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"results": [
{
"id": "mp-1331007",
"created_at": "2022-09-04T14:46:58.650032Z",
"structure_string": "Mg4 Sn8 P8 O32\n1.0\n2.660753 9.252595 0.000000\n-2.660753 9.252595 0.000000\n0.000000 9.237992 16.126704\nMg Sn P O\n4 8 8 32\ndirect\n0.769849 0.721067 0.904795 Mg\n0.278933 0.230151 0.095205 Mg\n0.723887 0.764632 0.406045 Mg\n0.235368 0.276113 0.593955 Mg\n0.606498 0.682230 0.762241 Sn\n0.317770 0.393502 0.237759 Sn\n0.400837 0.312305 0.738162 Sn\n0.006354 0.995686 0.750518 Sn\n0.687695 0.599163 0.261838 Sn\n0.599909 0.400091 0.500000 Sn\n0.402861 0.597139 0.000000 Sn\n0.004314 0.993646 0.249482 Sn\n0.322296 0.450728 0.888034 P\n0.864730 0.817701 0.128011 P\n0.679543 0.543204 0.612651 P\n0.820854 0.861824 0.628048 P\n0.456796 0.320457 0.387349 P\n0.549272 0.677704 0.111966 P\n0.138176 0.179146 0.371952 P\n0.182299 0.135270 0.871989 P\n0.941383 0.345287 0.643009 O\n0.439607 0.030115 0.849414 O\n0.348043 0.938306 0.143327 O\n0.925844 0.805259 0.197107 O\n0.443913 0.750970 0.676392 O\n0.012684 0.812162 0.042212 O\n0.194741 0.074156 0.802893 O\n0.066269 0.563677 0.627936 O\n0.073303 0.194683 0.303209 O\n0.969885 0.560393 0.150586 O\n0.663122 0.387686 0.623575 O\n0.314631 0.329042 0.475239 O\n0.563217 0.964634 0.651065 O\n0.565930 0.062993 0.128826 O\n0.061694 0.651957 0.856673 O\n0.330240 0.614277 0.876637 O\n0.332591 0.309266 0.975472 O\n0.805317 0.926697 0.696791 O\n0.385723 0.669760 0.123363 O\n0.690734 0.667409 0.024528 O\n0.436323 0.933731 0.372064 O\n0.754754 0.440396 0.174505 O\n0.937007 0.434070 0.871174 O\n0.812487 0.011976 0.542366 O\n0.035366 0.436783 0.348935 O\n0.654713 0.058617 0.356991 O\n0.670958 0.685369 0.524761 O\n0.249030 0.556087 0.323608 O\n0.559604 0.245246 0.825495 O\n0.187838 0.987316 0.957788 O\n0.988024 0.187513 0.457634 O\n0.612314 0.336878 0.376425 O\n",
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"elements": [
"Mg",
"Sn",
"P",
"O"
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"volume": 794.0424555137618,
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"formula_full": "Mg4 Sn8 P8 O32",
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"updated_at": "2021-11-28T01:37:46.252000Z",
"spacegroup": 15
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{
"id": "mp-1211742",
"created_at": "2022-09-04T14:47:57.372302Z",
"structure_string": "K4 Tb4 H4 S8 O32\n1.0\n8.823768 0.000000 0.000000\n0.000000 10.128003 0.000000\n0.000000 5.050409 8.885321\nK Tb H S O\n4 4 4 8 32\ndirect\n0.316528 0.285730 0.690691 K\n0.683472 0.714270 0.309309 K\n0.816528 0.714270 0.809309 K\n0.183472 0.285730 0.190691 K\n0.375376 0.753955 0.963341 Tb\n0.624624 0.246045 0.036659 Tb\n0.875376 0.246045 0.536659 Tb\n0.124624 0.753955 0.463341 Tb\n0.074263 0.833975 0.948018 H\n0.925737 0.166025 0.051982 H\n0.574263 0.166025 0.551982 H\n0.425737 0.833975 0.448018 H\n0.132971 0.558690 0.314060 S\n0.867029 0.441310 0.685940 S\n0.632971 0.441310 0.185940 S\n0.367029 0.558690 0.814060 S\n0.199495 0.997796 0.604186 S\n0.800505 0.002204 0.395814 S\n0.699495 0.002204 0.895814 S\n0.300505 0.997796 0.104186 S\n0.781334 0.921828 0.038336 O\n0.218666 0.078172 0.961664 O\n0.281334 0.078172 0.461664 O\n0.718666 0.921828 0.538336 O\n0.205299 0.592600 0.169988 O\n0.794701 0.407400 0.830012 O\n0.705299 0.407400 0.330012 O\n0.294701 0.592600 0.669988 O\n0.305143 0.945944 0.735251 O\n0.694857 0.054056 0.264749 O\n0.805143 0.054056 0.764749 O\n0.194857 0.945944 0.235251 O\n0.379607 0.860292 0.116996 O\n0.620393 0.139708 0.883004 O\n0.879607 0.139708 0.383004 O\n0.120393 0.860292 0.616996 O\n0.246404 0.562100 0.422291 O\n0.753596 0.437900 0.577709 O\n0.746404 0.437900 0.077709 O\n0.253596 0.562100 0.922291 O\n0.014804 0.671710 0.295599 O\n0.985196 0.328290 0.704401 O\n0.514804 0.328290 0.204401 O\n0.485196 0.671710 0.795599 O\n0.065440 0.403489 0.379408 O\n0.934560 0.596511 0.620592 O\n0.565440 0.596511 0.120592 O\n0.434560 0.403489 0.879408 O\n0.586366 0.902877 0.878078 O\n0.413634 0.097123 0.121922 O\n0.086366 0.097123 0.621922 O\n0.913634 0.902877 0.378078 O\n",
"nsites": 52,
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"elements": [
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"Tb",
"H",
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],
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"density_atomic": 0.06548658136641237,
"volume": 794.0558037233327,
"volume_molar": 9.19599196407085,
"formula_full": "K4 Tb4 H4 S8 O32",
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"energy": -340.94019877,
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"updated_at": "2021-11-28T01:38:15.218000Z",
"spacegroup": 14
},
{
"id": "mp-31077",
"created_at": "2022-09-04T14:41:20.285636Z",
"structure_string": "Tl4 Te2 I12\n1.0\n8.618074 0.000000 0.000000\n0.000000 8.025118 0.000000\n0.000000 7.920825 11.481303\nTl Te I\n4 2 12\ndirect\n0.904330 0.281450 0.246708 Tl\n0.404330 0.718550 0.253292 Tl\n0.095670 0.718550 0.753292 Tl\n0.595670 0.281450 0.746708 Tl\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.206365 0.228803 0.459498 I\n0.706365 0.771197 0.040502 I\n0.793635 0.771197 0.540502 I\n0.293635 0.228803 0.959498 I\n0.990426 0.160233 0.748249 I\n0.490426 0.839767 0.751751 I\n0.009574 0.839767 0.251751 I\n0.509574 0.160233 0.248249 I\n0.689158 0.350286 0.453108 I\n0.189158 0.649714 0.046892 I\n0.310842 0.649714 0.546892 I\n0.810842 0.350286 0.953108 I\n",
"nsites": 18,
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"elements": [
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"I"
],
"chemical_system": "I-Te-Tl",
"density": 5.427899985811084,
"density_atomic": 0.022668338063655178,
"volume": 794.0590946479634,
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"formula_full": "Tl4 Te2 I12",
"formula_reduced": "Tl2TeI6",
"formula_anonymous": "AB2C6",
"energy": -45.60970655,
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"updated_at": "2021-11-28T01:35:16.664000Z",
"spacegroup": 14
},
{
"id": "mp-1212763",
"created_at": "2022-09-04T14:45:54.140844Z",
"structure_string": "Fe2 Si4 C8 Cl12 O8\n1.0\n10.107471 0.000000 0.000000\n0.000000 8.524595 0.000000\n0.000000 7.531288 9.215918\nFe Si C Cl O\n2 4 8 12 8\ndirect\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.840272 0.290536 0.007785 Si\n0.159728 0.709464 0.992215 Si\n0.340272 0.709464 0.492215 Si\n0.659728 0.290536 0.507785 Si\n0.522509 0.683775 0.303280 C\n0.477491 0.316225 0.696720 C\n0.022509 0.316225 0.196720 C\n0.977491 0.683775 0.803280 C\n0.873992 0.627458 0.025894 C\n0.126008 0.372542 0.974106 C\n0.373992 0.372542 0.474106 C\n0.626008 0.627458 0.525894 C\n0.632840 0.260148 0.349391 Cl\n0.367160 0.739852 0.650609 Cl\n0.132840 0.739852 0.150609 Cl\n0.867160 0.260148 0.849391 Cl\n0.839469 0.994494 0.200373 Cl\n0.160531 0.005506 0.799627 Cl\n0.339469 0.005506 0.299627 Cl\n0.660531 0.994494 0.700373 Cl\n0.354094 0.612703 0.021710 Cl\n0.645906 0.387297 0.978290 Cl\n0.854094 0.387297 0.478290 Cl\n0.145906 0.612703 0.521710 Cl\n0.795166 0.708203 0.042826 O\n0.204834 0.291797 0.957174 O\n0.295166 0.291797 0.457174 O\n0.704834 0.708203 0.542826 O\n0.536156 0.798185 0.179513 O\n0.463844 0.201815 0.820487 O\n0.036156 0.201815 0.320487 O\n0.963844 0.798185 0.679513 O\n",
"nsites": 34,
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"elements": [
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"Si",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-Fe-O-Si",
"density": 1.8267596410033802,
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"volume": 794.0628183491085,
"volume_molar": 14.064582542296007,
"formula_full": "Fe2 Si4 C8 Cl12 O8",
"formula_reduced": "FeSi2C4(Cl3O2)2",
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"energy": -211.74164586,
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"spacegroup": 14
},
{
"id": "mp-1214508",
"created_at": "2022-09-04T14:47:57.064981Z",
"structure_string": "Ba10 Ho4 Zr2 Al4 O26\n1.0\n3.016586 -5.224881 0.000000\n3.016586 5.224881 0.000000\n0.000000 0.000000 25.190689\nBa Ho Zr Al O\n10 4 2 4 26\ndirect\n0.333333 0.666667 0.542479 Ba\n0.666667 0.333333 0.457521 Ba\n0.666667 0.333333 0.042479 Ba\n0.333333 0.666667 0.957521 Ba\n0.000000 0.000000 0.138320 Ba\n0.000000 0.000000 0.861680 Ba\n0.000000 0.000000 0.638320 Ba\n0.000000 0.000000 0.361680 Ba\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.333333 0.666667 0.103712 Ho\n0.666667 0.333333 0.896288 Ho\n0.666667 0.333333 0.603712 Ho\n0.333333 0.666667 0.396288 Ho\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666667 0.681185 Al\n0.666667 0.333333 0.318815 Al\n0.666667 0.333333 0.181185 Al\n0.333333 0.666667 0.818815 Al\n0.505446 0.010892 0.158419 O\n0.494554 0.989108 0.841581 O\n0.989108 0.494554 0.158419 O\n0.494554 0.989108 0.658419 O\n0.010892 0.505446 0.841581 O\n0.505446 0.010892 0.341581 O\n0.505446 0.494554 0.158419 O\n0.010892 0.505446 0.658419 O\n0.494554 0.505446 0.841581 O\n0.989108 0.494554 0.341581 O\n0.494554 0.505446 0.658419 O\n0.505446 0.494554 0.341581 O\n0.162196 0.324392 0.050729 O\n0.837804 0.675608 0.949271 O\n0.675608 0.837804 0.050729 O\n0.837804 0.675608 0.550729 O\n0.324392 0.162196 0.949271 O\n0.162196 0.324392 0.449271 O\n0.162196 0.837804 0.050729 O\n0.324392 0.162196 0.550729 O\n0.837804 0.162196 0.949271 O\n0.675608 0.837804 0.449271 O\n0.837804 0.162196 0.550729 O\n0.162196 0.837804 0.449271 O\n0.333333 0.666667 0.750000 O\n0.666667 0.333333 0.250000 O\n",
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"formula_full": "Ba10 Ho4 Zr2 Al4 O26",
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{
"id": "mp-1095923",
"created_at": "2022-09-04T14:41:12.281214Z",
"structure_string": "Sc1 Si1 Ru2\n1.0\n-4.492304 5.589542 7.906346\n4.492304 -5.589542 7.906346\n4.492304 5.589542 -7.906346\nSc Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Si\n0.000000 0.246334 0.246334 Ru\n0.000000 0.753666 0.753666 Ru\n",
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"formula_full": "Sc1 Si1 Ru2",
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{
"id": "mp-676617",
"created_at": "2022-09-04T14:43:15.048376Z",
"structure_string": "Ba5 Bi14 O21\n1.0\n3.641281 0.000000 0.000000\n0.164023 3.663737 0.000000\n1.587594 1.379742 59.525674\nBa Bi O\n5 14 21\ndirect\n0.537414 0.532002 0.941635 Ba\n0.582838 0.579560 0.829240 Ba\n0.617593 0.615370 0.727162 Ba\n0.415864 0.415930 0.170427 Ba\n0.927934 0.930094 0.112750 Ba\n0.053516 0.022998 0.883006 Bi\n0.089606 0.088093 0.778728 Bi\n0.141563 0.139527 0.674537 Bi\n0.673360 0.685352 0.625466 Bi\n0.281215 0.239022 0.571558 Bi\n0.799325 0.810623 0.531672 Bi\n0.238052 0.210158 0.475901 Bi\n0.806484 0.835363 0.420391 Bi\n0.237913 0.221118 0.364491 Bi\n0.843994 0.857992 0.324256 Bi\n0.397108 0.394967 0.273470 Bi\n0.901975 0.899553 0.222048 Bi\n0.436920 0.442949 0.063044 Bi\n0.005013 0.003013 0.012929 Bi\n0.053446 0.049237 0.959586 O\n0.204339 0.204143 0.980241 O\n0.031256 0.011677 0.917360 O\n0.426232 0.502546 0.877802 O\n0.085240 0.081522 0.819835 O\n0.655292 0.650148 0.779430 O\n0.109091 0.107736 0.740368 O\n0.579846 0.576406 0.678050 O\n0.260879 0.257639 0.629362 O\n0.667063 0.699826 0.589468 O\n0.215124 0.174994 0.511472 O\n0.766092 0.848565 0.472056 O\n0.278575 0.197944 0.423719 O\n0.826429 0.868600 0.384720 O\n0.306094 0.291555 0.309715 O\n0.865943 0.871209 0.258266 O\n0.465642 0.473932 0.217468 O\n0.919472 0.918601 0.156963 O\n0.429853 0.431723 0.101853 O\n0.009956 0.999457 0.062968 O\n0.409080 0.411486 0.021326 O\n",
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{
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