000 Mg\n0.224260 0.775740 0.000000 Mg\n0.556122 0.443878 0.000000 Mg\n0.891056 0.108944 0.000000 Mg\n0.221790 0.778210 0.500000 Mg\n0.555172 0.444828 0.500000 Mg\n0.889610 0.110390 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333380 0.666620 0.500000 Mg\n0.666620 0.333380 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.644098 0.977415 0.031056 P\n0.977415 0.644098 0.031056 P\n0.300111 0.300111 0.033044 P\n0.022585 0.355902 0.968944 P\n0.355902 0.022585 0.968944 P\n0.699889 0.699889 0.966956 P\n0.633994 0.966977 0.464533 P\n0.966977 0.633994 0.464533 P\n0.299704 0.299704 0.466449 P\n0.033023 0.366006 0.535467 P\n0.366006 0.033023 0.535467 P\n0.700296 0.700296 0.533551 P\n0.339655 0.801553 0.259392 P\n0.673008 0.468552 0.258885 P\n0.007410 0.133938 0.250133 P\n0.198447 0.660345 0.740608 P\n0.531448 0.326992 0.741115 P\n0.866062 0.992590 0.749867 P\n0.326992 0.531448 0.741115 P\n0.660345 0.198447 0.740608 P\n0.992590 0.866062 0.749867 P\n0.468552 0.673008 0.258885 P\n0.801553 0.339655 0.259392 P\n0.133938 0.007410 0.250133 P\n0.305030 0.705337 0.281479 O\n0.638045 0.372048 0.281534 O\n0.976499 0.039544 0.249888 O\n0.294663 0.694970 0.718521 O\n0.627952 0.361955 0.718466 O\n0.960456 0.023501 0.750112 O\n0.361955 0.627952 0.718466 O\n0.694970 0.294663 0.718521 O\n0.023501 0.960456 0.750112 O\n0.372048 0.638045 0.281534 O\n0.705337 0.305030 0.281479 O\n0.039544 0.976499 0.249888 O\n0.617421 0.950694 0.246791 O\n0.950694 0.617421 0.246791 O\n0.284177 0.284177 0.249784 O\n0.049306 0.382579 0.753209 O\n0.382579 0.049306 0.753209 O\n0.715823 0.715823 0.750216 O\n0.931540 0.324452 0.016405 O\n0.264414 0.990423 0.016296 O\n0.607090 0.665774 0.021436 O\n0.675548 0.068460 0.983595 O\n0.009577 0.735586 0.983704 O\n0.334226 0.392910 0.978564 O\n0.940249 0.331646 0.479563 O\n0.273041 0.998585 0.479971 O\n0.607501 0.665826 0.479011 O\n0.668354 0.059751 0.520437 O\n0.001415 0.726959 0.520029 O\n0.334174 0.392499 0.520989 O\n0.735586 0.009577 0.983704 O\n0.068460 0.675548 0.983595 O\n0.392910 0.334226 0.978564 O\n0.990423 0.264414 0.016296 O\n0.324452 0.931540 0.016405 O\n0.665774 0.607090 0.021436 O\n0.726959 0.001415 0.520029 O\n0.059751 0.668354 0.520437 O\n0.392499 0.334174 0.520989 O\n0.998585 0.273041 0.479971 O\n0.331646 0.940249 0.479563 O\n0.665826 0.607501 0.479011 O\n0.403318 0.553627 0.251971 O\n0.735987 0.220296 0.253350 O\n0.066960 0.887001 0.251322 O\n0.446373 0.596682 0.748029 O\n0.779704 0.264013 0.746650 O\n0.112999 0.933040 0.748678 O\n0.264013 0.779704 0.746650 O\n0.596682 0.446373 0.748029 O\n0.933040 0.112999 0.748678 O\n0.220296 0.735987 0.253350 O\n0.553627 0.403318 0.251971 O\n0.887001 0.066960 0.251322 O\n0.530368 0.863606 0.933374 O\n0.863606 0.530368 0.933374 O\n0.179825 0.179825 0.952934 O\n0.136394 0.469632 0.066626 O\n0.469632 0.136394 0.066626 O\n0.820175 0.820175 0.047066 O\n0.514015 0.847221 0.544053 O\n0.847221 0.514015 0.544053 O\n0.179464 0.179464 0.547390 O\n0.152779 0.485985 0.455947 O\n0.485985 0.152779 0.455947 O\n0.820536 0.820536 0.452610 O\n0.400616 0.868664 0.076975 O\n0.734158 0.535509 0.076772 O\n0.069929 0.208386 0.075194 O\n0.131336 0.599384 0.923025 O\n0.464491 0.265842 0.923228 O\n0.791614 0.930071 0.924806 O\n0.406458 0.883113 0.425333 O\n0.739665 0.549877 0.425317 O\n0.070198 0.208462 0.424488 O\n0.116887 0.593542 0.574667 O\n0.450123 0.260335 0.574683 O\n0.791538 0.929802 0.575512 O\n0.265842 0.464491 0.923228 O\n0.599384 0.131336 0.923025 O\n0.930071 0.791614 0.924806 O\n0.535509 0.734158 0.076772 O\n0.868664 0.400616 0.076975 O\n0.208386 0.069929 0.075194 O\n0.260335 0.450123 0.574683 O\n0.593542 0.116887 0.574667 O\n0.929802 0.791538 0.575512 O\n0.549877 0.739665 0.425317 O\n0.883113 0.406458 0.425333 O\n0.208462 0.070198 0.424488 O\n",
"nsites": 144,
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"elements": [
"Sr",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sr",
"density": 3.355871661029591,
"density_atomic": 0.07660614135789101,
"volume": 1879.744853970078,
"volume_molar": 7.861172294092677,
"formula_full": "Sr14 Mg16 P24 O90",
"formula_reduced": "Sr7Mg8(P4O15)3",
"formula_anonymous": "A7B8C12D45",
"energy": -1075.8963483,
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"spacegroup": 12
},
{
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