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"results": [
{
"id": "mp-1202239",
"created_at": "2022-09-04T14:40:09.941659Z",
"structure_string": "Ba2 H12 C4 S2 N2 O10\n1.0\n6.964395 0.000000 0.000000\n-2.692301 -6.446618 0.000000\n-3.064366 0.439040 -9.653712\nBa H C S N O\n2 12 4 2 2 10\ndirect\n0.805747 0.692173 0.497714 Ba\n0.194253 0.307827 0.502286 Ba\n0.590109 0.643561 0.777192 H\n0.409891 0.356439 0.222808 H\n0.667776 0.454532 0.797027 H\n0.332224 0.545468 0.202973 H\n0.935085 0.951005 0.201502 H\n0.064915 0.048995 0.798498 H\n0.754159 0.023872 0.213708 H\n0.245841 0.976128 0.786292 H\n0.750166 0.347177 0.256856 H\n0.249834 0.652823 0.743144 H\n0.952374 0.543641 0.240595 H\n0.047626 0.456359 0.759405 H\n0.605462 0.100833 0.508901 C\n0.394538 0.899167 0.491099 C\n0.665004 0.021528 0.868247 C\n0.334996 0.978472 0.131753 C\n0.877390 0.234698 0.927631 S\n0.122610 0.765302 0.072369 S\n0.510255 0.865655 0.826684 N\n0.489745 0.134345 0.173316 N\n0.586812 0.272627 0.515736 O\n0.413188 0.727373 0.484264 O\n0.779324 0.077207 0.515281 O\n0.220676 0.922793 0.484719 O\n0.603935 0.535909 0.727256 O\n0.396065 0.464091 0.272744 O\n0.871893 0.980015 0.267994 O\n0.128107 0.019985 0.732006 O\n0.887625 0.458886 0.309595 O\n0.112375 0.541114 0.690405 O\n",
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"elements": [
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],
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"density": 2.2486680598091566,
"density_atomic": 0.07383126481698124,
"volume": 433.4207206029061,
"volume_molar": 8.156626836785414,
"formula_full": "Ba2 H12 C4 S2 N2 O10",
"formula_reduced": "BaH6C2SNO5",
"formula_anonymous": "ABCD2E5F6",
"energy": -199.16883954,
"energy_per_atom": -6.224026235625,
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"band_gap": 3.5841000000000003,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.234000Z",
"spacegroup": 2
},
{
"id": "mp-1307235",
"created_at": "2022-09-04T14:39:58.863782Z",
"structure_string": "Ca4 Mn4 Zn4 As8 H12 O40\n1.0\n4.071979 3.219914 -2.042509\n12.082437 -15.969443 1.219916\n0.004379 -0.032974 -7.465579\nCa Mn Zn As H O\n4 4 4 8 12 40\ndirect\n0.250555 0.250260 0.251118 Ca\n0.500636 0.500292 0.501684 Ca\n0.753162 0.749537 0.747030 Ca\n0.002423 0.999577 0.996712 Ca\n0.004556 0.500537 0.002921 Mn\n0.255825 0.749167 0.247978 Mn\n0.755745 0.250402 0.753763 Mn\n0.506815 0.999082 0.498441 Mn\n0.128056 0.127643 0.630894 Zn\n0.376474 0.378562 0.887773 Zn\n0.628957 0.627677 0.131891 Zn\n0.880455 0.876847 0.374899 Zn\n0.734553 0.147283 0.347784 As\n0.978376 0.399654 0.607457 As\n0.228764 0.648933 0.854529 As\n0.484537 0.896567 0.095168 As\n0.519729 0.102847 0.902628 As\n0.769908 0.353759 0.154876 As\n0.026683 0.601462 0.395383 As\n0.277480 0.850447 0.642409 As\n0.261351 0.049594 0.302307 H\n0.511658 0.300311 0.553765 H\n0.757832 0.549072 0.804730 H\n0.008091 0.798209 0.052739 H\n0.994170 0.203189 0.938450 H\n0.246227 0.455327 0.189629 H\n0.496947 0.704445 0.437025 H\n0.744561 0.952468 0.686052 H\n0.038271 0.006133 0.484606 H\n0.288947 0.257221 0.736463 H\n0.535159 0.507179 0.987583 H\n0.785162 0.756030 0.235166 H\n0.421549 0.171358 0.407418 O\n0.665594 0.422312 0.661732 O\n0.916669 0.672606 0.910159 O\n0.172202 0.921614 0.155872 O\n0.740365 0.059909 0.309708 O\n0.991890 0.312452 0.570111 O\n0.241096 0.562019 0.817191 O\n0.489473 0.809518 0.057371 O\n0.831855 0.078504 0.842067 O\n0.081193 0.328340 0.093402 O\n0.337786 0.577364 0.339738 O\n0.589474 0.827511 0.587950 O\n0.512612 0.190233 0.938810 O\n0.762329 0.440815 0.190462 O\n0.011400 0.688377 0.430856 O\n0.262310 0.937702 0.678520 O\n0.857050 0.171238 0.525955 O\n0.098185 0.425760 0.788901 O\n0.348203 0.674080 0.036880 O\n0.606569 0.919707 0.274195 O\n0.391171 0.078209 0.727690 O\n0.642000 0.329622 0.979170 O\n0.903916 0.575524 0.214938 O\n0.153732 0.823885 0.463001 O\n0.943598 0.185025 0.153220 O\n0.191357 0.435640 0.412167 O\n0.440040 0.686138 0.660715 O\n0.692014 0.935433 0.902083 O\n0.310153 0.065258 0.098428 O\n0.561925 0.315017 0.349221 O\n0.814342 0.564387 0.590097 O\n0.063536 0.814595 0.838619 O\n0.208262 0.036083 0.444681 O\n0.458457 0.287071 0.696502 O\n0.706678 0.536991 0.945686 O\n0.957056 0.785865 0.193325 O\n0.048211 0.216289 0.799394 O\n0.296972 0.466861 0.051081 O\n0.547858 0.715685 0.298142 O\n0.798852 0.965304 0.546691 O\n",
"nsites": 72,
"nelements": 6,
"elements": [
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"Mn",
"Zn",
"As",
"H",
"O"
],
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"density": 4.047109337882214,
"density_atomic": 0.09269250680783793,
"volume": 776.7618168884369,
"volume_molar": 6.496901386521545,
"formula_full": "Ca4 Mn4 Zn4 As8 H12 O40",
"formula_reduced": "CaMnZnAs2H3O10",
"formula_anonymous": "ABCD2E3F10",
"energy": -463.13172843,
"energy_per_atom": -6.432385117083333,
"energy_above_hull": null,
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"energy_uncorrected": -428.97972843,
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"updated_at": "2021-11-28T01:35:05.729000Z",
"spacegroup": 1
},
{
"id": "mp-1219593",
"created_at": "2022-09-04T14:39:59.121638Z",
"structure_string": "Rb1 Nd1 Ti1 Nb1 O6 F1\n1.0\n3.852741 0.000000 0.000000\n0.000000 3.852741 0.000000\n0.000000 0.000000 11.351298\nRb Nd Ti Nb O F\n1 1 1 1 6 1\ndirect\n0.500000 0.500000 0.510669 Rb\n0.500000 0.500000 0.975345 Nd\n0.000000 0.000000 0.790618 Ti\n0.000000 0.000000 0.208965 Nb\n0.000000 0.000000 0.640785 O\n0.000000 0.000000 0.367052 O\n0.500000 0.000000 0.844383 O\n0.000000 0.500000 0.844383 O\n0.500000 0.000000 0.158464 O\n0.000000 0.500000 0.158464 O\n0.000000 0.000000 0.000872 F\n",
"nsites": 11,
"nelements": 6,
"elements": [
"Rb",
"Nd",
"Ti",
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-Nd-O-Rb-Ti",
"density": 4.784466104929057,
"density_atomic": 0.06528411645345579,
"volume": 168.49427697841992,
"volume_molar": 9.224511392895204,
"formula_full": "Rb1 Nd1 Ti1 Nb1 O6 F1",
"formula_reduced": "RbNdTiNbO6F",
"formula_anonymous": "ABCDEF6",
"energy": -92.35610441,
"energy_per_atom": -8.396009491818182,
"energy_above_hull": null,
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"energy_uncorrected": -87.77210441,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.201000Z",
"spacegroup": 99
},
{
"id": "mp-766230",
"created_at": "2022-09-04T14:40:14.127167Z",
"structure_string": "Rb4 Na2 Zn4 H10 C8 O28\n1.0\n11.581022 0.000000 0.000000\n0.000000 5.247233 0.000000\n0.000000 4.868720 10.842193\nRb Na Zn H C O\n4 2 4 10 8 28\ndirect\n0.834166 0.042829 0.923888 Rb\n0.334166 0.957171 0.576112 Rb\n0.665834 0.042829 0.423888 Rb\n0.165834 0.957171 0.076112 Rb\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.600981 0.668055 0.797643 Zn\n0.100981 0.331945 0.702357 Zn\n0.899019 0.668055 0.297643 Zn\n0.399019 0.331945 0.202357 Zn\n0.000000 0.500000 0.000000 H\n0.299034 0.060122 0.818623 H\n0.328431 0.378728 0.773877 H\n0.828431 0.621272 0.726123 H\n0.799034 0.939878 0.681377 H\n0.500000 0.500000 0.500000 H\n0.200966 0.060122 0.318623 H\n0.171569 0.378728 0.273877 H\n0.671569 0.621272 0.226123 H\n0.700966 0.939878 0.181377 H\n0.376339 0.570072 0.934568 C\n0.071940 0.712238 0.819080 C\n0.571940 0.287762 0.680920 C\n0.876339 0.429928 0.565432 C\n0.123661 0.570072 0.434568 C\n0.428060 0.712238 0.319080 C\n0.928060 0.287762 0.180920 C\n0.623661 0.429928 0.065432 C\n0.615029 0.666723 0.966997 O\n0.337600 0.789539 0.943676 O\n0.040696 0.477870 0.910422 O\n0.409709 0.572794 0.829047 O\n0.064001 0.944471 0.832015 O\n0.609756 0.298309 0.781094 O\n0.780995 0.751005 0.749871 O\n0.280995 0.248995 0.750129 O\n0.109756 0.701691 0.718906 O\n0.909709 0.427206 0.670953 O\n0.564001 0.055529 0.667985 O\n0.540696 0.522130 0.589578 O\n0.837600 0.210461 0.556324 O\n0.115029 0.333277 0.533003 O\n0.884971 0.666723 0.466997 O\n0.162400 0.789539 0.443676 O\n0.459304 0.477870 0.410422 O\n0.435999 0.944471 0.332015 O\n0.090291 0.572794 0.329047 O\n0.890244 0.298309 0.281094 O\n0.719005 0.751005 0.249871 O\n0.219005 0.248995 0.250129 O\n0.390244 0.701691 0.218906 O\n0.935999 0.055529 0.167985 O\n0.590291 0.427206 0.170953 O\n0.959304 0.522130 0.089578 O\n0.662400 0.210461 0.056324 O\n0.384971 0.333277 0.033003 O\n",
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"elements": [
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],
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"density": 3.033538517050789,
"density_atomic": 0.0849950546308427,
"volume": 658.8618625309869,
"volume_molar": 7.08528370992388,
"formula_full": "Rb4 Na2 Zn4 H10 C8 O28",
"formula_reduced": "Rb2NaZn2H5(C2O7)2",
"formula_anonymous": "AB2C2D4E5F14",
"energy": -358.55690706,
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"updated_at": "2021-11-28T01:34:51.175000Z",
"spacegroup": 14
},
{
"id": "mp-730258",
"created_at": "2022-09-04T14:39:12.461859Z",
"structure_string": "Cs4 Hg2 C4 S2 I8 O2\n1.0\n8.597052 0.000000 0.000000\n2.355096 9.707393 0.000000\n3.334720 0.880604 11.214884\nCs Hg C S I O\n4 2 4 2 8 2\ndirect\n0.830186 0.325468 0.083947 Cs\n0.169814 0.674532 0.916053 Cs\n0.263721 0.716925 0.389170 Cs\n0.736279 0.283075 0.610830 Cs\n0.280374 0.285104 0.232930 Hg\n0.719626 0.714896 0.767070 Hg\n0.292594 0.035132 0.772064 C\n0.707406 0.964868 0.227936 C\n0.450088 0.992609 0.742424 C\n0.549912 0.007391 0.257576 C\n0.101522 0.113267 0.778323 S\n0.898478 0.886733 0.221677 S\n0.053490 0.107693 0.333403 I\n0.946510 0.892307 0.666597 I\n0.982154 0.542756 0.273884 I\n0.017846 0.457244 0.726116 I\n0.414567 0.305250 0.986353 I\n0.585433 0.694750 0.013647 I\n0.472158 0.330467 0.377622 I\n0.527842 0.669533 0.622378 I\n0.995246 0.117956 0.902397 O\n0.004754 0.882044 0.097603 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "C-Cs-Hg-I-O-S",
"density": 3.7119938371992975,
"density_atomic": 0.023505837481209393,
"volume": 935.9377226013256,
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"formula_full": "Cs4 Hg2 C4 S2 I8 O2",
"formula_reduced": "Cs2HgC2SI4O",
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"energy": -82.30671199000001,
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},
{
"id": "mp-1210589",
"created_at": "2022-09-04T14:39:12.505023Z",
"structure_string": "Na2 Ca5 Ti1 Si4 O16 F2\n1.0\n5.775717 0.000000 0.000000\n-0.010849 7.453219 0.000000\n-2.001392 -1.904523 9.405601\nNa Ca Ti Si O F\n2 5 1 4 16 2\ndirect\n0.560288 0.588640 0.380634 Na\n0.062320 0.830331 0.384245 Na\n0.845939 0.422731 0.747923 Ca\n0.563440 0.091206 0.390680 Ca\n0.275942 0.241611 0.017528 Ca\n0.281180 0.739997 0.022039 Ca\n0.847455 0.923626 0.747131 Ca\n0.044767 0.342425 0.398619 Ti\n0.318827 0.684095 0.670741 Si\n0.815765 0.548059 0.108378 Si\n0.814896 0.979511 0.099151 Si\n0.311056 0.115469 0.663709 Si\n0.992112 0.477334 0.001329 O\n0.128873 0.186648 0.767144 O\n0.589060 0.171630 0.724323 O\n0.536204 0.000228 0.033384 O\n0.847363 0.775758 0.144518 O\n0.888074 0.118282 0.257265 O\n0.536193 0.491872 0.049218 O\n0.236203 0.164103 0.503775 O\n0.594878 0.670701 0.744477 O\n0.997147 0.993375 0.995438 O\n0.298916 0.279012 0.268598 O\n0.810822 0.352398 0.495219 O\n0.897947 0.501287 0.268777 O\n0.131573 0.667347 0.771831 O\n0.252444 0.545452 0.512777 O\n0.278141 0.887655 0.626044 O\n0.366328 0.822181 0.267071 F\n0.756649 0.874236 0.501935 F\n",
"nsites": 30,
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"elements": [
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"Si",
"O",
"F"
],
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"density": 2.8731722048268553,
"density_atomic": 0.0740943198078614,
"volume": 404.88933669672485,
"volume_molar": 8.127668592702367,
"formula_full": "Na2 Ca5 Ti1 Si4 O16 F2",
"formula_reduced": "Na2Ca5TiSi4(O8F)2",
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"energy": -222.55991356,
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"updated_at": "2021-11-28T01:34:38.570000Z",
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{
"id": "mp-1173558",
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"structure_string": "Na2 Mn4 Fe2 Ag2 P6 O24\n1.0\n6.429409 6.108726 0.000000\n-6.429409 6.108726 0.000000\n0.000000 2.722486 6.004251\nNa Mn Fe Ag P O\n2 4 2 2 6 24\ndirect\n0.500668 0.499548 0.251188 Na\n0.500452 0.499332 0.748812 Na\n0.265815 0.734185 0.500000 Mn\n0.730144 0.269856 0.000000 Mn\n0.374098 0.066154 0.612356 Mn\n0.933846 0.625902 0.387644 Mn\n0.618656 0.936063 0.883214 Fe\n0.063937 0.381344 0.116786 Fe\n0.989844 0.010156 0.500000 Ag\n0.014665 0.985335 0.000000 Ag\n0.714568 0.285432 0.500000 P\n0.288408 0.711592 0.000000 P\n0.651933 0.872958 0.379245 P\n0.127042 0.348067 0.620755 P\n0.349027 0.130055 0.119049 P\n0.869945 0.650973 0.880951 P\n0.603184 0.948996 0.570412 O\n0.051004 0.396816 0.429588 O\n0.408393 0.049496 0.933999 O\n0.950504 0.591607 0.066001 O\n0.549829 0.262892 0.473578 O\n0.737108 0.450171 0.526422 O\n0.464675 0.738253 0.997055 O\n0.261747 0.535325 0.002945 O\n0.258836 0.819232 0.788430 O\n0.180768 0.741164 0.211570 O\n0.736486 0.162895 0.714488 O\n0.837105 0.263514 0.285512 O\n0.319346 0.000664 0.348263 O\n0.999336 0.680654 0.651737 O\n0.658116 0.997182 0.149527 O\n0.002818 0.341884 0.850473 O\n0.273443 0.469481 0.568974 O\n0.530519 0.726557 0.431026 O\n0.727308 0.527172 0.924512 O\n0.472828 0.272692 0.075488 O\n0.163290 0.174562 0.645107 O\n0.825438 0.836710 0.354893 O\n0.811591 0.816721 0.881407 O\n0.183279 0.188409 0.118593 O\n",
"nsites": 40,
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"formula_full": "Na2 Mn4 Fe2 Ag2 P6 O24",
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},
{
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"id": "mp-1196509",
"created_at": "2022-09-04T14:39:12.933111Z",
"structure_string": "Cr4 P12 H64 C12 N4 O48\n1.0\n9.419616 0.000000 0.000000\n0.000000 16.412412 0.000000\n-4.491890 0.000000 8.963035\nCr P H C N O\n4 12 64 12 4 48\ndirect\n0.033869 0.290879 0.164776 Cr\n0.966131 0.790879 0.335224 Cr\n0.966131 0.709121 0.835224 Cr\n0.033869 0.209121 0.664776 Cr\n0.040123 0.121927 0.376601 P\n0.959877 0.621927 0.123399 P\n0.959877 0.878073 0.623399 P\n0.040123 0.378073 0.876601 P\n0.668939 0.217237 0.993542 P\n0.331061 0.717237 0.506458 P\n0.331061 0.782763 0.006458 P\n0.668939 0.282763 0.493542 P\n0.448656 0.035842 0.219326 P\n0.551344 0.535842 0.280674 P\n0.551344 0.964158 0.780674 P\n0.448656 0.464158 0.719326 P\n0.906367 0.074854 0.121982 H\n0.093633 0.574854 0.378018 H\n0.093633 0.925146 0.878018 H\n0.906367 0.425146 0.621982 H\n0.909543 0.998857 0.250040 H\n0.090457 0.498857 0.249960 H\n0.090457 0.001143 0.749960 H\n0.909543 0.501143 0.750040 H\n0.551843 0.174991 0.149882 H\n0.448157 0.674991 0.350118 H\n0.448157 0.825009 0.850118 H\n0.551843 0.325009 0.649882 H\n0.753580 0.201318 0.263084 H\n0.246420 0.701318 0.236916 H\n0.246420 0.798682 0.736916 H\n0.753580 0.298682 0.763084 H\n0.709072 0.975999 0.298240 H\n0.290928 0.475999 0.201760 H\n0.290928 0.024001 0.701760 H\n0.709072 0.524001 0.798240 H\n0.727660 0.068780 0.394942 H\n0.272340 0.568780 0.105058 H\n0.272340 0.931220 0.605058 H\n0.727660 0.431220 0.894942 H\n0.283830 0.177282 0.167178 H\n0.716170 0.677282 0.332822 H\n0.716170 0.822718 0.832822 H\n0.283830 0.322718 0.667178 H\n0.205666 0.224747 0.009541 H\n0.794334 0.724747 0.490459 H\n0.794334 0.775253 0.990459 H\n0.205666 0.275253 0.509541 H\n0.352402 0.334142 0.328110 H\n0.647598 0.834142 0.171890 H\n0.647598 0.665858 0.671890 H\n0.352402 0.165858 0.828110 H\n0.900878 0.343231 0.367957 H\n0.099122 0.843231 0.132043 H\n0.099122 0.656769 0.632043 H\n0.900878 0.156769 0.867957 H\n0.274516 0.388888 0.408257 H\n0.725484 0.888888 0.091743 H\n0.725484 0.611112 0.591743 H\n0.274516 0.111112 0.908257 H\n0.817944 0.401154 0.231796 H\n0.182056 0.901154 0.268204 H\n0.182056 0.598846 0.768204 H\n0.817944 0.098846 0.731796 H\n0.263749 0.084078 0.368785 H\n0.736251 0.584078 0.131215 H\n0.736251 0.915922 0.631215 H\n0.263749 0.415922 0.868785 H\n0.525956 0.335605 0.922836 H\n0.474044 0.835605 0.577164 H\n0.474044 0.664395 0.077164 H\n0.525956 0.164395 0.422836 H\n0.653983 0.049621 0.076244 H\n0.346017 0.549621 0.423756 H\n0.346017 0.950379 0.923756 H\n0.653983 0.450379 0.576244 H\n0.431419 0.902217 0.230562 H\n0.568581 0.402217 0.269438 H\n0.568581 0.097783 0.769438 H\n0.431419 0.597783 0.730562 H\n0.888738 0.063681 0.221418 C\n0.111262 0.563681 0.278582 C\n0.111262 0.936319 0.778582 C\n0.888738 0.436319 0.721418 C\n0.672687 0.169275 0.160964 C\n0.327313 0.669275 0.339036 C\n0.327313 0.830725 0.839036 C\n0.672687 0.330725 0.660964 C\n0.666107 0.039003 0.285994 C\n0.333893 0.539003 0.214006 C\n0.333893 0.960997 0.714006 C\n0.666107 0.460997 0.785994 C\n0.715618 0.080267 0.178965 N\n0.284382 0.580267 0.321035 N\n0.284382 0.919733 0.821035 N\n0.715618 0.419733 0.678965 N\n0.060979 0.205875 0.325766 O\n0.939021 0.705875 0.174234 O\n0.939021 0.794125 0.674234 O\n0.060979 0.294125 0.825766 O\n0.249473 0.347991 0.328257 O\n0.750527 0.847991 0.171743 O\n0.750527 0.652009 0.671743 O\n0.249473 0.152009 0.828257 O\n0.217667 0.224096 0.111541 O\n0.782333 0.724096 0.388459 O\n0.782333 0.775904 0.888459 O\n0.217667 0.275904 0.611541 O\n0.919558 0.374856 0.293862 O\n0.080442 0.874856 0.206138 O\n0.080442 0.625144 0.706138 O\n0.919558 0.125144 0.793862 O\n0.999667 0.380722 0.006904 O\n0.000333 0.880722 0.493096 O\n0.000333 0.619278 0.993096 O\n0.999667 0.119278 0.506904 O\n0.836465 0.220964 0.006105 O\n0.163535 0.720964 0.493895 O\n0.163535 0.779036 0.993895 O\n0.836465 0.279036 0.506105 O\n0.419608 0.953146 0.284282 O\n0.580392 0.453146 0.215718 O\n0.580392 0.046854 0.715718 O\n0.419608 0.546854 0.784282 O\n0.371186 0.036652 0.049790 O\n0.628814 0.536652 0.450210 O\n0.628814 0.963348 0.950210 O\n0.371186 0.463348 0.549790 O\n0.400633 0.104780 0.294632 O\n0.599367 0.604780 0.205368 O\n0.599367 0.895220 0.705368 O\n0.400633 0.395220 0.794632 O\n0.192537 0.066981 0.413624 O\n0.807463 0.566981 0.086376 O\n0.807463 0.933019 0.586376 O\n0.192537 0.433019 0.913624 O\n0.609683 0.304788 0.010889 O\n0.390317 0.804788 0.489111 O\n0.390317 0.695212 0.989111 O\n0.609683 0.195212 0.510889 O\n0.549093 0.171465 0.858009 O\n0.450907 0.671465 0.641991 O\n0.450907 0.828535 0.141991 O\n0.549093 0.328535 0.358009 O\n",
"nsites": 144,
"nelements": 6,
"elements": [
"Cr",
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Cr-H-N-O-P",
"density": 1.9321256026144933,
"density_atomic": 0.10392063470496522,
"volume": 1385.6728301248513,
"volume_molar": 5.794942243277377,
"formula_full": "Cr4 P12 H64 C12 N4 O48",
"formula_reduced": "CrP3H16C3NO12",
"formula_anonymous": "ABC3D3E12F16",
"energy": -889.2580915200001,
"energy_per_atom": -6.175403413333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -846.84209152,
"band_gap": 2.7993,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.2873742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.742000Z",
"spacegroup": 14
}
]
}