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{
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"results": [
{
"id": "mp-754832",
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"structure_string": "Li3 Co5 O1 F11\n1.0\n5.180601 -0.041122 0.057058\n-2.552105 1.551556 4.680204\n2.700577 -7.623018 4.720496\nLi Co O F\n3 5 1 11\ndirect\n0.022482 0.035200 0.999390 Li\n0.530531 0.298901 0.266230 Li\n0.508408 0.764303 0.760959 Li\n0.978071 0.495422 0.498020 Co\n0.312762 0.771829 0.146084 Co\n0.303086 0.232603 0.647615 Co\n0.770910 0.004755 0.401102 Co\n0.808510 0.507415 0.906521 Co\n0.602823 0.253865 0.457060 O\n0.079652 0.854774 0.352224 F\n0.223586 0.423944 0.288688 F\n0.208031 0.898643 0.802816 F\n0.406955 0.159272 0.042144 F\n0.377234 0.638198 0.542606 F\n0.098082 0.346564 0.847067 F\n0.911955 0.599672 0.103104 F\n0.596040 0.749821 0.950672 F\n0.709500 0.002332 0.195112 F\n0.709020 0.506285 0.709090 F\n0.892119 0.080602 0.608373 F\n",
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{
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"structure_string": "Li4 Mn4 F16\n1.0\n5.194370 0.000000 0.000000\n0.000000 5.756467 0.000000\n0.000000 0.000000 9.650373\nLi Mn F\n4 4 16\ndirect\n0.004749 0.012881 0.989745 Li\n0.504749 0.512881 0.510255 Li\n0.495251 0.012881 0.489745 Li\n0.995251 0.512881 0.010255 Li\n0.535109 0.167899 0.148804 Mn\n0.035109 0.667899 0.351196 Mn\n0.964891 0.167899 0.648804 Mn\n0.464891 0.667899 0.851196 Mn\n0.286635 0.770994 0.011136 F\n0.232848 0.260935 0.059726 F\n0.858492 0.533556 0.205685 F\n0.835371 0.016806 0.197849 F\n0.335371 0.516806 0.302151 F\n0.358492 0.033556 0.294315 F\n0.732848 0.760935 0.440274 F\n0.786635 0.270994 0.488864 F\n0.213365 0.770994 0.511136 F\n0.267152 0.260935 0.559726 F\n0.641508 0.533556 0.705685 F\n0.664629 0.016806 0.697849 F\n0.164629 0.516806 0.802151 F\n0.141508 0.033556 0.794315 F\n0.767152 0.760935 0.940274 F\n0.713365 0.270994 0.988864 F\n",
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],
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"density_atomic": 0.08317220992161235,
"volume": 288.55792124099355,
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"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
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"energy": -142.95901987,
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{
"id": "mp-645743",
"created_at": "2022-09-04T14:48:25.196702Z",
"structure_string": "V4 Ag4 Te4 O20\n1.0\n11.543417 0.000000 0.000000\n0.000000 5.947793 0.000000\n0.000000 1.516335 6.731902\nV Ag Te O\n4 4 4 20\ndirect\n0.120695 0.320703 0.411755 V\n0.879305 0.679297 0.588245 V\n0.379305 0.320703 0.911755 V\n0.620695 0.679297 0.088245 V\n0.791498 0.198229 0.309506 Ag\n0.708502 0.198229 0.809506 Ag\n0.208502 0.801771 0.690494 Ag\n0.291498 0.801771 0.190494 Ag\n0.939457 0.759487 0.097215 Te\n0.439457 0.240513 0.402785 Te\n0.560543 0.759487 0.597215 Te\n0.060543 0.240513 0.902785 Te\n0.907907 0.123699 0.987303 O\n0.297264 0.531397 0.968024 O\n0.207638 0.135935 0.325455 O\n0.792362 0.864065 0.674545 O\n0.483787 0.438521 0.720051 O\n0.547591 0.834659 0.858280 O\n0.707638 0.864065 0.174545 O\n0.452409 0.165341 0.141720 O\n0.592093 0.123699 0.487303 O\n0.202736 0.531397 0.468024 O\n0.702736 0.468603 0.031976 O\n0.797264 0.468603 0.531976 O\n0.016213 0.438521 0.220051 O\n0.516213 0.561479 0.279949 O\n0.092093 0.876301 0.012697 O\n0.407907 0.876301 0.512697 O\n0.952409 0.834659 0.358280 O\n0.292362 0.135935 0.825455 O\n0.047591 0.165341 0.641720 O\n0.983787 0.561479 0.779949 O\n",
"nsites": 32,
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],
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"formula_full": "V4 Ag4 Te4 O20",
"formula_reduced": "VAgTeO5",
"formula_anonymous": "ABCD5",
"energy": -211.76001343,
"energy_per_atom": -6.6175004196875,
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"updated_at": "2021-11-28T01:39:47.653000Z",
"spacegroup": 14
},
{
"id": "mp-8500",
"created_at": "2022-09-04T14:43:35.612264Z",
"structure_string": "As1 S2 N1 F6\n1.0\n3.374408 4.801539 0.000000\n-3.374408 4.801539 0.000000\n0.000000 0.232463 5.454256\nAs S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 As\n0.358486 0.358486 0.624750 S\n0.641514 0.641514 0.375250 S\n0.500000 0.500000 0.500000 N\n0.920902 0.293408 0.858307 F\n0.079098 0.706592 0.141693 F\n0.293408 0.920902 0.858307 F\n0.892678 0.892678 0.744018 F\n0.107322 0.107322 0.255982 F\n0.706592 0.079098 0.141693 F\n",
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"N",
"F"
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"density_atomic": 0.05657915193653232,
"volume": 176.74354700857842,
"volume_molar": 10.643745185073358,
"formula_full": "As1 S2 N1 F6",
"formula_reduced": "AsS2NF6",
"formula_anonymous": "ABC2D6",
"energy": -49.82985439,
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},
{
"id": "mp-554787",
"created_at": "2022-09-04T14:44:58.016367Z",
"structure_string": "Rb4 Mo4 I4 O24\n1.0\n7.499207 0.000000 0.000000\n0.000000 7.846863 0.000000\n0.000000 0.000000 10.465062\nRb Mo I O\n4 4 4 24\ndirect\n0.862985 0.018479 0.618442 Rb\n0.362985 0.981521 0.381558 Rb\n0.862985 0.518479 0.881558 Rb\n0.362985 0.481521 0.118442 Rb\n0.094545 0.507848 0.528706 Mo\n0.594545 0.492152 0.471294 Mo\n0.094545 0.007848 0.971294 Mo\n0.594545 0.992152 0.028706 Mo\n0.430887 0.278555 0.740912 I\n0.930887 0.221445 0.240912 I\n0.930887 0.721445 0.259088 I\n0.430887 0.778555 0.759088 I\n0.047611 0.278824 0.389808 O\n0.633639 0.362919 0.659490 O\n0.047611 0.778824 0.110192 O\n0.531909 0.131633 0.151334 O\n0.133639 0.137081 0.159490 O\n0.031909 0.868367 0.848666 O\n0.130203 0.701519 0.609060 O\n0.338539 0.437746 0.519365 O\n0.547611 0.721176 0.610192 O\n0.633639 0.862919 0.840510 O\n0.630203 0.798481 0.109060 O\n0.031909 0.368367 0.651334 O\n0.531909 0.631633 0.348666 O\n0.422272 0.571874 0.842875 O\n0.422272 0.071874 0.657125 O\n0.838539 0.562254 0.480635 O\n0.922272 0.428126 0.157125 O\n0.338539 0.937746 0.980635 O\n0.547611 0.221176 0.889808 O\n0.922272 0.928126 0.342875 O\n0.133639 0.637081 0.340510 O\n0.130203 0.201519 0.890940 O\n0.838539 0.062254 0.019365 O\n0.630203 0.298481 0.390940 O\n",
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],
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"density_atomic": 0.05845871749837586,
"volume": 615.8191890029092,
"volume_molar": 10.301527330234897,
"formula_full": "Rb4 Mo4 I4 O24",
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"energy": -231.08101193,
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"spacegroup": 33
},
{
"id": "mp-1227270",
"created_at": "2022-09-04T14:40:56.663939Z",
"structure_string": "Ca2 Ti16 Zn4 O38\n1.0\n9.286064 0.000000 0.000000\n3.398246 8.662357 0.000000\n3.408863 2.329552 8.342954\nCa Ti Zn O\n2 16 4 38\ndirect\n0.004151 0.999520 0.996344 Ca\n0.497832 0.501621 0.500678 Ca\n0.848308 0.703449 0.282411 Ti\n0.277421 0.850044 0.694729 Ti\n0.696347 0.281055 0.850433 Ti\n0.149856 0.308033 0.715938 Ti\n0.721708 0.149082 0.303944 Ti\n0.297070 0.724249 0.150239 Ti\n0.352842 0.527787 0.923669 Ti\n0.919775 0.356518 0.527485 Ti\n0.520419 0.920321 0.363500 Ti\n0.640553 0.471572 0.080759 Ti\n0.078171 0.642544 0.478356 Ti\n0.472492 0.077697 0.643826 Ti\n0.873883 0.982207 0.649040 Ti\n0.654884 0.865516 0.984989 Ti\n0.013234 0.353206 0.130983 Ti\n0.345968 0.132336 0.017223 Ti\n0.691315 0.690124 0.691461 Zn\n0.310865 0.308741 0.306847 Zn\n0.988660 0.652719 0.866298 Zn\n0.132242 0.012194 0.346370 Zn\n0.701784 0.080059 0.539966 O\n0.545926 0.699989 0.077016 O\n0.085366 0.532692 0.694205 O\n0.307302 0.914719 0.463315 O\n0.460553 0.296709 0.920542 O\n0.921817 0.457687 0.299668 O\n0.931908 0.284193 0.760914 O\n0.762841 0.931594 0.286740 O\n0.284268 0.756093 0.933063 O\n0.067816 0.716687 0.237877 O\n0.245661 0.065839 0.715619 O\n0.711258 0.239179 0.068761 O\n0.058308 0.865027 0.758994 O\n0.763305 0.058955 0.846263 O\n0.840248 0.772928 0.064089 O\n0.937639 0.159550 0.227403 O\n0.243271 0.939936 0.134124 O\n0.155160 0.234147 0.939839 O\n0.775589 0.796963 0.787265 O\n0.218922 0.216320 0.204051 O\n0.627084 0.705913 0.367148 O\n0.364358 0.626066 0.707835 O\n0.703403 0.368653 0.628170 O\n0.374923 0.293792 0.632602 O\n0.630595 0.371935 0.296201 O\n0.293207 0.636570 0.371721 O\n0.001821 0.849901 0.499801 O\n0.486346 0.013995 0.859639 O\n0.857691 0.476109 0.017767 O\n0.980282 0.144645 0.520977 O\n0.513565 0.987955 0.139771 O\n0.147845 0.503308 0.996889 O\n0.863923 0.610530 0.512892 O\n0.517872 0.864525 0.608593 O\n0.613692 0.511302 0.864097 O\n0.136638 0.384159 0.485651 O\n0.486625 0.135098 0.389675 O\n0.393192 0.485741 0.135335 O\n",
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{
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"structure_string": "Na3 Dy1 Ti2 Nb2 O12\n1.0\n5.441879 0.000000 0.000000\n0.076698 5.589097 0.000000\n0.004773 0.017220 7.763063\nNa Dy Ti Nb O\n3 1 2 2 12\ndirect\n0.490311 0.529087 0.748692 Na\n0.003737 0.020549 0.749748 Na\n0.508707 0.463952 0.250046 Na\n0.990461 0.936494 0.250188 Dy\n0.488800 0.982299 0.007254 Ti\n0.003857 0.476307 0.493029 Ti\n0.493860 0.992177 0.511852 Nb\n0.003125 0.477610 0.988492 Nb\n0.205591 0.802975 0.975267 O\n0.291127 0.301194 0.537566 O\n0.804733 0.211150 0.446665 O\n0.720021 0.735229 0.052652 O\n0.802552 0.208691 0.054298 O\n0.724082 0.732216 0.447866 O\n0.203301 0.801348 0.526236 O\n0.298119 0.296733 0.960079 O\n0.569893 0.984409 0.753274 O\n0.918464 0.488418 0.747181 O\n0.401645 0.028193 0.246347 O\n0.077617 0.530970 0.253268 O\n",
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{
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{
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