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{
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"results": [
{
"id": "mp-849423",
"created_at": "2022-09-04T14:45:18.591974Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.460984 0.000000 0.000000\n-2.658195 6.953998 0.000000\n-0.314774 -1.643651 14.460060\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.261638 0.865308 0.693767 Li\n0.067600 0.466780 0.641690 Li\n0.404095 0.796963 0.974079 Li\n0.601055 0.203476 0.024834 Li\n0.931527 0.532679 0.359394 Li\n0.735184 0.133429 0.306887 Li\n0.335511 0.335410 0.834783 Mn\n0.333172 0.333643 0.333378 Mn\n0.668108 0.667989 0.666369 Mn\n0.662393 0.663872 0.165850 V\n0.999909 0.000073 0.500150 V\n0.000601 0.999090 0.999215 V\n0.013518 0.379997 0.148538 P\n0.311291 0.951779 0.184408 P\n0.349363 0.715660 0.481840 P\n0.651049 0.284967 0.517981 P\n0.683393 0.047549 0.814134 P\n0.988613 0.619174 0.852580 P\n0.052894 0.989748 0.326632 H\n0.284656 0.347029 0.007946 H\n0.388273 0.325418 0.658687 H\n0.615034 0.677060 0.341030 H\n0.715175 0.652559 0.991778 H\n0.946406 0.010313 0.674506 H\n0.090749 0.830371 0.901104 O\n0.039048 0.837759 0.218548 O\n0.141079 0.798436 0.448661 O\n0.204641 0.540732 0.884585 O\n0.296479 0.955815 0.077338 O\n0.020185 0.375369 0.254214 O\n0.355595 0.712741 0.587526 O\n0.248038 0.504903 0.432629 O\n0.050931 0.100489 0.370264 O\n0.287770 0.494471 0.115074 O\n0.285756 0.237866 0.962917 O\n0.577552 0.836194 0.765860 O\n0.522428 0.869485 0.213978 O\n0.388019 0.435372 0.703447 O\n0.624956 0.828583 0.448379 O\n0.375483 0.171368 0.551113 O\n0.615100 0.566486 0.296775 O\n0.464991 0.126592 0.787286 O\n0.416253 0.162450 0.232876 O\n0.719514 0.762073 0.037780 O\n0.720604 0.507378 0.889014 O\n0.948589 0.899979 0.630095 O\n0.752196 0.495603 0.567044 O\n0.644925 0.288374 0.412070 O\n0.977908 0.623256 0.746885 O\n0.704813 0.042371 0.921300 O\n0.803744 0.461654 0.115917 O\n0.858983 0.201935 0.550973 O\n0.949379 0.161043 0.777354 O\n0.913839 0.170887 0.098544 O\n",
"nsites": 54,
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"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
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"density": 3.118159071755183,
"density_atomic": 0.09833728174121079,
"volume": 549.1304929712115,
"volume_molar": 6.1239650449644945,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.47439363,
"energy_per_atom": -7.360636919074074,
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"updated_at": "2021-11-28T01:37:00.769000Z",
"spacegroup": 1
},
{
"id": "mp-772306",
"created_at": "2022-09-04T14:45:19.634577Z",
"structure_string": "Na10 Li2 Fe4 P4 C4 O28\n1.0\n6.602551 0.000000 0.000000\n-0.088220 8.987990 0.000000\n-0.035210 -0.176263 10.382001\nNa Li Fe P C O\n10 2 4 4 4 28\ndirect\n0.246092 0.917561 0.629464 Na\n0.248608 0.916845 0.130985 Na\n0.498656 0.739971 0.374278 Na\n0.001065 0.739492 0.874662 Na\n0.499281 0.738937 0.874243 Na\n0.501344 0.260029 0.625722 Na\n0.500719 0.261063 0.125757 Na\n0.998935 0.260508 0.125338 Na\n0.753908 0.082439 0.370536 Na\n0.751392 0.083155 0.869015 Na\n0.004032 0.731710 0.372588 Li\n0.995969 0.268290 0.627412 Li\n0.750090 0.644412 0.641178 Fe\n0.751938 0.644938 0.143772 Fe\n0.249910 0.355588 0.358822 Fe\n0.248062 0.355062 0.856228 Fe\n0.243323 0.585257 0.598279 P\n0.249881 0.586448 0.101406 P\n0.756677 0.414743 0.401721 P\n0.750119 0.413552 0.898594 P\n0.757124 0.942659 0.615441 C\n0.750711 0.939689 0.116573 C\n0.242876 0.057341 0.384559 C\n0.249289 0.060311 0.883427 C\n0.234849 0.912772 0.391440 O\n0.251586 0.916636 0.891269 O\n0.750181 0.879019 0.727025 O\n0.751882 0.876920 0.228867 O\n0.755126 0.859714 0.511379 O\n0.751840 0.856732 0.012871 O\n0.061385 0.682051 0.643564 O\n0.436858 0.675507 0.640640 O\n0.064323 0.681437 0.145268 O\n0.440080 0.681146 0.142021 O\n0.238479 0.571693 0.448155 O\n0.763917 0.571704 0.342258 O\n0.247213 0.567044 0.951917 O\n0.749966 0.567264 0.835417 O\n0.236083 0.428296 0.657742 O\n0.761521 0.428307 0.551845 O\n0.250034 0.432736 0.164583 O\n0.752787 0.432956 0.048083 O\n0.563142 0.324493 0.359360 O\n0.938615 0.317949 0.356436 O\n0.559920 0.318854 0.857979 O\n0.935677 0.318563 0.854732 O\n0.244874 0.140286 0.488621 O\n0.248160 0.143268 0.987129 O\n0.249819 0.120981 0.272975 O\n0.248118 0.123080 0.771133 O\n0.765151 0.087228 0.608560 O\n0.748414 0.083364 0.108731 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.9299181472182205,
"density_atomic": 0.08440106606330287,
"volume": 616.1059619910336,
"volume_molar": 7.135147742663874,
"formula_full": "Na10 Li2 Fe4 P4 C4 O28",
"formula_reduced": "Na5LiFe2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -366.80485366,
"energy_per_atom": -7.053939493461538,
"energy_above_hull": null,
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"band_gap": 3.6191,
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"updated_at": "2021-11-28T01:37:02.654000Z",
"spacegroup": 2
},
{
"id": "mp-1198749",
"created_at": "2022-09-04T14:45:20.815752Z",
"structure_string": "Ca4 Al4 Si12 Sn2 H12 O44\n1.0\n-0.016764 0.000000 -7.560446\n0.000000 -7.829881 0.000000\n-15.726889 0.000000 3.105950\nCa Al Si Sn H O\n4 4 12 2 12 44\ndirect\n0.997345 0.811338 0.200430 Ca\n0.002655 0.311338 0.299570 Ca\n0.002655 0.188662 0.799570 Ca\n0.997345 0.688662 0.700430 Ca\n0.320416 0.521764 0.228599 Al\n0.679584 0.021764 0.271401 Al\n0.679584 0.478236 0.771401 Al\n0.320416 0.978236 0.728599 Al\n0.287015 0.669238 0.043678 Si\n0.712985 0.169238 0.456322 Si\n0.712985 0.330762 0.956322 Si\n0.287015 0.830762 0.543678 Si\n0.693664 0.645253 0.333569 Si\n0.306336 0.145253 0.166431 Si\n0.306336 0.354747 0.666431 Si\n0.693664 0.854747 0.833569 Si\n0.667621 0.716295 0.006988 Si\n0.332379 0.216295 0.493012 Si\n0.332379 0.283705 0.993012 Si\n0.667621 0.783705 0.506988 Si\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.725473 0.509567 0.188446 H\n0.274527 0.009567 0.311554 H\n0.274527 0.490433 0.811554 H\n0.725473 0.990433 0.688446 H\n0.847156 0.467996 0.121410 H\n0.152844 0.967996 0.378590 H\n0.152844 0.532004 0.878590 H\n0.847156 0.032004 0.621410 H\n0.215936 0.631892 0.356655 H\n0.784064 0.131892 0.143345 H\n0.784064 0.368108 0.643345 H\n0.215936 0.868108 0.856655 H\n0.163284 0.698418 0.479725 O\n0.836716 0.198417 0.020275 O\n0.836716 0.301582 0.520275 O\n0.163284 0.801582 0.979725 O\n0.265106 0.483917 0.992594 O\n0.734894 0.983917 0.507406 O\n0.734894 0.516083 0.007406 O\n0.265106 0.016083 0.492594 O\n0.762972 0.809453 0.284726 O\n0.237028 0.309453 0.215274 O\n0.237028 0.190547 0.715274 O\n0.762972 0.690547 0.784726 O\n0.861989 0.522284 0.375454 O\n0.138011 0.022284 0.124546 O\n0.138011 0.477716 0.624546 O\n0.861989 0.977716 0.875454 O\n0.233982 0.644074 0.136666 O\n0.766018 0.144074 0.363334 O\n0.766018 0.355926 0.863334 O\n0.233982 0.855926 0.636666 O\n0.835416 0.832323 0.054731 O\n0.164584 0.332323 0.445269 O\n0.164584 0.167677 0.945269 O\n0.835416 0.667677 0.554731 O\n0.553511 0.533934 0.264560 O\n0.446489 0.033934 0.235440 O\n0.446489 0.466066 0.735440 O\n0.553511 0.966066 0.764560 O\n0.852240 0.503276 0.181096 O\n0.147760 0.003276 0.318904 O\n0.147760 0.496724 0.818904 O\n0.852240 0.996724 0.681096 O\n0.181460 0.605230 0.296319 O\n0.818540 0.105230 0.203681 O\n0.818540 0.394770 0.703681 O\n0.181460 0.894770 0.796319 O\n0.501789 0.724095 0.058692 O\n0.498211 0.224095 0.441308 O\n0.498211 0.275905 0.941308 O\n0.501789 0.775905 0.558692 O\n0.593517 0.723376 0.408356 O\n0.406483 0.223376 0.091644 O\n0.406483 0.276624 0.591644 O\n0.593517 0.776624 0.908356 O\n",
"nsites": 78,
"nelements": 6,
"elements": [
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"Al",
"Si",
"Sn",
"H",
"O"
],
"chemical_system": "Al-Ca-H-O-Si-Sn",
"density": 2.77901487520725,
"density_atomic": 0.08374503429010924,
"volume": 931.3985081168238,
"volume_molar": 7.191042204530149,
"formula_full": "Ca4 Al4 Si12 Sn2 H12 O44",
"formula_reduced": "Ca2Al2Si6Sn(H3O11)2",
"formula_anonymous": "AB2C2D6E6F22",
"energy": -572.5744711699999,
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"energy_uncorrected": -542.34647117,
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"updated_at": "2021-11-28T01:37:02.913000Z",
"spacegroup": 14
},
{
"id": "mp-684698",
"created_at": "2022-09-04T14:45:07.733761Z",
"structure_string": "Sn2 As2 H22 C7 Cl2 O4\n1.0\n7.844036 0.000000 0.000000\n-1.357844 -8.152876 0.000000\n-2.460187 0.129938 -7.907736\nSn As H C Cl O\n2 2 22 7 2 4\ndirect\n0.067887 0.169113 0.481086 Sn\n0.910840 0.775059 0.417610 Sn\n0.821358 0.237100 0.054190 As\n0.297076 0.838515 0.653869 As\n0.572156 0.022928 0.108151 H\n0.683321 0.083913 0.602054 H\n0.890113 0.116989 0.957536 H\n0.422926 0.210795 0.661375 H\n0.419612 0.224996 0.443360 H\n0.776198 0.345805 0.895454 H\n0.480989 0.395035 0.107374 H\n0.883850 0.333600 0.673541 H\n0.228930 0.361243 0.120319 H\n0.378362 0.393100 0.549971 H\n0.568987 0.620146 0.443139 H\n0.861904 0.577416 0.792787 H\n0.853330 0.665060 0.770308 H\n0.196556 0.596952 0.424318 H\n0.553156 0.679664 0.877368 H\n0.174587 0.611803 0.017629 H\n0.684115 0.994389 0.590078 H\n0.540931 0.817531 0.332491 H\n0.083135 0.911304 0.933013 H\n0.333599 0.906201 0.487391 H\n0.504104 0.083614 0.891235 H\n0.155776 0.956514 0.164112 H\n0.572738 0.126154 0.021896 C\n0.895800 0.350276 0.543679 C\n0.358375 0.259382 0.537028 C\n0.632183 0.740109 0.410387 C\n0.141326 0.868575 0.062655 C\n0.151502 0.627699 0.533355 C\n0.182130 0.721524 0.090933 C\n0.365354 0.259174 0.078934 Cl\n0.623290 0.638176 0.032662 Cl\n0.941811 0.992732 0.300936 O\n0.786772 0.413598 0.430874 O\n0.119025 0.509030 0.635480 O\n0.096300 0.941083 0.636423 O\n",
"nsites": 39,
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"elements": [
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],
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"density": 2.0634503187496387,
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"formula_full": "Sn2 As2 H22 C7 Cl2 O4",
"formula_reduced": "Sn2As2H22C7(ClO2)2",
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"energy": -181.24484047,
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"updated_at": "2021-11-28T01:36:51.392000Z",
"spacegroup": 1
},
{
"id": "mp-1221023",
"created_at": "2022-09-04T14:43:51.053382Z",
"structure_string": "Na2 Gd2 Ti2 Nb2 O12 F2\n1.0\n-3.579299 3.778857 5.154634\n3.579299 -3.778857 5.154634\n3.579299 3.778857 -5.154634\nNa Gd Ti Nb O F\n2 2 2 2 12 2\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.920160 0.170160 0.750000 O\n0.317342 0.567342 0.750000 O\n0.936355 0.585922 0.767003 O\n0.318919 0.169352 0.732997 O\n0.936355 0.169352 0.350433 O\n0.318919 0.585922 0.149567 O\n0.079840 0.829840 0.250000 O\n0.682658 0.432658 0.250000 O\n0.063645 0.414078 0.232997 O\n0.681081 0.830648 0.267003 O\n0.063645 0.830648 0.649567 O\n0.681081 0.414078 0.850433 O\n0.627775 0.877775 0.750000 F\n0.372225 0.122225 0.250000 F\n",
"nsites": 22,
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"elements": [
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"Gd",
"Ti",
"Nb",
"O",
"F"
],
"chemical_system": "F-Gd-Na-Nb-O-Ti",
"density": 5.192269686582905,
"density_atomic": 0.07888717768650273,
"volume": 278.87928869033567,
"volume_molar": 7.633865143372171,
"formula_full": "Na2 Gd2 Ti2 Nb2 O12 F2",
"formula_reduced": "NaGdTiNbO6F",
"formula_anonymous": "ABCDEF6",
"energy": -203.97723082,
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"updated_at": "2021-11-28T01:36:24.936000Z",
"spacegroup": 74
},
{
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{
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{
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{
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},
{
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"structure_string": "P6 H36 Ru2 C12 S12 O12\n1.0\n5.679208 7.178788 0.000000\n-5.679208 7.178788 0.000000\n0.000000 1.684423 13.085782\nP H Ru C S O\n6 36 2 12 12 12\ndirect\n0.647112 0.709789 0.650102 P\n0.290211 0.352888 0.849898 P\n0.352888 0.290211 0.349898 P\n0.709789 0.647112 0.150102 P\n0.066389 0.933611 0.750000 P\n0.933611 0.066389 0.250000 P\n0.693088 0.082311 0.657217 H\n0.917689 0.306912 0.842783 H\n0.306912 0.917689 0.342783 H\n0.082311 0.693088 0.157217 H\n0.593092 0.983944 0.755039 H\n0.016056 0.406908 0.744961 H\n0.406908 0.016056 0.244961 H\n0.983944 0.593092 0.255039 H\n0.521823 0.034321 0.630795 H\n0.965679 0.478177 0.869205 H\n0.478177 0.965679 0.369205 H\n0.034321 0.521823 0.130795 H\n0.890482 0.405748 0.530418 H\n0.594252 0.109518 0.969582 H\n0.109518 0.594252 0.469582 H\n0.405748 0.890482 0.030418 H\n0.689869 0.456085 0.526050 H\n0.543915 0.310131 0.973950 H\n0.310131 0.543915 0.473950 H\n0.456085 0.689869 0.026050 H\n0.770680 0.388249 0.645754 H\n0.611751 0.229320 0.854246 H\n0.229320 0.611751 0.354246 H\n0.388249 0.770680 0.145754 H\n0.075214 0.204872 0.540292 H\n0.795128 0.924786 0.959708 H\n0.924786 0.795128 0.459708 H\n0.204872 0.075214 0.040292 H\n0.147635 0.006138 0.537157 H\n0.993862 0.852365 0.962843 H\n0.852365 0.993862 0.462844 H\n0.006138 0.147635 0.037157 H\n0.233505 0.114610 0.610917 H\n0.885390 0.766495 0.889083 H\n0.766495 0.885390 0.389083 H\n0.114610 0.233505 0.110917 H\n0.335639 0.664361 0.750000 Ru\n0.664361 0.335639 0.250000 Ru\n0.623405 0.998642 0.672556 C\n0.001358 0.376595 0.827444 C\n0.376595 0.001358 0.327444 C\n0.998642 0.623405 0.172556 C\n0.783551 0.454126 0.572411 C\n0.545874 0.216449 0.927589 C\n0.216449 0.545874 0.427589 C\n0.454126 0.783551 0.072411 C\n0.127593 0.101780 0.584487 C\n0.898220 0.872407 0.915513 C\n0.872407 0.898220 0.415513 C\n0.101780 0.127593 0.084487 C\n0.600748 0.633747 0.794394 S\n0.366253 0.399252 0.705606 S\n0.399252 0.366253 0.205606 S\n0.633747 0.600748 0.294394 S\n0.452385 0.730889 0.584357 S\n0.269111 0.547615 0.915643 S\n0.547615 0.269111 0.415643 S\n0.730889 0.452385 0.084357 S\n0.264904 0.908725 0.811979 S\n0.091275 0.735096 0.688021 S\n0.735096 0.091275 0.188021 S\n0.908725 0.264904 0.311979 S\n0.714468 0.858492 0.636367 O\n0.141508 0.285532 0.863633 O\n0.285532 0.141508 0.363633 O\n0.858492 0.714468 0.136367 O\n0.789254 0.607160 0.589932 O\n0.392840 0.210746 0.910068 O\n0.210746 0.392840 0.410068 O\n0.607160 0.789254 0.089932 O\n0.022120 0.080228 0.672188 O\n0.919772 0.977880 0.827812 O\n0.977880 0.919772 0.327812 O\n0.080228 0.022120 0.172188 O\n",
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"elements": [
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],
"chemical_system": "C-H-O-P-Ru-S",
"density": 1.7821749412362524,
"density_atomic": 0.07497585158610282,
"volume": 1067.010221392783,
"volume_molar": 8.032107181982628,
"formula_full": "P6 H36 Ru2 C12 S12 O12",
"formula_reduced": "P3H18RuC6(SO)6",
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"energy": -445.41216461,
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"band_gap": 3.1255,
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"is_magnetic": true,
"total_magnetization": 2.0039316,
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"updated_at": "2021-11-28T01:37:08.837000Z",
"spacegroup": 15
},
{
"id": "mp-1198791",
"created_at": "2022-09-04T14:45:29.223775Z",
"structure_string": "Sb8 Te12 W4 C16 O16 F48\n1.0\n8.735915 0.000000 0.000000\n0.000000 15.167585 0.000000\n0.000000 0.000000 15.770287\nSb Te W C O F\n8 12 4 16 16 48\ndirect\n0.250000 0.555239 0.344093 Sb\n0.250000 0.944761 0.844093 Sb\n0.750000 0.444761 0.655907 Sb\n0.750000 0.055239 0.155907 Sb\n0.250000 0.245713 0.037565 Sb\n0.250000 0.254287 0.537565 Sb\n0.750000 0.754287 0.962435 Sb\n0.750000 0.745713 0.462435 Sb\n0.250000 0.555216 0.631429 Te\n0.250000 0.944784 0.131429 Te\n0.750000 0.444784 0.368571 Te\n0.750000 0.055216 0.868571 Te\n0.090923 0.686473 0.717366 Te\n0.409077 0.813527 0.217366 Te\n0.590923 0.313527 0.282634 Te\n0.909077 0.186473 0.782634 Te\n0.909077 0.313527 0.282634 Te\n0.590923 0.186473 0.782634 Te\n0.409077 0.686473 0.717366 Te\n0.090923 0.813527 0.217366 Te\n0.250000 0.555523 0.814812 W\n0.250000 0.944477 0.314812 W\n0.750000 0.444477 0.185188 W\n0.750000 0.055523 0.685188 W\n0.250000 0.421618 0.800418 C\n0.250000 0.078382 0.300418 C\n0.750000 0.578382 0.199582 C\n0.750000 0.921618 0.699582 C\n0.250000 0.621981 0.929570 C\n0.250000 0.878019 0.429570 C\n0.750000 0.378019 0.070430 C\n0.750000 0.121981 0.570430 C\n0.049708 0.515069 0.870264 C\n0.450292 0.984931 0.370264 C\n0.549708 0.484931 0.129736 C\n0.950292 0.015069 0.629736 C\n0.950292 0.484931 0.129736 C\n0.549708 0.015069 0.629736 C\n0.450292 0.515069 0.870264 C\n0.049708 0.984931 0.370264 C\n0.250000 0.346046 0.791220 O\n0.250000 0.153954 0.291220 O\n0.750000 0.653954 0.208780 O\n0.750000 0.846046 0.708780 O\n0.250000 0.659343 0.993071 O\n0.250000 0.840657 0.493071 O\n0.750000 0.340657 0.006929 O\n0.750000 0.159343 0.506929 O\n0.937776 0.492653 0.902401 O\n0.562224 0.007347 0.402401 O\n0.437776 0.507347 0.097599 O\n0.062224 0.992653 0.597599 O\n0.062224 0.507347 0.097599 O\n0.437776 0.992653 0.597599 O\n0.562224 0.492653 0.902401 O\n0.937776 0.007347 0.402401 O\n0.250000 0.445991 0.281428 F\n0.250000 0.054009 0.781428 F\n0.750000 0.554009 0.718572 F\n0.750000 0.945991 0.218572 F\n0.250000 0.664216 0.404943 F\n0.250000 0.835784 0.904943 F\n0.750000 0.335784 0.595057 F\n0.750000 0.164216 0.095057 F\n0.404913 0.601888 0.269461 F\n0.095087 0.898112 0.769461 F\n0.904913 0.398112 0.730539 F\n0.595087 0.101888 0.230539 F\n0.595087 0.398112 0.730539 F\n0.904913 0.101888 0.230539 F\n0.095087 0.601888 0.269461 F\n0.404913 0.898112 0.769461 F\n0.407465 0.508527 0.416288 F\n0.092535 0.991473 0.916288 F\n0.907465 0.491473 0.583712 F\n0.592535 0.008527 0.083712 F\n0.592535 0.491473 0.583712 F\n0.907465 0.008527 0.083712 F\n0.092535 0.508527 0.416288 F\n0.407465 0.991473 0.916288 F\n0.250000 0.128472 0.085682 F\n0.250000 0.371528 0.585682 F\n0.750000 0.871528 0.914318 F\n0.750000 0.628472 0.414318 F\n0.250000 0.362618 0.991390 F\n0.250000 0.137382 0.491390 F\n0.750000 0.637382 0.008610 F\n0.750000 0.862618 0.508610 F\n0.404849 0.280410 0.118379 F\n0.095151 0.219590 0.618379 F\n0.904849 0.719590 0.881621 F\n0.595151 0.780410 0.381621 F\n0.595151 0.719590 0.881621 F\n0.904849 0.780410 0.381621 F\n0.095151 0.280410 0.118379 F\n0.404849 0.219590 0.618379 F\n0.094493 0.211962 0.957914 F\n0.405507 0.288038 0.457914 F\n0.594493 0.788038 0.042086 F\n0.905507 0.711962 0.542086 F\n0.905507 0.788038 0.042086 F\n0.594493 0.711962 0.542086 F\n0.405507 0.211962 0.957914 F\n0.094493 0.288038 0.457914 F\n",
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"formula_full": "Sb8 Te12 W4 C16 O16 F48",
"formula_reduced": "Sb2Te3WC4(OF3)4",
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"energy": -626.90583073,
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}
]
}