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"updated_at": "2021-11-28T01:37:40.302000Z",
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{
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{
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"elements": [
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"updated_at": "2021-11-28T01:37:34.908000Z",
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},
{
"id": "mp-640715",
"created_at": "2022-09-04T14:39:20.196816Z",
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O\n0.180278 0.896082 0.942318 O\n",
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"elements": [
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"formula_full": "Rb24 Yb16 P24 O96",
"formula_reduced": "Rb3Yb2(PO4)3",
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"updated_at": "2021-11-28T01:34:24.511000Z",
"spacegroup": 199
},
{
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"created_at": "2022-09-04T14:41:58.357498Z",
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"nsites": 160,
"nelements": 5,
"elements": [
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"H",
"C",
"N",
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],
"chemical_system": "C-Cl-H-N-V",
"density": 1.5057587809027695,
"density_atomic": 0.08487104750534251,
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"volume_molar": 7.095636188089838,
"formula_full": "V4 H96 C16 N16 Cl28",
"formula_reduced": "VH24C4N4Cl7",
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"updated_at": "2021-11-28T01:35:33.704000Z",
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},
{
"id": "mp-15125",
"created_at": "2022-09-04T14:48:04.282712Z",
"structure_string": "Rb16 Cd8 Si40 O96\n1.0\n13.622084 0.000000 0.000000\n0.000000 13.892559 0.000000\n0.000000 0.000000 14.125496\nRb Cd Si O\n16 8 40 96\ndirect\n0.124940 0.127878 0.145191 Rb\n0.624940 0.372122 0.854809 Rb\n0.875060 0.627878 0.354809 Rb\n0.375060 0.872122 0.645191 Rb\n0.875060 0.872122 0.854809 Rb\n0.375060 0.627878 0.145191 Rb\n0.124940 0.372122 0.645191 Rb\n0.624940 0.127878 0.354809 Rb\n0.866201 0.377479 0.121430 Rb\n0.366201 0.122521 0.878570 Rb\n0.133799 0.877479 0.378570 Rb\n0.633799 0.622521 0.621430 Rb\n0.133799 0.622521 0.878570 Rb\n0.633799 0.877479 0.121430 Rb\n0.866201 0.122521 0.621430 Rb\n0.366201 0.377479 0.378570 Rb\n0.387067 0.837948 0.939297 Cd\n0.887067 0.662052 0.060703 Cd\n0.612933 0.337948 0.560703 Cd\n0.112933 0.162052 0.439297 Cd\n0.612933 0.162052 0.060703 Cd\n0.112933 0.337948 0.939297 Cd\n0.387067 0.662052 0.439297 Cd\n0.887067 0.837948 0.560703 Cd\n0.342525 0.913100 0.160385 Si\n0.842525 0.586900 0.839615 Si\n0.657475 0.413100 0.339615 Si\n0.157475 0.086900 0.660385 Si\n0.657475 0.086900 0.839615 Si\n0.157475 0.413100 0.160385 Si\n0.342525 0.586900 0.660385 Si\n0.842525 0.913100 0.339615 Si\n0.402108 0.371866 0.689947 Si\n0.902108 0.128134 0.310053 Si\n0.597892 0.871866 0.810053 Si\n0.097892 0.628134 0.189947 Si\n0.597892 0.628134 0.310053 Si\n0.097892 0.871866 0.689947 Si\n0.402108 0.128134 0.189947 Si\n0.902108 0.371866 0.810053 Si\n0.157989 0.594167 0.393945 Si\n0.657989 0.905833 0.606055 Si\n0.842011 0.094167 0.106055 Si\n0.342011 0.405833 0.893945 Si\n0.842011 0.405833 0.606055 Si\n0.342011 0.094167 0.393945 Si\n0.157989 0.905833 0.893945 Si\n0.657989 0.594167 0.106055 Si\n0.080414 0.112748 0.869637 Si\n0.580414 0.387252 0.130363 Si\n0.919586 0.612748 0.630363 Si\n0.419586 0.887252 0.369637 Si\n0.919586 0.887252 0.130363 Si\n0.419586 0.612748 0.869637 Si\n0.080414 0.387252 0.369637 Si\n0.580414 0.112748 0.630363 Si\n0.635000 0.675790 0.902996 Si\n0.135000 0.824210 0.097004 Si\n0.365000 0.175790 0.597004 Si\n0.865000 0.324210 0.402996 Si\n0.365000 0.324210 0.097004 Si\n0.865000 0.175790 0.902996 Si\n0.635000 0.824210 0.402996 Si\n0.135000 0.675790 0.597004 Si\n0.372955 0.159327 0.299971 O\n0.872955 0.340673 0.700029 O\n0.627045 0.659327 0.200029 O\n0.127045 0.840673 0.799971 O\n0.627045 0.840673 0.700029 O\n0.127045 0.659327 0.299971 O\n0.372955 0.340673 0.799971 O\n0.872955 0.159327 0.200029 O\n0.628486 0.180134 0.551060 O\n0.128486 0.319866 0.448940 O\n0.371514 0.680134 0.948940 O\n0.871514 0.819866 0.051060 O\n0.371514 0.819866 0.448940 O\n0.871514 0.680134 0.551060 O\n0.628486 0.319866 0.051060 O\n0.128486 0.180134 0.948940 O\n0.726636 0.885489 0.361751 O\n0.226636 0.614511 0.638249 O\n0.273364 0.385489 0.138249 O\n0.773364 0.114511 0.861751 O\n0.273364 0.114511 0.638249 O\n0.773364 0.385489 0.361751 O\n0.726636 0.614511 0.861751 O\n0.226636 0.885489 0.138249 O\n0.420322 0.632621 0.588607 O\n0.920322 0.867379 0.411393 O\n0.579678 0.132621 0.911393 O\n0.079678 0.367379 0.088607 O\n0.579678 0.367379 0.411393 O\n0.079678 0.132621 0.588607 O\n0.420322 0.867379 0.088607 O\n0.920322 0.632621 0.911393 O\n0.161783 0.968465 0.662786 O\n0.661783 0.531535 0.337214 O\n0.838217 0.468465 0.837214 O\n0.338217 0.031535 0.162786 O\n0.838217 0.031535 0.337214 O\n0.338217 0.468465 0.662786 O\n0.161783 0.531535 0.162786 O\n0.229707 0.437921 0.896408 O\n0.661783 0.968465 0.837214 O\n0.982211 0.617638 0.177406 O\n0.517789 0.382362 0.677406 O\n0.017789 0.117638 0.322594 O\n0.517789 0.117638 0.177406 O\n0.017789 0.382362 0.822594 O\n0.482211 0.617638 0.322594 O\n0.982211 0.882362 0.677406 O\n0.861407 0.626610 0.731343 O\n0.361407 0.873390 0.268657 O\n0.138593 0.126610 0.768657 O\n0.638593 0.373390 0.231343 O\n0.138593 0.373390 0.268657 O\n0.638593 0.126610 0.731343 O\n0.861407 0.873390 0.231343 O\n0.361407 0.626610 0.768657 O\n0.149874 0.709947 0.120293 O\n0.649874 0.790053 0.879707 O\n0.850126 0.209947 0.379707 O\n0.350126 0.290053 0.620293 O\n0.850126 0.290053 0.879707 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O\n0.729707 0.062079 0.103592 O\n0.482211 0.882362 0.822594 O\n",
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"elements": [
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],
"chemical_system": "Cd-O-Rb-Si",
"density": 3.0600316200514674,
"density_atomic": 0.059853626923983994,
"volume": 2673.1880459509175,
"volume_molar": 10.06144668166611,
"formula_full": "Rb16 Cd8 Si40 O96",
"formula_reduced": "Rb2CdSi5O12",
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"energy": -1186.93134307,
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"updated_at": "2021-11-28T01:38:26.026000Z",
"spacegroup": 61
},
{
"id": "mp-1247638",
"created_at": "2022-09-04T14:44:57.614662Z",
"structure_string": "Sr4 Ca28 Mn32 O96\n1.0\n10.850945 0.000815 -0.000488\n0.001142 15.203434 -0.001364\n-0.000482 -0.000963 10.720758\nSr Ca Mn O\n4 28 32 96\ndirect\n0.016604 0.124811 0.497289 Sr\n0.483395 0.375189 0.002711 Sr\n0.231989 0.375545 0.246542 Sr\n0.268011 0.124455 0.253457 Sr\n0.021910 0.124911 0.994573 Ca\n0.022680 0.625074 0.495369 Ca\n0.022570 0.625102 0.995588 Ca\n0.522356 0.124864 0.495884 Ca\n0.523262 0.124738 0.995212 Ca\n0.522745 0.625138 0.495487 Ca\n0.522623 0.625285 0.995795 Ca\n0.478089 0.375089 0.505428 Ca\n0.477319 0.874926 0.004631 Ca\n0.477429 0.874898 0.504412 Ca\n0.977644 0.375136 0.004115 Ca\n0.976738 0.375262 0.504788 Ca\n0.977255 0.874862 0.004513 Ca\n0.977377 0.874715 0.504205 Ca\n0.226764 0.375274 0.744290 Ca\n0.227116 0.874586 0.245640 Ca\n0.227157 0.874755 0.745456 Ca\n0.729150 0.374994 0.246686 Ca\n0.727851 0.374973 0.744968 Ca\n0.727641 0.875031 0.245691 Ca\n0.727412 0.875023 0.745446 Ca\n0.273236 0.124726 0.755709 Ca\n0.272883 0.625414 0.254359 Ca\n0.272842 0.625245 0.754545 Ca\n0.770850 0.125006 0.253314 Ca\n0.772149 0.125027 0.755031 Ca\n0.772359 0.624969 0.254309 Ca\n0.772588 0.624977 0.754555 Ca\n0.998183 0.998236 0.249134 Mn\n0.000096 0.999210 0.751792 Mn\n0.998939 0.500794 0.249863 Mn\n0.999857 0.500195 0.749950 Mn\n0.501061 0.999206 0.250137 Mn\n0.500143 0.999805 0.750050 Mn\n0.501817 0.501764 0.250866 Mn\n0.499904 0.500790 0.748208 Mn\n0.250212 0.999160 0.998274 Mn\n0.250827 0.998564 0.501379 Mn\n0.249173 0.501436 0.998621 Mn\n0.249788 0.500840 0.501726 Mn\n0.750009 0.999664 0.999679 Mn\n0.748370 0.999063 0.499623 Mn\n0.751630 0.500937 0.000377 Mn\n0.749991 0.500336 0.500321 Mn\n0.249538 0.249399 0.996949 Mn\n0.250462 0.250601 0.503051 Mn\n0.249904 0.750087 0.999869 Mn\n0.250096 0.749913 0.500131 Mn\n0.751544 0.249316 0.000181 Mn\n0.748456 0.250684 0.499819 Mn\n0.750109 0.750162 0.999865 Mn\n0.749891 0.749838 0.500135 Mn\n0.997424 0.251193 0.249190 Mn\n0.999925 0.250705 0.751681 Mn\n0.999776 0.749766 0.249841 Mn\n-0.000022 0.749907 0.750023 Mn\n0.502576 0.248807 0.250810 Mn\n0.500075 0.249295 0.748319 Mn\n0.500224 0.750234 0.250159 Mn\n0.500022 0.750093 0.749977 Mn\n0.101993 0.267426 0.101792 O\n0.104954 0.271716 0.606302 O\n0.103945 0.770454 0.102943 O\n0.103896 0.770305 0.603036 O\n0.610269 0.266165 0.108133 O\n0.604440 0.269678 0.602410 O\n0.603960 0.770387 0.102986 O\n0.603893 0.770380 0.603067 O\n0.398007 0.232573 0.398209 O\n0.395046 0.228283 0.893699 O\n0.396054 0.729545 0.397057 O\n0.396103 0.729694 0.896965 O\n0.889731 0.233834 0.391866 O\n0.895560 0.230321 0.897591 O\n0.896040 0.729612 0.397015 O\n0.896107 0.729619 0.896934 O\n0.141212 0.235127 0.358436 O\n0.145896 0.230152 0.851921 O\n0.146076 0.729731 0.353057 O\n0.146025 0.729640 0.852939 O\n0.645859 0.229532 0.354435 O\n0.645207 0.230262 0.853808 O\n0.646153 0.729545 0.353046 O\n0.646046 0.729556 0.852979 O\n0.358788 0.264872 0.141564 O\n0.354104 0.269847 0.648080 O\n0.353923 0.770268 0.146943 O\n0.353974 0.770359 0.647062 O\n0.854141 0.270467 0.145565 O\n0.854793 0.269737 0.646192 O\n0.853847 0.770454 0.146954 O\n0.853954 0.770443 0.647022 O\n0.357066 0.486794 0.143412 O\n0.353857 0.480699 0.647418 O\n0.355647 0.978108 0.145161 O\n0.354229 0.979108 0.647697 O\n0.854227 0.479820 0.146595 O\n0.854031 0.479610 0.646977 O\n0.853783 0.979276 0.145863 O\n0.854727 0.980216 0.646229 O\n0.142934 0.013205 0.356588 O\n0.146143 0.019300 0.852583 O\n0.144352 0.521891 0.354839 O\n0.145770 0.520891 0.852304 O\n0.645773 0.020179 0.353405 O\n0.645969 0.020389 0.853022 O\n0.646216 0.520723 0.354137 O\n0.645272 0.519783 0.853772 O\n0.398527 0.017939 0.398615 O\n0.396581 0.019981 0.896456 O\n0.395522 0.519883 0.396653 O\n0.394522 0.522065 0.894316 O\n0.890264 0.015650 0.391647 O\n0.895640 0.019602 0.897752 O\n0.895554 0.520820 0.397226 O\n0.896007 0.520457 0.896760 O\n0.101473 0.482060 0.101386 O\n0.103419 0.480018 0.603545 O\n0.104477 0.980116 0.103348 O\n0.105477 0.977934 0.605685 O\n0.609735 0.484349 0.108353 O\n0.604359 0.480397 0.602248 O\n0.604446 0.979179 0.102775 O\n0.603993 0.979542 0.603241 O\n0.001733 0.376158 0.288989 O\n0.009500 0.375268 0.789554 O\n0.009644 0.873816 0.288534 O\n0.009773 0.874742 0.789827 O\n0.509477 0.375307 0.287330 O\n0.510578 0.375009 0.779075 O\n0.510517 0.874717 0.289434 O\n0.510172 0.874986 0.789361 O\n0.498266 0.123842 0.211012 O\n0.490499 0.124732 0.710446 O\n0.490356 0.626184 0.211467 O\n0.490227 0.625258 0.710174 O\n0.990522 0.124693 0.212671 O\n0.989421 0.124991 0.720925 O\n0.989482 0.625283 0.210567 O\n0.989827 0.625014 0.710640 O\n0.238860 0.124261 0.029061 O\n0.247771 0.124845 0.538842 O\n0.239176 0.625833 0.038947 O\n0.240142 0.625181 0.539695 O\n0.740848 0.124363 0.038527 O\n0.741266 0.124905 0.538790 O\n0.740579 0.625651 0.038965 O\n0.739918 0.625097 0.539520 O\n0.261139 0.375739 0.470939 O\n0.252228 0.375155 0.961158 O\n0.260824 0.874167 0.461054 O\n0.259858 0.874819 0.960306 O\n0.759151 0.375637 0.461473 O\n0.758733 0.375095 0.961210 O\n0.759421 0.874349 0.461035 O\n0.760082 0.874903 0.960481 O\n",
"nsites": 160,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 4.47533177551881,
"density_atomic": 0.09046596942019645,
"volume": 1768.6208529621983,
"volume_molar": 6.656802329756014,
"formula_full": "Sr4 Ca28 Mn32 O96",
"formula_reduced": "SrCa7Mn8O24",
"formula_anonymous": "AB7C8D24",
"energy": -1227.50033635,
"energy_per_atom": -7.6718771021875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1108.17233635,
"band_gap": 0.3178000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 96.0000078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.448000Z",
"spacegroup": 2
},
{
"id": "mp-850535",
"created_at": "2022-09-04T14:45:30.612062Z",
"structure_string": "K8 Mn12 H40 S16 O84\n1.0\n10.034777 0.000000 0.012167\n0.000000 9.940899 0.000000\n-4.632137 0.000000 18.843330\nK Mn H S O\n8 12 40 16 84\ndirect\n0.290117 0.989940 0.760612 K\n0.137104 0.149177 0.380699 K\n0.362896 0.649177 0.619301 K\n0.209883 0.489940 0.239388 K\n0.790117 0.510060 0.760612 K\n0.637104 0.350823 0.380699 K\n0.862896 0.850823 0.619301 K\n0.709883 0.010060 0.239388 K\n0.195591 0.343659 0.820171 Mn\n0.058786 0.785776 0.442995 Mn\n0.033208 0.132750 0.161950 Mn\n0.466792 0.632750 0.838050 Mn\n0.441214 0.285776 0.557005 Mn\n0.304409 0.843659 0.179829 Mn\n0.695591 0.156341 0.820171 Mn\n0.558786 0.714224 0.442995 Mn\n0.533208 0.367250 0.161950 Mn\n0.966792 0.867250 0.838050 Mn\n0.941214 0.214224 0.557005 Mn\n0.804409 0.656341 0.179829 Mn\n0.078983 0.464727 0.919496 H\n0.055042 0.425636 0.645987 H\n0.048009 0.673495 0.582515 H\n0.084056 0.364260 0.478107 H\n0.180298 0.353839 0.626432 H\n0.304899 0.516495 0.929553 H\n0.021119 0.652176 0.114014 H\n0.395384 0.825048 0.911200 H\n0.430659 0.422902 0.918710 H\n0.022532 0.239510 0.026082 H\n0.477468 0.739510 0.973918 H\n0.069341 0.922902 0.081290 H\n0.104616 0.325048 0.088800 H\n0.478881 0.152176 0.885986 H\n0.578983 0.035273 0.919496 H\n0.195101 0.016495 0.070447 H\n0.319702 0.853839 0.373568 H\n0.415944 0.864260 0.521893 H\n0.555042 0.074364 0.645987 H\n0.451991 0.173495 0.417485 H\n0.548009 0.826505 0.582515 H\n0.444958 0.925636 0.354013 H\n0.584056 0.135740 0.478107 H\n0.680298 0.146161 0.626432 H\n0.804899 0.983505 0.929553 H\n0.421017 0.964727 0.080504 H\n0.521119 0.847824 0.114014 H\n0.895384 0.674952 0.911200 H\n0.930659 0.077098 0.918710 H\n0.522532 0.260490 0.026082 H\n0.977468 0.760490 0.973918 H\n0.569341 0.577098 0.081290 H\n0.604616 0.174952 0.088800 H\n0.978881 0.347824 0.885986 H\n0.695101 0.483505 0.070447 H\n0.819702 0.646161 0.373568 H\n0.915944 0.635740 0.521893 H\n0.951991 0.326505 0.417485 H\n0.944958 0.574364 0.354013 H\n0.921017 0.535273 0.080504 H\n0.198837 0.086143 0.937019 S\n0.131082 0.658613 0.748973 S\n0.055417 0.858341 0.268866 S\n0.222344 0.023901 0.565554 S\n0.277656 0.523901 0.434446 S\n0.444583 0.358341 0.731134 S\n0.368918 0.158613 0.251027 S\n0.698837 0.413857 0.937019 S\n0.301163 0.586143 0.062981 S\n0.631082 0.841387 0.748973 S\n0.555417 0.641659 0.268866 S\n0.722344 0.476099 0.565554 S\n0.777656 0.976099 0.434446 S\n0.944583 0.141659 0.731134 S\n0.868918 0.341387 0.251027 S\n0.801163 0.913857 0.062981 S\n0.038201 0.418530 0.874376 O\n0.072026 0.153186 0.949120 O\n0.003799 0.704846 0.769544 O\n0.084794 0.199369 0.743982 O\n0.211449 0.546019 0.994063 O\n0.158996 0.964174 0.890975 O\n0.130194 0.507953 0.745764 O\n0.006562 0.301651 0.465016 O\n0.082640 0.376064 0.607771 O\n0.086675 0.046542 0.583537 O\n0.134223 0.713351 0.678184 O\n0.272539 0.181526 0.899076 O\n0.252361 0.708071 0.803522 O\n0.045457 0.005132 0.252366 O\n0.349955 0.479367 0.892849 O\n0.127812 0.844119 0.345382 O\n0.207551 0.918869 0.508127 O\n0.020274 0.273095 0.073767 O\n0.174454 0.477926 0.371890 O\n0.367037 0.286212 0.776269 O\n0.264774 0.151633 0.535907 O\n0.235226 0.651633 0.464093 O\n0.132963 0.786212 0.223731 O\n0.325546 0.977926 0.628110 O\n0.479726 0.773096 0.926233 O\n0.292449 0.418869 0.491873 O\n0.372188 0.344119 0.654618 O\n0.150044 0.979367 0.107151 O\n0.454543 0.505132 0.747634 O\n0.538201 0.081470 0.874376 O\n0.572026 0.346814 0.949120 O\n0.503799 0.795154 0.769544 O\n0.247639 0.208071 0.196478 O\n0.227461 0.681526 0.100924 O\n0.365777 0.213351 0.321816 O\n0.413325 0.546542 0.416463 O\n0.417360 0.876064 0.392229 O\n0.584794 0.300631 0.743982 O\n0.711449 0.953981 0.994063 O\n0.658996 0.535826 0.890975 O\n0.493438 0.801651 0.534984 O\n0.369806 0.007953 0.254236 O\n0.630194 0.992047 0.745764 O\n0.506562 0.198349 0.465016 O\n0.341004 0.464174 0.109025 O\n0.288551 0.046019 0.005937 O\n0.415206 0.699369 0.256018 O\n0.582640 0.123936 0.607771 O\n0.586675 0.453458 0.583537 O\n0.634223 0.786649 0.678184 O\n0.772539 0.318474 0.899076 O\n0.752361 0.791929 0.803522 O\n0.496201 0.204846 0.230456 O\n0.427974 0.653186 0.050880 O\n0.461799 0.918530 0.125624 O\n0.545457 0.494868 0.252366 O\n0.849955 0.020633 0.892849 O\n0.627812 0.655881 0.345382 O\n0.707551 0.581131 0.508127 O\n0.520274 0.226904 0.073767 O\n0.674454 0.022074 0.371890 O\n0.867037 0.213788 0.776269 O\n0.764774 0.348367 0.535907 O\n0.735226 0.848367 0.464093 O\n0.632963 0.713788 0.223731 O\n0.825546 0.522074 0.628110 O\n0.979726 0.726904 0.926233 O\n0.792449 0.081131 0.491873 O\n0.872188 0.155881 0.654618 O\n0.650045 0.520633 0.107151 O\n0.954543 0.994868 0.747634 O\n0.747639 0.291929 0.196478 O\n0.727461 0.818474 0.100924 O\n0.865777 0.286649 0.321816 O\n0.913325 0.953458 0.416463 O\n0.917360 0.623936 0.392229 O\n0.993438 0.698349 0.534984 O\n0.869806 0.492047 0.254236 O\n0.841004 0.035826 0.109025 O\n0.788551 0.453981 0.005937 O\n0.915206 0.800631 0.256018 O\n0.996201 0.295154 0.230456 O\n0.927974 0.846814 0.050880 O\n0.961799 0.581470 0.125624 O\n",
"nsites": 160,
"nelements": 5,
"elements": [
"K",
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-K-Mn-O-S",
"density": 2.5340324882819414,
"density_atomic": 0.08509411313668697,
"volume": 1880.2710798923476,
"volume_molar": 7.077035693793078,
"formula_full": "K8 Mn12 H40 S16 O84",
"formula_reduced": "K2Mn3H10S4O21",
"formula_anonymous": "A2B3C4D10E21",
"energy": -1023.49325121,
"energy_per_atom": -6.3968328200625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -945.76925121,
"band_gap": 2.2189,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.0000557,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.333000Z",
"spacegroup": 14
},
{
"id": "mp-28634",
"created_at": "2022-09-04T14:40:21.363334Z",
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"elements": [
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"updated_at": "2021-11-28T01:34:51.031000Z",
"spacegroup": 14
},
{
"id": "mp-600242",
"created_at": "2022-09-04T14:48:24.299541Z",
"structure_string": "In4 H96 C24 Br24 N12\n1.0\n9.012571 -14.823286 0.000000\n9.012571 14.823286 0.000000\n-15.367798 0.000000 8.049040\nIn H C Br N\n4 96 24 24 12\ndirect\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.326053 0.095269 0.563013 H\n0.943586 0.115568 0.476755 H\n0.548958 0.615191 0.326221 H\n0.239483 0.648686 0.017869 H\n0.673101 0.959744 0.877194 H\n0.402105 0.690242 0.569587 H\n0.482116 0.668074 0.542504 H\n0.935660 0.756920 0.716648 H\n0.587532 0.980996 0.801483 H\n0.716648 0.935660 0.756920 H\n0.648686 0.017869 0.239483 H\n0.523245 0.056414 0.884432 H\n0.309758 0.430413 0.597895 H\n0.945840 0.031405 0.554014 H\n0.017869 0.239483 0.648686 H\n0.673779 0.451042 0.384809 H\n0.625203 0.944125 0.679592 H\n0.031405 0.554014 0.945840 H\n0.200103 0.069524 0.448265 H\n0.884432 0.523245 0.056414 H\n0.615191 0.326221 0.548958 H\n0.954592 0.800822 0.133368 H\n0.055875 0.320408 0.374797 H\n0.930476 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Br\n0.194290 0.783263 0.805520 Br\n0.263776 0.173826 0.111373 Br\n0.423036 0.598547 0.057553 Br\n0.805520 0.194290 0.783263 Br\n0.057553 0.423036 0.598547 Br\n0.598547 0.057553 0.423036 Br\n0.111373 0.263776 0.173826 Br\n0.805710 0.216737 0.194480 Br\n0.194480 0.805710 0.216737 Br\n0.888627 0.736224 0.826174 Br\n0.736224 0.826174 0.888627 Br\n0.783263 0.805520 0.194290 Br\n0.942447 0.576964 0.401453 Br\n0.637455 0.276821 0.685450 Br\n0.362545 0.723179 0.314550 Br\n0.685450 0.637455 0.276821 Br\n0.401453 0.942447 0.576964 Br\n0.216737 0.194480 0.805710 Br\n0.723179 0.314550 0.362545 Br\n0.826174 0.888627 0.736224 Br\n0.276821 0.685450 0.637455 Br\n0.711434 0.626347 0.906204 N\n0.512949 0.148975 0.004219 N\n0.906204 0.711434 0.626347 N\n0.851025 0.995781 0.487051 N\n0.487051 0.851025 0.995781 N\n0.995781 0.487051 0.851025 N\n0.373653 0.093796 0.288566 N\n0.626347 0.906204 0.711434 N\n0.288566 0.373653 0.093796 N\n0.093796 0.288566 0.373653 N\n0.004219 0.512949 0.148975 N\n0.148975 0.004219 0.512949 N\n",
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"formula_full": "In4 H96 C24 Br24 N12",
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{
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"updated_at": "2021-11-28T01:34:48.265000Z",
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},
{
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"updated_at": "2021-11-28T01:36:08.617000Z",
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}
]
}