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{
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"results": [
{
"id": "mp-766120",
"created_at": "2022-09-04T14:46:03.425893Z",
"structure_string": "Li18 V6 Si12 O42\n1.0\n13.083433 0.000000 0.000000\n0.000000 8.629374 0.000000\n0.000000 4.302941 7.495263\nLi V Si O\n18 6 12 42\ndirect\n0.896503 0.978470 0.688909 Li\n0.566649 0.978794 0.690062 Li\n0.218133 0.669073 0.665026 Li\n0.734302 0.668529 0.665929 Li\n0.462805 0.002270 0.997570 Li\n0.962805 0.997730 0.002430 Li\n0.565504 0.691901 0.331292 Li\n0.898588 0.691510 0.332704 Li\n0.897889 0.336324 0.973140 Li\n0.566075 0.333800 0.974083 Li\n0.066075 0.666200 0.025917 Li\n0.397889 0.663676 0.026860 Li\n0.398588 0.308490 0.667296 Li\n0.065504 0.308099 0.668708 Li\n0.234302 0.331471 0.334071 Li\n0.718133 0.330927 0.334974 Li\n0.066649 0.021206 0.309938 Li\n0.396503 0.021530 0.311091 Li\n0.231293 0.997799 0.997868 V\n0.731293 0.002201 0.002132 V\n0.509466 0.668473 0.665497 V\n0.955944 0.668605 0.665300 V\n0.455944 0.331395 0.334700 V\n0.009466 0.331527 0.334503 V\n0.345219 0.976633 0.672238 Si\n0.120139 0.979486 0.671152 Si\n0.120745 0.674376 0.348872 Si\n0.345196 0.675713 0.350751 Si\n0.120746 0.351371 0.974476 Si\n0.344707 0.352820 0.971681 Si\n0.844707 0.647180 0.028319 Si\n0.620746 0.648629 0.025524 Si\n0.845196 0.324287 0.649249 Si\n0.620745 0.325624 0.651128 Si\n0.620139 0.020514 0.328848 Si\n0.845219 0.023367 0.327762 Si\n0.841575 0.869049 0.928994 O\n0.626277 0.869688 0.925026 O\n0.232398 0.874500 0.693489 O\n0.036871 0.814864 0.754405 O\n0.429237 0.814194 0.756338 O\n0.605412 0.883212 0.537726 O\n0.859978 0.883209 0.535745 O\n0.842728 0.931663 0.201939 O\n0.859638 0.583791 0.879258 O\n0.625436 0.927069 0.205354 O\n0.605048 0.581913 0.879780 O\n0.036821 0.757892 0.429708 O\n0.429532 0.759421 0.429573 O\n0.232630 0.696397 0.432293 O\n0.342563 0.798605 0.133264 O\n0.232561 0.436655 0.869639 O\n0.126048 0.795227 0.132249 O\n0.429506 0.431796 0.810232 O\n0.036655 0.432977 0.811235 O\n0.605108 0.540099 0.578877 O\n0.860515 0.538943 0.579879 O\n0.360515 0.461057 0.420121 O\n0.105108 0.459901 0.421123 O\n0.536655 0.567023 0.188765 O\n0.929506 0.568204 0.189768 O\n0.626048 0.204773 0.867751 O\n0.732561 0.563345 0.130361 O\n0.842563 0.201395 0.866736 O\n0.732630 0.303603 0.567707 O\n0.929532 0.240579 0.570427 O\n0.536821 0.242108 0.570292 O\n0.105048 0.418087 0.120220 O\n0.125436 0.072931 0.794646 O\n0.359638 0.416209 0.120742 O\n0.342728 0.068337 0.798061 O\n0.359978 0.116791 0.464255 O\n0.105412 0.116788 0.462274 O\n0.929237 0.185806 0.243662 O\n0.536871 0.185136 0.245595 O\n0.732398 0.125500 0.306511 O\n0.126277 0.130312 0.074974 O\n0.341575 0.130951 0.071006 O\n",
"nsites": 78,
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"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.8248758902850253,
"density_atomic": 0.09217363603963862,
"volume": 846.2289582072758,
"volume_molar": 6.533474232708169,
"formula_full": "Li18 V6 Si12 O42",
"formula_reduced": "Li3VSi2O7",
"formula_anonymous": "AB2C3D7",
"energy": -583.49056849,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.733000Z",
"spacegroup": 4
},
{
"id": "mp-1220130",
"created_at": "2022-09-04T14:42:20.556887Z",
"structure_string": "Pr7 Y1 Fe56 B4\n1.0\n6.213660 -6.218746 0.000000\n6.213660 6.218746 0.000000\n0.000000 0.000000 12.133970\nPr Y Fe B\n7 1 56 4\ndirect\n0.643235 0.640375 0.500000 Pr\n0.359625 0.356765 0.500000 Pr\n0.142086 0.857914 0.000000 Pr\n0.857529 0.142471 0.000000 Pr\n0.231544 0.768456 0.500000 Pr\n0.268544 0.268343 0.000000 Pr\n0.731657 0.731456 0.000000 Pr\n0.770701 0.229299 0.500000 Y\n0.817397 0.182603 0.743854 Fe\n0.182008 0.817992 0.745687 Fe\n0.317866 0.317744 0.245873 Fe\n0.682256 0.682134 0.245873 Fe\n0.182008 0.817992 0.254313 Fe\n0.817397 0.182603 0.256146 Fe\n0.682256 0.682134 0.754127 Fe\n0.317866 0.317744 0.754127 Fe\n0.538005 0.139858 0.675132 Fe\n0.463806 0.861464 0.676041 Fe\n0.036057 0.360869 0.176798 Fe\n0.963395 0.638823 0.176807 Fe\n0.463806 0.861464 0.323959 Fe\n0.538005 0.139858 0.324868 Fe\n0.963395 0.638823 0.823193 Fe\n0.036057 0.360869 0.823202 Fe\n0.138536 0.536194 0.676041 Fe\n0.860142 0.461995 0.675132 Fe\n0.361177 0.036605 0.176807 Fe\n0.639131 0.963943 0.176798 Fe\n0.860142 0.461995 0.324868 Fe\n0.138536 0.536194 0.323959 Fe\n0.639131 0.963943 0.823202 Fe\n0.361177 0.036605 0.823193 Fe\n0.598821 0.401179 0.703686 Fe\n0.402096 0.597904 0.704923 Fe\n0.097634 0.098173 0.204818 Fe\n0.901827 0.902366 0.204818 Fe\n0.402096 0.597904 0.295077 Fe\n0.598821 0.401179 0.296314 Fe\n0.901827 0.902366 0.795182 Fe\n0.097634 0.098173 0.795182 Fe\n0.725456 0.934323 0.626929 Fe\n0.274641 0.067884 0.628014 Fe\n0.225255 0.567628 0.127883 Fe\n0.774569 0.432311 0.128303 Fe\n0.274641 0.067884 0.371986 Fe\n0.725456 0.934323 0.373071 Fe\n0.774569 0.432311 0.871697 Fe\n0.225255 0.567628 0.872117 Fe\n0.932116 0.725359 0.628014 Fe\n0.065677 0.274544 0.626929 Fe\n0.567689 0.225431 0.128303 Fe\n0.432372 0.774745 0.127883 Fe\n0.065677 0.274544 0.373071 Fe\n0.932116 0.725359 0.371986 Fe\n0.432372 0.774745 0.872117 Fe\n0.567689 0.225431 0.871697 Fe\n0.998985 0.001015 0.614448 Fe\n0.500157 0.499843 0.114744 Fe\n0.998985 0.001015 0.385552 Fe\n0.500157 0.499843 0.885256 Fe\n0.501493 0.001583 0.500000 Fe\n0.000218 0.499959 0.000000 Fe\n0.998417 0.498507 0.500000 Fe\n0.500041 0.999782 0.000000 Fe\n0.876405 0.876063 0.500000 B\n0.123937 0.123595 0.500000 B\n0.376878 0.623122 0.000000 B\n0.623549 0.376451 0.000000 B\n",
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"elements": [
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"Y",
"Fe",
"B"
],
"chemical_system": "B-Fe-Pr-Y",
"density": 7.51844118443839,
"density_atomic": 0.072514640068164,
"volume": 937.7416744547003,
"volume_molar": 8.304724058947503,
"formula_full": "Pr7 Y1 Fe56 B4",
"formula_reduced": "Pr7Y(Fe14B)4",
"formula_anonymous": "AB4C7D56",
"energy": -544.43845136,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:44.254000Z",
"spacegroup": 38
},
{
"id": "mp-757435",
"created_at": "2022-09-04T14:43:55.364590Z",
"structure_string": "Ti11 Fe17 O42\n1.0\n7.539109 0.000000 0.000000\n-2.859866 8.714099 0.000000\n-0.618662 -2.218967 11.399707\nTi Fe O\n11 17 42\ndirect\n0.487192 0.264550 0.184713 Ti\n0.776116 0.836458 0.042147 Ti\n0.654505 0.023506 0.246236 Ti\n0.942141 0.596576 0.106378 Ti\n0.916353 0.117920 0.468545 Ti\n0.370250 0.453871 0.385571 Ti\n0.794931 0.310533 0.670972 Ti\n0.086538 0.875359 0.525270 Ti\n0.344172 0.980998 0.758268 Ti\n0.059324 0.406765 0.902354 Ti\n0.515958 0.734870 0.815782 Ti\n0.165663 0.027491 0.242284 Fe\n0.450686 0.600346 0.101934 Fe\n0.987267 0.259848 0.183296 Fe\n0.270000 0.836103 0.045121 Fe\n0.204146 0.692071 0.326645 Fe\n0.690078 0.684754 0.328996 Fe\n0.874600 0.453917 0.386157 Fe\n0.408265 0.114772 0.472250 Fe\n0.628467 0.548067 0.609291 Fe\n0.126566 0.549369 0.613539 Fe\n0.304318 0.311268 0.670429 Fe\n0.583098 0.878707 0.527440 Fe\n0.557114 0.403360 0.902936 Fe\n0.738513 0.172733 0.958096 Fe\n0.010948 0.736068 0.811775 Fe\n0.845558 0.977625 0.756769 Fe\n0.228301 0.166196 0.958289 Fe\n0.027558 0.244670 0.007458 O\n0.277360 0.053542 0.081525 O\n0.435729 0.362959 0.063950 O\n0.894375 0.000748 0.164499 O\n0.186083 0.582821 0.020153 O\n0.682032 0.186516 0.134353 O\n0.460253 0.095413 0.298006 O\n0.743932 0.669153 0.151914 O\n0.247615 0.275771 0.263464 O\n0.523143 0.851515 0.119534 O\n0.987622 0.494915 0.223476 O\n0.865023 0.214740 0.347301 O\n0.150708 0.793570 0.197199 O\n0.610373 0.430440 0.306483 O\n0.402671 0.611825 0.272995 O\n0.111432 0.045743 0.418529 O\n0.175120 0.522568 0.435929 O\n0.955919 0.712344 0.406099 O\n0.677691 0.140181 0.550668 O\n0.415346 0.348731 0.511047 O\n0.706824 0.923891 0.366042 O\n0.298211 0.088773 0.637271 O\n0.576872 0.647803 0.484804 O\n0.049261 0.285296 0.595085 O\n0.326548 0.870732 0.456015 O\n0.833055 0.467978 0.562546 O\n0.887744 0.953840 0.584982 O\n0.596923 0.377847 0.724158 O\n0.382505 0.562144 0.695588 O\n0.845826 0.199997 0.792449 O\n0.137396 0.785136 0.651256 O\n0.001729 0.498919 0.778367 O\n0.471155 0.144744 0.879341 O\n0.752334 0.729935 0.739772 O\n0.255003 0.332961 0.839788 O\n0.538030 0.904064 0.707439 O\n0.317474 0.814089 0.872344 O\n0.093964 0.993286 0.828708 O\n0.820890 0.425373 0.978490 O\n0.560405 0.640216 0.939534 O\n0.725078 0.936639 0.918655 O\n0.971715 0.764071 0.991299 O\n",
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],
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"formula_full": "Ti11 Fe17 O42",
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"energy": -611.65703991,
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"spacegroup": 1
},
{
"id": "mp-759318",
"created_at": "2022-09-04T14:41:25.062602Z",
"structure_string": "V4 H40 C8 O40\n1.0\n8.929013 0.000000 0.000000\n0.000000 7.229427 0.000000\n0.000000 1.268702 14.073781\nV H C O\n4 40 8 40\ndirect\n0.231710 0.688178 0.988886 V\n0.268290 0.688178 0.488886 V\n0.731710 0.311822 0.511114 V\n0.768290 0.311822 0.011114 V\n0.748605 0.961863 0.954153 H\n0.047296 0.010294 0.743536 H\n0.692999 0.949796 0.565010 H\n0.751395 0.961863 0.454153 H\n0.898958 0.895566 0.754515 H\n0.452704 0.010294 0.243536 H\n0.402164 0.835159 0.848373 H\n0.807001 0.949796 0.065010 H\n0.601042 0.895566 0.254515 H\n0.027385 0.799592 0.620391 H\n0.532564 0.763567 0.640655 H\n0.097836 0.835159 0.348373 H\n0.693645 0.735206 0.685836 H\n0.472615 0.799592 0.120391 H\n0.957231 0.687966 0.538831 H\n0.363671 0.619981 0.828703 H\n0.967436 0.763567 0.140655 H\n0.806355 0.735206 0.185836 H\n0.542769 0.687966 0.038831 H\n0.136329 0.619981 0.328703 H\n0.863671 0.380019 0.671297 H\n0.457231 0.312034 0.961169 H\n0.193645 0.264794 0.814164 H\n0.032564 0.236433 0.859345 H\n0.636329 0.380019 0.171297 H\n0.042769 0.312034 0.461169 H\n0.527385 0.200408 0.879609 H\n0.306355 0.264794 0.314164 H\n0.902164 0.164841 0.651627 H\n0.467436 0.236433 0.359345 H\n0.972615 0.200408 0.379609 H\n0.398958 0.104434 0.745485 H\n0.192999 0.050204 0.934990 H\n0.597836 0.164841 0.151627 H\n0.547296 0.989706 0.756464 H\n0.101042 0.104434 0.245485 H\n0.248605 0.038137 0.545847 H\n0.307001 0.050204 0.434990 H\n0.952704 0.989706 0.256464 H\n0.251395 0.038137 0.045847 H\n0.755587 0.653510 0.895951 C\n0.744413 0.653510 0.395951 C\n0.811232 0.506226 0.830863 C\n0.311232 0.493774 0.669137 C\n0.688768 0.506226 0.330863 C\n0.188768 0.493774 0.169137 C\n0.255587 0.346490 0.604049 C\n0.244413 0.346490 0.104049 C\n0.242388 0.969173 0.987860 O\n0.966759 0.957340 0.706414 O\n0.257612 0.969173 0.487860 O\n0.533241 0.957340 0.206414 O\n0.749717 0.819661 0.864667 O\n0.623405 0.830832 0.657775 O\n0.750283 0.819661 0.364667 O\n0.381214 0.707230 0.878914 O\n0.075607 0.675747 0.929630 O\n0.876595 0.830832 0.157775 O\n0.051165 0.714831 0.571078 O\n0.118786 0.707230 0.378914 O\n0.343814 0.653833 0.626043 O\n0.719216 0.587699 0.981045 O\n0.424393 0.675747 0.429630 O\n0.448835 0.714831 0.071078 O\n0.821780 0.547499 0.743318 O\n0.156186 0.653833 0.126043 O\n0.780784 0.587699 0.481045 O\n0.321780 0.452501 0.756682 O\n0.678220 0.547499 0.243318 O\n0.219216 0.412301 0.518955 O\n0.843814 0.346167 0.873957 O\n0.178220 0.452501 0.256682 O\n0.551165 0.285169 0.928922 O\n0.575607 0.324253 0.570370 O\n0.280784 0.412301 0.018955 O\n0.656186 0.346167 0.373957 O\n0.881214 0.292770 0.621086 O\n0.948835 0.285169 0.428922 O\n0.123405 0.169168 0.842225 O\n0.924393 0.324253 0.070370 O\n0.618786 0.292770 0.121086 O\n0.249717 0.180339 0.635333 O\n0.376595 0.169168 0.342225 O\n0.250283 0.180339 0.135333 O\n0.466759 0.042660 0.793586 O\n0.742388 0.030827 0.512140 O\n0.033241 0.042660 0.293586 O\n0.757612 0.030827 0.012140 O\n",
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},
{
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{
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{
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{
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}
]
}