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{
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{
"id": "mp-1100589",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.905348 0.000000 0.000000\n0.000000 8.442618 0.000000\n0.000000 0.043191 11.854895\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.745729 0.867142 Li\n0.500000 0.253230 0.620899 Li\n0.500000 0.748475 0.382528 Li\n0.000000 0.499783 0.998334 Li\n0.000000 0.998397 0.744137 Li\n0.000000 0.491059 0.497735 Li\n0.500000 0.254903 0.126475 Li\n0.000000 0.013051 0.259815 Li\n0.500000 0.248702 0.377827 Li\n0.000000 0.000225 0.997510 Mn\n0.500000 0.743990 0.128822 Mn\n0.000000 0.503640 0.747673 Co\n0.000000 0.022592 0.497419 Co\n0.000000 0.471456 0.257735 Co\n0.500000 0.260061 0.874586 Co\n0.500000 0.751464 0.619275 Co\n0.500000 0.000235 0.885411 O\n0.500000 0.504621 0.635016 O\n0.500000 0.997006 0.387705 O\n0.000000 0.741313 0.017312 O\n0.000000 0.255818 0.760555 O\n0.000000 0.748775 0.506464 O\n0.500000 0.519769 0.136985 O\n0.000000 0.260701 0.243920 O\n0.500000 0.500208 0.866652 O\n0.500000 0.990266 0.614272 O\n0.500000 0.500893 0.364391 O\n0.000000 0.254391 0.991194 O\n0.000000 0.746283 0.742457 O\n0.000000 0.235478 0.502513 O\n0.500000 0.981907 0.111742 O\n0.000000 0.755580 0.235499 O\n",
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},
{
"id": "mp-1212416",
"created_at": "2022-09-04T14:45:53.219482Z",
"structure_string": "Hf4 Cr4 P4\n1.0\n3.608998 0.000000 0.000000\n0.000000 6.350566 0.000000\n0.000000 0.000000 7.547014\nHf Cr P\n4 4 4\ndirect\n0.250000 0.537453 0.171418 Hf\n0.750000 0.462547 0.828582 Hf\n0.750000 0.962547 0.671418 Hf\n0.250000 0.037453 0.328582 Hf\n0.250000 0.627606 0.551738 Cr\n0.750000 0.372394 0.448262 Cr\n0.750000 0.872394 0.051738 Cr\n0.250000 0.127606 0.948262 Cr\n0.250000 0.762577 0.860643 P\n0.750000 0.237423 0.139357 P\n0.750000 0.737423 0.360643 P\n0.250000 0.262577 0.639357 P\n",
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"elements": [
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"volume": 172.9713722746947,
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"formula_full": "Hf4 Cr4 P4",
"formula_reduced": "HfCrP",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "mp-1022083",
"created_at": "2022-09-04T14:45:53.221564Z",
"structure_string": "Mg12 Cu2 Sb2\n1.0\n4.886357 0.000000 0.000000\n0.000000 6.493928 0.000000\n0.000000 0.000000 10.619080\nMg Cu Sb\n12 2 2\ndirect\n0.500000 0.748162 0.086371 Mg\n0.500000 0.251838 0.086371 Mg\n0.000000 0.770051 0.912769 Mg\n0.000000 0.229949 0.912769 Mg\n0.000000 0.500000 0.170113 Mg\n0.000000 0.500000 0.661883 Mg\n0.500000 0.248162 0.586371 Mg\n0.500000 0.751838 0.586371 Mg\n0.000000 0.270051 0.412769 Mg\n0.000000 0.729949 0.412769 Mg\n0.000000 0.000000 0.670113 Mg\n0.000000 0.000000 0.161883 Mg\n0.500000 0.500000 0.333493 Cu\n0.500000 0.000000 0.833493 Cu\n0.500000 0.500000 0.836236 Sb\n0.500000 0.000000 0.336236 Sb\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.263667720691858,
"density_atomic": 0.04748324897242663,
"volume": 336.9609356194465,
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"formula_full": "Mg12 Cu2 Sb2",
"formula_reduced": "Mg6CuSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "mp-13570",
"created_at": "2022-09-04T14:45:53.222680Z",
"structure_string": "Mg2 Sc4 Ga4\n1.0\n7.150287 0.000000 0.000000\n0.000000 7.150287 0.000000\n0.000000 0.000000 3.954210\nMg Sc Ga\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.171664 0.328336 0.500000 Sc\n0.328336 0.828336 0.500000 Sc\n0.828336 0.671664 0.500000 Sc\n0.671664 0.171664 0.500000 Sc\n0.626262 0.873738 0.000000 Ga\n0.126262 0.626262 0.000000 Ga\n0.873738 0.373738 0.000000 Ga\n0.373738 0.126262 0.000000 Ga\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ga-Mg-Sc",
"density": 4.167055053286451,
"density_atomic": 0.04946446566058979,
"volume": 202.16532952396528,
"volume_molar": 12.174680711851027,
"formula_full": "Mg2 Sc4 Ga4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "mp-849230",
"created_at": "2022-09-04T14:45:53.228523Z",
"structure_string": "Ba4 P16 O44\n1.0\n9.189107 0.000000 0.000000\n0.000000 11.040718 0.000000\n0.000000 8.425086 11.842853\nBa P O\n4 16 44\ndirect\n0.012447 0.261348 0.784904 Ba\n0.512447 0.738652 0.715096 Ba\n0.487553 0.261348 0.284904 Ba\n0.987553 0.738652 0.215096 Ba\n0.430624 0.313966 0.841432 P\n0.390348 0.848237 0.228419 P\n0.930624 0.686034 0.658568 P\n0.012143 0.852378 0.419816 P\n0.350494 0.828706 0.440636 P\n0.850494 0.171294 0.059364 P\n0.512143 0.147622 0.080184 P\n0.890348 0.151763 0.271581 P\n0.109652 0.848237 0.728419 P\n0.487857 0.852378 0.919816 P\n0.149506 0.828706 0.940636 P\n0.649506 0.171294 0.559364 P\n0.987857 0.147622 0.580184 P\n0.069376 0.313966 0.341432 P\n0.609652 0.151763 0.771581 P\n0.569376 0.686034 0.158568 P\n0.555117 0.284362 0.774531 O\n0.456201 0.162125 0.971329 O\n0.284951 0.300539 0.804506 O\n0.908970 0.286572 0.945792 O\n0.980471 0.555062 0.663084 O\n0.245688 0.905618 0.176205 O\n0.924047 0.778515 0.381111 O\n0.399553 0.776887 0.358703 O\n0.877624 0.010051 0.117342 O\n0.520240 0.968901 0.170144 O\n0.174126 0.799949 0.442848 O\n0.480471 0.444938 0.836916 O\n0.408970 0.713428 0.554208 O\n0.784951 0.699461 0.695494 O\n0.956201 0.837875 0.528671 O\n0.055117 0.715638 0.725469 O\n0.674126 0.200051 0.057152 O\n0.020240 0.031099 0.329856 O\n0.377624 0.989949 0.382658 O\n0.899553 0.223113 0.141297 O\n0.424047 0.221485 0.118889 O\n0.745688 0.094382 0.323795 O\n0.254312 0.905618 0.676205 O\n0.575953 0.778515 0.881111 O\n0.100447 0.776887 0.858703 O\n0.622376 0.010051 0.617342 O\n0.979760 0.968901 0.670144 O\n0.325874 0.799949 0.942848 O\n0.944883 0.284362 0.274531 O\n0.043799 0.162125 0.471329 O\n0.215049 0.300539 0.304506 O\n0.591030 0.286572 0.445792 O\n0.519529 0.555062 0.163084 O\n0.825874 0.200051 0.557152 O\n0.479760 0.031099 0.829856 O\n0.122376 0.989949 0.882658 O\n0.600447 0.223113 0.641297 O\n0.075953 0.221485 0.618889 O\n0.754312 0.094382 0.823795 O\n0.019529 0.444938 0.336916 O\n0.091030 0.713428 0.054208 O\n0.715049 0.699461 0.195494 O\n0.543799 0.837875 0.028671 O\n0.444883 0.715638 0.225469 O\n",
"nsites": 64,
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"elements": [
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],
"chemical_system": "Ba-O-P",
"density": 2.417005410573183,
"density_atomic": 0.053266358713595634,
"volume": 1201.5088236858346,
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"formula_full": "Ba4 P16 O44",
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"spacegroup": 14
},
{
"id": "mp-26269",
"created_at": "2022-09-04T14:45:53.239033Z",
"structure_string": "Li2 Fe2 P8 O24\n1.0\n4.216509 8.903882 0.000000\n-4.216509 8.903882 0.000000\n0.000000 9.792173 5.920090\nLi Fe P O\n2 2 8 24\ndirect\n0.717229 0.282771 0.750000 Li\n0.282771 0.717229 0.250000 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.798112 0.768084 0.961663 P\n0.231916 0.201888 0.538337 P\n0.498725 0.013256 0.683527 P\n0.768084 0.798112 0.461663 P\n0.201888 0.231916 0.038337 P\n0.501275 0.986744 0.316473 P\n0.986744 0.501275 0.816473 P\n0.013256 0.498725 0.183527 P\n0.985548 0.693824 0.981042 O\n0.459571 0.805266 0.385245 O\n0.540429 0.194734 0.614755 O\n0.613199 0.622655 0.694594 O\n0.693824 0.985548 0.481042 O\n0.001310 0.745099 0.346997 O\n0.797431 0.468008 0.403701 O\n0.622655 0.613199 0.194594 O\n0.712678 0.924477 0.293591 O\n0.254901 0.998690 0.153003 O\n0.075523 0.287322 0.206409 O\n0.014452 0.306176 0.018958 O\n0.194734 0.540429 0.114755 O\n0.531992 0.202569 0.096299 O\n0.306176 0.014452 0.518958 O\n0.805266 0.459571 0.885245 O\n0.468008 0.797431 0.903701 O\n0.924477 0.712678 0.793591 O\n0.745099 0.001310 0.846997 O\n0.287322 0.075523 0.706409 O\n0.377345 0.386801 0.805406 O\n0.202569 0.531992 0.596299 O\n0.998690 0.254901 0.653003 O\n0.386801 0.377345 0.305406 O\n",
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"formula_full": "Li2 Fe2 P8 O24",
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"spacegroup": 15
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{
"id": "mp-1227267",
"created_at": "2022-09-04T14:45:53.244612Z",
"structure_string": "Ca2 Tm4 Ge8 O24\n1.0\n7.097602 -7.119178 0.000000\n7.097602 7.119178 0.000000\n0.000000 0.000000 5.074967\nCa Tm Ge O\n2 4 8 24\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.750000 0.750000 0.500000 Tm\n0.250000 0.250000 0.500000 Tm\n0.749647 0.019431 0.997027 Ge\n0.250353 0.980569 0.002973 Ge\n0.249647 0.519431 0.002973 Ge\n0.750353 0.480569 0.997027 Ge\n0.019431 0.749647 0.002973 Ge\n0.980569 0.250353 0.997027 Ge\n0.519431 0.249647 0.997027 Ge\n0.480569 0.750353 0.002973 Ge\n0.571529 0.677178 0.253495 O\n0.058690 0.328997 0.262573 O\n0.441310 0.171003 0.262573 O\n0.928471 0.822822 0.253495 O\n0.428471 0.322822 0.746505 O\n0.941310 0.671003 0.737427 O\n0.558690 0.828997 0.737427 O\n0.071529 0.177178 0.746505 O\n0.677178 0.571529 0.746505 O\n0.328997 0.058690 0.737427 O\n0.171003 0.441310 0.737427 O\n0.822822 0.928471 0.746505 O\n0.322822 0.428471 0.253495 O\n0.671003 0.941310 0.262573 O\n0.828997 0.558690 0.262573 O\n0.177178 0.071529 0.253495 O\n0.870291 0.129709 0.151265 O\n0.377444 0.877444 0.168759 O\n0.122556 0.622556 0.168759 O\n0.629709 0.370291 0.151265 O\n0.129709 0.870291 0.848735 O\n0.622556 0.122556 0.831241 O\n0.877444 0.377444 0.831241 O\n0.370291 0.629709 0.848735 O\n",
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{
"id": "mp-771290",
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"structure_string": "Li4 Mn8 O16\n1.0\n2.933020 -5.080139 0.000000\n2.933020 5.080139 0.000000\n0.000000 0.000000 9.763920\nLi Mn O\n4 8 16\ndirect\n0.333333 0.666667 0.886736 Li\n0.000000 0.000000 0.997357 Li\n0.000000 0.000000 0.497357 Li\n0.666667 0.333333 0.386736 Li\n0.168861 0.831139 0.215308 Mn\n0.333333 0.666667 0.493150 Mn\n0.168861 0.337722 0.215308 Mn\n0.662278 0.831139 0.215308 Mn\n0.337722 0.168861 0.715308 Mn\n0.666667 0.333333 0.993150 Mn\n0.831139 0.662278 0.715308 Mn\n0.831139 0.168861 0.715308 Mn\n0.158076 0.841924 0.606834 O\n0.033615 0.516807 0.329681 O\n0.333333 0.666667 0.109439 O\n0.000000 0.000000 0.311758 O\n0.000000 0.000000 0.811758 O\n0.158076 0.316152 0.606834 O\n0.483193 0.966385 0.329681 O\n0.483193 0.516807 0.329681 O\n0.316152 0.158076 0.106834 O\n0.683848 0.841924 0.606834 O\n0.516807 0.483193 0.829681 O\n0.516807 0.033615 0.829681 O\n0.666667 0.333333 0.609439 O\n0.841924 0.683848 0.106834 O\n0.966385 0.483193 0.829681 O\n0.841924 0.158076 0.106834 O\n",
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{
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