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{
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{
"id": "mp-1234616",
"created_at": "2022-09-04T14:43:10.735401Z",
"structure_string": "Mg1 Al2 Ga2 Cu4 As4 O20\n1.0\n-0.035471 0.009758 5.897376\n7.582783 -0.016353 -1.369636\n-0.019164 10.400989 0.015551\nMg Al Ga Cu As O\n1 2 2 4 4 20\ndirect\n0.643703 0.330633 0.066317 Mg\n0.436804 0.128272 0.320717 Al\n0.066300 0.857308 0.818958 Al\n0.569202 0.873435 0.682994 Ga\n0.943568 0.122189 0.184110 Ga\n0.874369 0.517056 0.368518 Cu\n0.592066 0.548627 0.845390 Cu\n0.112346 0.538686 0.644303 Cu\n0.327971 0.481749 0.173769 Cu\n0.591943 0.281539 0.606807 As\n0.921568 0.721393 0.100656 As\n0.431536 0.730075 0.400290 As\n0.100564 0.270574 0.887025 As\n0.644387 0.117575 0.709499 O\n0.850990 0.881373 0.200017 O\n0.374069 0.895047 0.300718 O\n0.135046 0.091068 0.798667 O\n0.846645 0.392320 0.538683 O\n0.675296 0.596099 0.032648 O\n0.172243 0.627960 0.466428 O\n0.356227 0.355610 0.966491 O\n0.694875 0.219814 0.237357 O\n0.775567 0.776645 0.780665 O\n0.271681 0.771645 0.727902 O\n0.233430 0.217006 0.229775 O\n0.453117 0.426594 0.688702 O\n0.022727 0.563867 0.190354 O\n0.550768 0.574666 0.314499 O\n0.990738 0.432263 0.812142 O\n0.417798 0.183135 0.484659 O\n0.113046 0.818655 0.986801 O\n0.633238 0.822127 0.511982 O\n0.894922 0.201067 0.009661 O\n",
"nsites": 33,
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"elements": [
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"Al",
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"As",
"O"
],
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"density": 3.9013437888495677,
"density_atomic": 0.07102749329972377,
"volume": 464.6088221182985,
"volume_molar": 8.47860522767938,
"formula_full": "Mg1 Al2 Ga2 Cu4 As4 O20",
"formula_reduced": "MgAl2Ga2Cu4(AsO5)4",
"formula_anonymous": "AB2C2D4E4F20",
"energy": -211.66003874,
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"band_gap": 0.0176999999999996,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.767000Z",
"spacegroup": 1
},
{
"id": "mp-772414",
"created_at": "2022-09-04T14:43:11.301751Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.784662 0.000000 0.000000\n-0.120072 8.862248 0.000000\n-0.033357 -0.143716 10.247530\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.241299 0.916706 0.879230 Na\n0.244277 0.917046 0.378355 Na\n0.998812 0.744562 0.623958 Na\n0.499887 0.743186 0.622832 Na\n0.501054 0.744848 0.125917 Na\n0.501102 0.254797 0.875100 Na\n0.502002 0.255638 0.377271 Na\n0.998744 0.254017 0.376381 Na\n0.026298 0.725044 0.115960 Li\n0.977394 0.271655 0.883370 Li\n0.760158 0.091885 0.628049 Li\n0.764997 0.088632 0.125437 Li\n0.751892 0.640112 0.889931 Mn\n0.752123 0.636951 0.387197 Mn\n0.247379 0.358048 0.613018 Mn\n0.246467 0.356161 0.110125 Mn\n0.244766 0.585613 0.854813 P\n0.246118 0.590715 0.351117 P\n0.753172 0.403547 0.649797 P\n0.753335 0.408707 0.145587 P\n0.759029 0.956043 0.867362 C\n0.751246 0.948212 0.363490 C\n0.249162 0.058226 0.634193 C\n0.240112 0.051901 0.131761 C\n0.253315 0.913342 0.645028 O\n0.225864 0.906523 0.140589 O\n0.747915 0.916686 0.989113 O\n0.752696 0.913535 0.487139 O\n0.752435 0.852084 0.775127 O\n0.755117 0.842690 0.273819 O\n0.068591 0.683453 0.902225 O\n0.435427 0.670984 0.899965 O\n0.067412 0.681696 0.401507 O\n0.434764 0.684086 0.387628 O\n0.243704 0.574015 0.702512 O\n0.747435 0.563625 0.589507 O\n0.230811 0.575445 0.198374 O\n0.769356 0.571536 0.090208 O\n0.230312 0.422397 0.908197 O\n0.769121 0.423297 0.801824 O\n0.252665 0.430048 0.409030 O\n0.756156 0.423868 0.297491 O\n0.566038 0.307970 0.614637 O\n0.929410 0.308198 0.600973 O\n0.562695 0.323099 0.102086 O\n0.926360 0.306253 0.099501 O\n0.246224 0.145165 0.737418 O\n0.245339 0.137534 0.236548 O\n0.247411 0.119728 0.519100 O\n0.249931 0.116595 0.018634 O\n0.776248 0.096322 0.834440 O\n0.746422 0.087573 0.327125 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8333963203120023,
"density_atomic": 0.08439408897541516,
"volume": 616.1568971394207,
"volume_molar": 7.135737624650832,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.50562012,
"energy_per_atom": -7.221261925384615,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.105000Z",
"spacegroup": 1
},
{
"id": "mp-1214747",
"created_at": "2022-09-04T14:43:07.390326Z",
"structure_string": "Ba2 Ca2 Nd1 Ti2 Cu2 O12\n1.0\n-1.974334 1.974334 17.830569\n1.974334 -1.974334 17.830569\n1.974334 1.974334 -17.830569\nBa Ca Nd Ti Cu O\n2 2 1 2 2 12\ndirect\n0.392313 0.392313 0.000000 Ba\n0.607687 0.607687 0.000000 Ba\n0.286250 0.286250 0.000000 Ca\n0.713750 0.713750 0.000000 Ca\n0.500000 0.500000 0.000000 Nd\n0.168677 0.168677 0.000000 Ti\n0.831323 0.831323 0.000000 Ti\n0.052406 0.052406 0.000000 Cu\n0.947594 0.947594 0.000000 Cu\n0.222647 0.222647 0.000000 O\n0.777353 0.777353 0.000000 O\n0.111149 0.111149 0.000000 O\n0.888851 0.888851 0.000000 O\n0.542158 0.042158 0.500000 O\n0.457842 0.957842 0.500000 O\n0.042158 0.542158 0.500000 O\n0.957842 0.457842 0.500000 O\n0.668451 0.168451 0.500000 O\n0.331549 0.831549 0.500000 O\n0.168451 0.668451 0.500000 O\n0.831549 0.331549 0.500000 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
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"Ca",
"Nd",
"Ti",
"Cu",
"O"
],
"chemical_system": "Ba-Ca-Cu-Nd-O-Ti",
"density": 5.458426360083527,
"density_atomic": 0.07553580325330661,
"volume": 278.0138569464503,
"volume_molar": 7.972564665533465,
"formula_full": "Ba2 Ca2 Nd1 Ti2 Cu2 O12",
"formula_reduced": "Ba2Ca2NdTi2(CuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -157.47296191,
"energy_per_atom": -7.498712471904763,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.372000Z",
"spacegroup": 139
},
{
"id": "mp-1227427",
"created_at": "2022-09-04T14:43:09.472284Z",
"structure_string": "Ca6 Mg2 Zn1 P6 H12 O30\n1.0\n-0.005910 0.008085 5.530869\n13.924061 6.277794 -0.912149\n-2.457223 6.390773 -0.871673\nCa Mg Zn P H O\n6 2 1 6 12 30\ndirect\n0.116156 0.234027 0.006402 Ca\n0.783038 0.567660 0.673396 Ca\n0.450446 0.900616 0.338459 Ca\n0.549554 0.099384 0.661541 Ca\n0.216962 0.432340 0.326604 Ca\n0.883844 0.765973 0.993598 Ca\n0.666689 0.333389 0.666608 Mg\n0.333311 0.666611 0.333392 Mg\n0.000000 0.000000 0.000000 Zn\n0.114115 0.221132 0.535938 P\n0.781023 0.554509 0.202600 P\n0.446552 0.887120 0.868895 P\n0.553448 0.112880 0.131105 P\n0.218977 0.445491 0.797400 P\n0.885885 0.778868 0.464062 P\n0.566571 0.291337 0.312944 H\n0.233334 0.624651 0.979480 H\n0.901260 0.957465 0.646885 H\n0.098740 0.042535 0.353115 H\n0.766666 0.375349 0.020520 H\n0.433429 0.708663 0.687056 H\n0.024983 0.057495 0.630558 H\n0.689507 0.390717 0.295926 H\n0.356224 0.723850 0.962508 H\n0.643776 0.276150 0.037492 H\n0.310493 0.609283 0.704074 H\n0.975017 0.942505 0.369442 H\n0.149621 0.123640 0.493860 O\n0.816767 0.457280 0.159920 O\n0.484350 0.790280 0.824600 O\n0.515650 0.209720 0.175400 O\n0.183233 0.542720 0.840080 O\n0.850379 0.876360 0.506140 O\n0.087299 0.279292 0.346082 O\n0.754160 0.612895 0.012965 O\n0.420620 0.946271 0.680672 O\n0.579380 0.053729 0.319328 O\n0.245840 0.387105 0.987035 O\n0.912701 0.720708 0.653918 O\n0.912448 0.016256 0.706044 O\n0.581246 0.349551 0.374300 O\n0.247963 0.682829 0.040819 O\n0.752037 0.317171 0.959181 O\n0.418754 0.650449 0.625700 O\n0.087552 0.983744 0.293956 O\n0.347802 0.247085 0.678990 O\n0.014538 0.580462 0.346050 O\n0.676930 0.912444 0.016468 O\n0.323070 0.087556 0.983532 O\n0.985462 0.419538 0.653949 O\n0.652198 0.752915 0.321010 O\n0.886861 0.222788 0.651056 O\n0.553661 0.556160 0.317804 O\n0.218652 0.886769 0.984331 O\n0.781348 0.113231 0.015669 O\n0.446339 0.443841 0.682196 O\n0.113139 0.777212 0.348944 O\n",
"nsites": 57,
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"elements": [
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"Mg",
"Zn",
"P",
"H",
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],
"chemical_system": "Ca-H-Mg-O-P-Zn",
"density": 2.9680597172250556,
"density_atomic": 0.0986841749691664,
"volume": 577.6002081165444,
"volume_molar": 6.1024381689177645,
"formula_full": "Ca6 Mg2 Zn1 P6 H12 O30",
"formula_reduced": "Ca6Mg2ZnP6(H2O5)6",
"formula_anonymous": "AB2C6D6E12F30",
"energy": -384.49791679,
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"updated_at": "2021-11-28T01:36:11.591000Z",
"spacegroup": 2
},
{
"id": "mp-1204766",
"created_at": "2022-09-04T14:43:16.764353Z",
"structure_string": "Ca2 Mg4 Mn2 Fe4 P8 O52\n1.0\n6.914031 0.000000 0.000000\n0.000000 10.313359 0.000000\n0.000000 5.026936 13.748426\nCa Mg Mn Fe P O\n2 4 2 4 8 52\ndirect\n0.025116 0.000000 0.250000 Ca\n0.974884 0.000000 0.750000 Ca\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.507140 0.500000 0.250000 Mg\n0.492860 0.500000 0.750000 Mg\n0.525425 0.000000 0.250000 Mn\n0.474575 0.000000 0.750000 Mn\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.722822 0.186637 0.301201 P\n0.722822 0.813363 0.198799 P\n0.277178 0.813363 0.698799 P\n0.277178 0.186637 0.801201 P\n0.256715 0.800166 0.423232 P\n0.256715 0.199834 0.076768 P\n0.743285 0.199834 0.576768 P\n0.743285 0.800166 0.923232 P\n0.728119 0.139253 0.207453 O\n0.728119 0.860747 0.292547 O\n0.271881 0.860747 0.792547 O\n0.271881 0.139253 0.707453 O\n0.673796 0.335162 0.278838 O\n0.673796 0.664838 0.221162 O\n0.326204 0.664838 0.721162 O\n0.326204 0.335162 0.778838 O\n0.912971 0.137254 0.356159 O\n0.912971 0.862746 0.143841 O\n0.087029 0.862746 0.643841 O\n0.087029 0.137254 0.856159 O\n0.548622 0.081603 0.351133 O\n0.548622 0.918397 0.148867 O\n0.451378 0.918397 0.648867 O\n0.451378 0.081603 0.851133 O\n0.323234 0.870729 0.312799 O\n0.323234 0.129271 0.187201 O\n0.676766 0.129271 0.687201 O\n0.676766 0.870729 0.812799 O\n0.206978 0.650340 0.444651 O\n0.206978 0.349660 0.055349 O\n0.793022 0.349660 0.555349 O\n0.793022 0.650340 0.944651 O\n0.064338 0.880184 0.425851 O\n0.064338 0.119816 0.074149 O\n0.935662 0.119816 0.574149 O\n0.935662 0.880184 0.925851 O\n0.411741 0.824594 0.491223 O\n0.411741 0.175406 0.008777 O\n0.588259 0.175406 0.508777 O\n0.588259 0.824594 0.991223 O\n0.249374 0.068750 0.480165 O\n0.249374 0.931250 0.019835 O\n0.750626 0.931250 0.519835 O\n0.750626 0.068750 0.980165 O\n0.240294 0.379486 0.297807 O\n0.240294 0.620514 0.202193 O\n0.759706 0.620514 0.702193 O\n0.759706 0.379486 0.797807 O\n0.763656 0.363211 0.003597 O\n0.763656 0.636789 0.496403 O\n0.236344 0.636789 0.996403 O\n0.236344 0.363211 0.503597 O\n0.939586 0.452521 0.872001 O\n0.939586 0.547479 0.627999 O\n0.060414 0.547479 0.127999 O\n0.060414 0.452521 0.372001 O\n0.407410 0.541131 0.103998 O\n0.407410 0.458869 0.396002 O\n0.592590 0.458869 0.896002 O\n0.592590 0.541131 0.603998 O\n",
"nsites": 72,
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"elements": [
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"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Ca-Fe-Mg-Mn-O-P",
"density": 2.693819948672888,
"density_atomic": 0.0734426025060444,
"volume": 980.3574157666095,
"volume_molar": 8.199792156744953,
"formula_full": "Ca2 Mg4 Mn2 Fe4 P8 O52",
"formula_reduced": "CaMg2MnFe2(P2O13)2",
"formula_anonymous": "ABC2D2E4F26",
"energy": -481.52803351,
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"updated_at": "2021-11-28T01:36:02.415000Z",
"spacegroup": 13
},
{
"id": "mp-684845",
"created_at": "2022-09-04T14:43:13.510137Z",
"structure_string": "Sr1 La9 Mg2 Ga6 Fe2 O28\n1.0\n5.584442 0.000000 0.000000\n-2.765641 4.873122 0.000000\n-2.503713 -1.771096 22.855157\nSr La Mg Ga Fe O\n1 9 2 6 2 28\ndirect\n0.091945 0.545595 0.157742 Sr\n0.659636 0.838122 0.044991 La\n0.922992 0.953361 0.355613 La\n0.513269 0.240271 0.254314 La\n0.701351 0.349316 0.548766 La\n0.321610 0.663360 0.448919 La\n0.505998 0.754149 0.749488 La\n0.106096 0.052182 0.649936 La\n0.304552 0.151089 0.948042 La\n0.896173 0.448255 0.844217 La\n0.184665 0.585643 0.304596 Mg\n0.018898 0.515221 0.991677 Mg\n0.004960 0.000669 0.502161 Ga\n0.615238 0.304516 0.400445 Ga\n0.802470 0.404872 0.697950 Ga\n0.404868 0.703029 0.600053 Ga\n0.596619 0.803876 0.899558 Ga\n0.205153 0.104563 0.798878 Ga\n0.344844 0.166563 0.104638 Fe\n0.797404 0.894941 0.201573 Fe\n0.533044 0.484045 0.170936 O\n0.266499 0.394152 0.046273 O\n0.474626 0.931011 0.357006 O\n0.534401 0.001035 0.151256 O\n0.085996 0.822692 0.250709 O\n0.263036 0.903290 0.035285 O\n0.345733 0.133252 0.459247 O\n0.993272 0.960690 0.127577 O\n0.212988 0.308963 0.563450 O\n0.338001 0.370487 0.351170 O\n0.892352 0.240754 0.454168 O\n0.965008 0.257902 0.245254 O\n0.159722 0.575932 0.662911 O\n0.867904 0.488717 0.345786 O\n0.988232 0.717332 0.760753 O\n0.128450 0.774434 0.551043 O\n0.676107 0.629982 0.649964 O\n0.785946 0.690630 0.441816 O\n0.953544 0.980705 0.864049 O\n0.648952 0.836440 0.537725 O\n0.741123 0.120098 0.964304 O\n0.936196 0.190406 0.750526 O\n0.470777 0.016382 0.844653 O\n0.616976 0.098798 0.635363 O\n0.448985 0.226933 0.734262 O\n0.721979 0.607350 0.958923 O\n0.434369 0.491995 0.834771 O\n0.234641 0.624797 0.926660 O\n",
"nsites": 48,
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"elements": [
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"Mg",
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"O"
],
"chemical_system": "Fe-Ga-La-Mg-O-Sr",
"density": 6.312436355804257,
"density_atomic": 0.07717381319902901,
"volume": 621.9726356686484,
"volume_molar": 7.803347418468328,
"formula_full": "Sr1 La9 Mg2 Ga6 Fe2 O28",
"formula_reduced": "SrLa9Mg2Ga6(FeO14)2",
"formula_anonymous": "AB2C2D6E9F28",
"energy": -367.69478004,
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"spacegroup": 1
},
{
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N\n0.602288 0.601130 0.899193 N\n0.125000 0.125000 0.125000 N\n0.875000 0.875000 0.875000 N\n0.224267 0.224267 0.827199 Cl\n0.827199 0.224267 0.224267 Cl\n0.224267 0.827199 0.224267 Cl\n0.224267 0.224267 0.224267 Cl\n0.775733 0.775733 0.172801 Cl\n0.172801 0.775733 0.775733 Cl\n0.775733 0.172801 0.775733 Cl\n0.775733 0.775733 0.775733 Cl\n0.850545 0.399455 0.850545 Cl\n0.399455 0.850545 0.399455 Cl\n0.399455 0.850545 0.850545 Cl\n0.850545 0.399455 0.399455 Cl\n0.850545 0.850545 0.399455 Cl\n0.399455 0.399455 0.850545 Cl\n0.149455 0.600545 0.149455 Cl\n0.600545 0.149455 0.600545 Cl\n0.600545 0.149455 0.149455 Cl\n0.149455 0.600545 0.600545 Cl\n0.149455 0.149455 0.600545 Cl\n0.600545 0.600545 0.149455 Cl\n0.625000 0.625000 0.625000 Cl\n0.375000 0.375000 0.375000 Cl\n0.398731 0.016674 0.929054 O\n0.929054 0.155541 0.398731 O\n0.155541 0.929054 0.016674 O\n0.016674 0.398731 0.155541 O\n0.016674 0.929054 0.398731 O\n0.155541 0.398731 0.929054 O\n0.929054 0.016674 0.155541 O\n0.398731 0.155541 0.016674 O\n0.929054 0.398731 0.016674 O\n0.398731 0.929054 0.155541 O\n0.016674 0.155541 0.929054 O\n0.155541 0.016674 0.398731 O\n0.601269 0.983326 0.070946 O\n0.070946 0.844459 0.601269 O\n0.844459 0.070946 0.983326 O\n0.983326 0.601269 0.844459 O\n0.983326 0.070946 0.601269 O\n0.844459 0.601269 0.070946 O\n0.070946 0.983326 0.844459 O\n0.601269 0.844459 0.983326 O\n0.070946 0.601269 0.983326 O\n0.601269 0.070946 0.844459 O\n0.983326 0.844459 0.070946 O\n0.844459 0.983326 0.601269 O\n",
"nsites": 208,
"nelements": 6,
"elements": [
"Cr",
"Ni",
"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-H-N-Ni-O",
"density": 1.5738193318445821,
"density_atomic": 0.09387943663216358,
"volume": 2215.607671517898,
"volume_molar": 6.4147602244310695,
"formula_full": "Cr4 Ni4 H128 N26 Cl22 O24",
"formula_reduced": "Cr2Ni2H64N13Cl11O12",
"formula_anonymous": "A2B2C11D12E13F64",
"energy": -1062.50436038,
"energy_per_atom": -5.108194040288462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1004.9623603799998,
"band_gap": 3.7261,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 19.9999988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.197000Z",
"spacegroup": 203
},
{
"id": "mp-43068",
"created_at": "2022-09-04T14:43:17.457117Z",
"structure_string": "Na6 Al6 Si6 Ag2 Br2 O24\n1.0\n6.394421 6.389517 0.000000\n-6.394421 6.389517 0.000000\n0.000000 0.001891 9.044048\nNa Al Si Ag Br O\n6 6 6 2 2 24\ndirect\n0.812110 0.309678 0.190570 Na\n0.688872 0.190422 0.689457 Na\n0.309678 0.812110 0.690570 Na\n0.689424 0.809697 0.309684 Na\n0.190422 0.688872 0.189457 Na\n0.809697 0.689424 0.809684 Na\n0.498535 0.499673 0.749716 Al\n0.001815 0.249952 0.501136 Al\n0.750022 0.999945 0.000076 Al\n0.249952 0.001815 0.001136 Al\n0.999945 0.750021 0.500076 Al\n0.499673 0.498535 0.249716 Al\n0.250033 0.500547 0.500563 Si\n0.500547 0.250033 0.000563 Si\n0.000068 0.999844 0.249681 Si\n0.999844 0.000068 0.749681 Si\n0.499527 0.749980 0.000352 Si\n0.749980 0.499527 0.500352 Si\n0.164993 0.335062 0.835934 Ag\n0.335062 0.164993 0.335934 Ag\n0.997030 0.502863 0.001157 Br\n0.502863 0.997030 0.501157 Br\n0.348109 0.443071 0.358810 O\n0.650790 0.443553 0.641640 O\n0.149557 0.361956 0.560500 O\n0.850320 0.359251 0.444463 O\n0.443071 0.348109 0.858810 O\n0.560682 0.352020 0.137729 O\n0.361956 0.149557 0.060500 O\n0.640906 0.150340 0.942794 O\n0.056623 0.141082 0.348851 O\n0.940874 0.137777 0.648081 O\n0.141082 0.056623 0.848851 O\n0.858201 0.056559 0.151567 O\n0.137777 0.940874 0.148081 O\n0.859327 0.943159 0.849616 O\n0.056559 0.858201 0.651567 O\n0.943159 0.859327 0.349616 O\n0.359251 0.850320 0.944463 O\n0.641472 0.848397 0.056207 O\n0.443553 0.650790 0.141640 O\n0.555311 0.650400 0.859384 O\n0.150340 0.640906 0.442794 O\n0.848397 0.641472 0.556207 O\n0.352020 0.560682 0.637729 O\n0.650400 0.555311 0.359384 O\n",
"nsites": 46,
"nelements": 6,
"elements": [
"Na",
"Al",
"Si",
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Al-Br-Na-O-Si",
"density": 2.75892360658298,
"density_atomic": 0.06224374591056596,
"volume": 739.0300716491975,
"volume_molar": 9.675093733357288,
"formula_full": "Na6 Al6 Si6 Ag2 Br2 O24",
"formula_reduced": "Na3Al3Si3AgBrO12",
"formula_anonymous": "ABC3D3E3F12",
"energy": -325.67048485,
"energy_per_atom": -7.079793148913043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.11448485,
"band_gap": 3.3353,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.698000Z",
"spacegroup": 9
}
]
}