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{
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{
"id": "mp-1247175",
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"structure_string": "Mg2 V2 Fe2 S8\n1.0\n6.200066 -0.002471 3.575651\n2.043508 5.759338 3.611694\n0.029676 0.065174 7.099836\nMg V Fe S\n2 2 2 8\ndirect\n0.874828 0.875290 0.875381 Mg\n0.125165 0.124720 0.124625 Mg\n0.499999 0.500026 0.999979 V\n0.500000 0.999971 0.500040 V\n0.500003 0.500003 0.499989 Fe\n0.000006 0.499993 0.500000 Fe\n0.752721 0.729800 0.729877 S\n0.259606 0.279674 0.700996 S\n0.259567 0.701038 0.279686 S\n0.712674 0.269963 0.269915 S\n0.740424 0.298970 0.720299 S\n0.287308 0.730029 0.730074 S\n0.247300 0.270188 0.270133 S\n0.740403 0.720329 0.299006 S\n",
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{
"id": "mp-1110971",
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"structure_string": "Cs2 Li1 Sb1 F6\n1.0\n0.000000 4.504811 4.504811\n4.504811 0.000000 4.504811\n4.504811 4.504811 0.000000\nCs Li Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.751709 0.248291 0.248291 F\n0.248291 0.248291 0.751709 F\n0.248291 0.751709 0.751709 F\n0.248291 0.751709 0.248291 F\n0.751709 0.248291 0.751709 F\n0.751709 0.751709 0.248291 F\n",
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"formula_full": "Cs2 Li1 Sb1 F6",
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},
{
"id": "mp-771523",
"created_at": "2022-09-04T14:43:08.437175Z",
"structure_string": "Li4 Cr8 O16\n1.0\n5.086746 2.935506 0.000000\n-5.086746 2.935506 0.000000\n0.000000 0.129895 9.514608\nLi Cr O\n4 8 16\ndirect\n0.335986 0.667870 0.896152 Li\n0.998474 0.998390 0.996393 Li\n0.998390 0.998474 0.496393 Li\n0.667870 0.335986 0.396152 Li\n0.664716 0.833501 0.210217 Cr\n0.328233 0.664454 0.483031 Cr\n0.170928 0.342061 0.214897 Cr\n0.169674 0.833620 0.210186 Cr\n0.833620 0.169674 0.710186 Cr\n0.664454 0.328233 0.983031 Cr\n0.833501 0.664716 0.710217 Cr\n0.342061 0.170928 0.714897 Cr\n0.669421 0.835301 0.607096 O\n0.486203 0.528404 0.338435 O\n0.337040 0.672213 0.102640 O\n0.997779 0.996736 0.311524 O\n0.996736 0.997779 0.811524 O\n0.154205 0.327937 0.604402 O\n0.478152 0.957645 0.335666 O\n0.041034 0.528701 0.338169 O\n0.826816 0.154802 0.105111 O\n0.154802 0.826816 0.605111 O\n0.957645 0.478152 0.835666 O\n0.528701 0.041034 0.838169 O\n0.672213 0.337040 0.602640 O\n0.835301 0.669421 0.107096 O\n0.528404 0.486203 0.838435 O\n0.327937 0.154205 0.104402 O\n",
"nsites": 28,
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"volume": 284.1475530442,
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"formula_full": "Li4 Cr8 O16",
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"updated_at": "2021-11-28T01:36:16.787000Z",
"spacegroup": 9
},
{
"id": "mp-778490",
"created_at": "2022-09-04T14:43:08.909439Z",
"structure_string": "Li6 Co4 Si4 O16\n1.0\n5.094940 0.000000 0.000000\n0.000000 6.611844 0.000000\n0.000000 0.225560 10.599892\nLi Co Si O\n6 4 4 16\ndirect\n0.567387 0.008303 0.413237 Li\n0.432613 0.008303 0.913237 Li\n0.562332 0.776425 0.171809 Li\n0.437668 0.776425 0.671809 Li\n0.066943 0.005013 0.085434 Li\n0.933057 0.005013 0.585434 Li\n0.551851 0.490556 0.401296 Co\n0.056148 0.501526 0.100304 Co\n0.448149 0.490556 0.901296 Co\n0.943852 0.501526 0.600304 Co\n0.572212 0.241763 0.159110 Si\n0.427788 0.241763 0.659110 Si\n0.058766 0.757568 0.343578 Si\n0.941234 0.757568 0.843578 Si\n0.461215 0.036346 0.098752 O\n0.538785 0.036346 0.598752 O\n0.895614 0.260636 0.136011 O\n0.500245 0.255380 0.308610 O\n0.104386 0.260636 0.636011 O\n0.499755 0.255380 0.808610 O\n0.448015 0.456376 0.088635 O\n0.551985 0.456376 0.588635 O\n0.933723 0.550874 0.417660 O\n0.066277 0.550874 0.917660 O\n0.964365 0.737466 0.190588 O\n0.384948 0.737593 0.343388 O\n0.035635 0.737466 0.690588 O\n0.615052 0.737593 0.843388 O\n0.947125 0.953933 0.408606 O\n0.052875 0.953933 0.908606 O\n",
"nsites": 30,
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"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.002785367154043,
"density_atomic": 0.08401525350383011,
"volume": 357.07801558478127,
"volume_molar": 7.167913573843423,
"formula_full": "Li6 Co4 Si4 O16",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -211.35532465,
"energy_per_atom": -7.045177488333334,
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"updated_at": "2021-11-28T01:36:04.984000Z",
"spacegroup": 7
},
{
"id": "mp-532110",
"created_at": "2022-09-04T14:43:08.913853Z",
"structure_string": "Ti10 Fe14 O36\n1.0\n5.594008 0.000000 0.000000\n0.883854 9.145310 0.000000\n0.635038 0.390432 12.745856\nTi Fe O\n10 14 36\ndirect\n0.706115 0.241723 0.115747 Ti\n0.289073 0.762512 0.384500 Ti\n0.702472 0.568514 0.291571 Ti\n0.793053 0.932481 0.715134 Ti\n0.220216 0.067336 0.281727 Ti\n0.209275 0.734763 0.618887 Ti\n0.295656 0.427972 0.715115 Ti\n0.707039 0.235580 0.615134 Ti\n0.202921 0.410442 0.948192 Ti\n0.702182 0.899686 0.950827 Ti\n0.286566 0.094258 0.049612 Fe\n0.795136 0.600177 0.047593 Fe\n0.213357 0.736071 0.117719 Fe\n0.290146 0.429781 0.214508 Fe\n0.712560 0.909202 0.452352 Fe\n0.791440 0.595023 0.551525 Fe\n0.799784 0.925412 0.213721 Fe\n0.795407 0.266492 0.381596 Fe\n0.209686 0.070410 0.787164 Fe\n0.206304 0.402297 0.450273 Fe\n0.287269 0.096672 0.548608 Fe\n0.712720 0.572955 0.784972 Fe\n0.785406 0.260218 0.882566 Fe\n0.290084 0.764814 0.881590 Fe\n0.670040 0.440542 0.144066 O\n0.987300 0.227645 0.029027 O\n0.978452 0.444773 0.316758 O\n0.156407 0.513624 0.075587 O\n0.155195 0.628821 0.475397 O\n0.143268 0.956155 0.152414 O\n0.357389 0.201420 0.188354 O\n0.352544 0.659271 0.259464 O\n0.513968 0.403455 0.346590 O\n0.514347 0.732739 0.012006 O\n0.497448 0.942187 0.310476 O\n0.650308 0.684457 0.410236 O\n0.658065 0.010785 0.080206 O\n0.649264 0.126633 0.480242 O\n0.827692 0.710241 0.191547 O\n0.851083 0.818901 0.593206 O\n0.838431 0.156446 0.243380 O\n0.021183 0.896494 0.345812 O\n0.983125 0.107506 0.651293 O\n0.156042 0.844378 0.740818 O\n0.147023 0.175390 0.401959 O\n0.164356 0.295400 0.814408 O\n0.340186 0.869310 0.519270 O\n0.354574 0.988303 0.922618 O\n0.346089 0.319938 0.591975 O\n0.523933 0.058419 0.682950 O\n0.476936 0.606519 0.651489 O\n0.472487 0.271165 0.992620 O\n0.649755 0.347475 0.738837 O\n0.666138 0.795327 0.809874 O\n0.839124 0.039570 0.856379 O\n0.842901 0.371913 0.524040 O\n0.860154 0.478886 0.921577 O\n0.027642 0.559960 0.681981 O\n0.976433 0.774879 0.985402 O\n0.346851 0.536282 0.857113 O\n",
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],
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"density": 4.67675263949571,
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"volume": 652.0644479704384,
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"formula_full": "Ti10 Fe14 O36",
"formula_reduced": "Ti5Fe7O18",
"formula_anonymous": "A5B7C18",
"energy": -506.5152749600001,
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"updated_at": "2021-11-28T01:36:02.041000Z",
"spacegroup": 1
},
{
"id": "mp-1211032",
"created_at": "2022-09-04T14:43:08.937704Z",
"structure_string": "Mg1 U2 Si2 H4 O12\n1.0\n1.173336 0.000000 -6.529620\n0.000000 -6.815532 0.000000\n-8.245733 3.407766 3.723903\nMg U Si H O\n1 2 2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.371994 0.761019 0.522038 U\n0.628006 0.238981 0.477962 U\n0.917359 0.811403 0.622806 Si\n0.082641 0.188597 0.377194 Si\n0.608867 0.514290 0.799467 H\n0.391133 0.485710 0.200533 H\n0.391133 0.714823 0.200533 H\n0.608867 0.285177 0.799467 H\n0.606519 0.889147 0.778293 O\n0.393481 0.110853 0.221707 O\n0.951512 0.243092 0.486185 O\n0.048488 0.756908 0.513815 O\n0.713457 0.587626 0.544423 O\n0.286543 0.412374 0.455577 O\n0.286543 0.043202 0.455577 O\n0.713457 0.956798 0.544423 O\n0.694328 0.397191 0.794382 O\n0.305672 0.602809 0.205618 O\n0.093737 0.917409 0.834817 O\n0.906263 0.082591 0.165183 O\n",
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"formula_full": "Mg1 U2 Si2 H4 O12",
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},
{
"id": "mp-1193227",
"created_at": "2022-09-04T14:43:08.956862Z",
"structure_string": "Co28\n1.0\n8.367035 0.000000 0.000000\n0.000000 8.367035 0.000000\n0.000000 0.000000 4.555476\nCo\n28\ndirect\n0.905962 0.094038 0.500000 Co\n0.094038 0.905962 0.500000 Co\n0.405962 0.405962 0.000000 Co\n0.594038 0.594038 0.000000 Co\n0.973270 0.361966 0.500000 Co\n0.026730 0.638034 0.500000 Co\n0.473270 0.138034 0.000000 Co\n0.526730 0.861966 0.000000 Co\n0.361966 0.973270 0.500000 Co\n0.638034 0.026730 0.500000 Co\n0.138034 0.473270 0.000000 Co\n0.861966 0.526730 0.000000 Co\n0.251739 0.444409 0.500000 Co\n0.748261 0.555591 0.500000 Co\n0.751739 0.055591 0.000000 Co\n0.248261 0.944409 0.000000 Co\n0.444409 0.251739 0.500000 Co\n0.555591 0.748261 0.500000 Co\n0.055591 0.751739 0.000000 Co\n0.944409 0.248261 0.000000 Co\n0.686348 0.313652 0.249566 Co\n0.313652 0.686348 0.249566 Co\n0.186348 0.186348 0.749566 Co\n0.813652 0.813652 0.749566 Co\n0.313652 0.686348 0.750434 Co\n0.686348 0.313652 0.750434 Co\n0.813652 0.813652 0.250434 Co\n0.186348 0.186348 0.250434 Co\n",
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},
{
"id": "mp-861394",
"created_at": "2022-09-04T14:43:08.446706Z",
"structure_string": "Li12 Si12 Ni6 O36\n1.0\n0.000000 10.900681 11.183487\n3.165488 0.000000 11.183487\n3.165488 10.900681 0.000000\nLi Si Ni O\n12 12 6 36\ndirect\n0.622950 0.622950 0.877050 Li\n0.002088 0.002088 0.497912 Li\n0.110838 0.462540 0.533033 Li\n0.802337 0.059409 0.918137 Li\n0.331863 0.029883 0.447663 Li\n0.716967 0.356411 0.139162 Li\n0.752088 0.752088 0.247912 Li\n0.372950 0.372950 0.627050 Li\n0.356411 0.716967 0.787460 Li\n0.029883 0.331863 0.190591 Li\n0.059409 0.802337 0.220117 Li\n0.462540 0.110838 0.893589 Li\n0.158984 0.158984 0.341016 Si\n0.493364 0.493364 0.006636 Si\n0.564300 0.946506 0.042917 Si\n0.282873 0.581146 0.424684 Si\n0.825316 0.538703 0.967127 Si\n0.207083 0.803724 0.685700 Si\n0.908984 0.908984 0.091016 Si\n0.243364 0.243364 0.756636 Si\n0.803724 0.207083 0.303494 Si\n0.538703 0.825316 0.668854 Si\n0.581146 0.282873 0.711297 Si\n0.946506 0.564300 0.446276 Si\n0.873854 0.873854 0.626146 Ni\n0.943915 0.198345 0.739394 Ni\n0.510606 0.131654 0.306085 Ni\n0.623854 0.623854 0.376146 Ni\n0.131654 0.510606 0.051655 Ni\n0.198345 0.943915 0.118346 Ni\n0.426170 0.972383 0.081611 O\n0.754598 0.314025 0.770037 O\n0.614179 0.016814 0.914062 O\n0.031137 0.841227 0.593761 O\n0.473710 0.425537 0.150385 O\n0.183711 0.066961 0.447697 O\n0.804481 0.670560 0.883680 O\n0.761078 0.471509 0.970801 O\n0.395894 0.118995 0.296421 O\n0.953579 0.061310 0.854106 O\n0.279199 0.453388 0.488922 O\n0.366320 0.608721 0.445519 O\n0.802303 0.948369 0.066289 O\n0.099615 0.299631 0.776290 O\n0.656239 0.716125 0.218863 O\n0.335938 0.795055 0.635821 O\n0.479963 0.088659 0.495402 O\n0.168389 0.730164 0.823830 O\n0.730164 0.168389 0.277617 O\n0.088659 0.479963 0.935975 O\n0.795055 0.335938 0.233186 O\n0.716125 0.656238 0.408773 O\n0.299631 0.099615 0.824463 O\n0.948369 0.802303 0.183039 O\n0.608721 0.366320 0.579440 O\n0.453388 0.279199 0.778491 O\n0.061310 0.953579 0.131005 O\n0.118995 0.395894 0.188690 O\n0.471509 0.761078 0.796612 O\n0.670560 0.804481 0.641279 O\n0.066961 0.183711 0.301631 O\n0.425537 0.473710 0.950369 O\n0.841227 0.031137 0.533875 O\n0.016814 0.614179 0.454945 O\n0.314025 0.754598 0.161341 O\n0.972383 0.426170 0.519836 O\n",
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"formula_full": "Li12 Si12 Ni6 O36",
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