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{
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"results": [
{
"id": "mp-752680",
"created_at": "2022-09-04T14:45:15.040241Z",
"structure_string": "Li16 Fe4 O12\n1.0\n-5.048843 -2.566327 -0.231622\n-2.769439 -0.000580 6.368093\n-5.050712 7.702407 -0.233106\nLi Fe O\n16 4 12\ndirect\n0.901753 0.932188 0.866651 Li\n0.401744 0.932196 0.366652 Li\n0.252055 0.433722 0.517055 Li\n0.752067 0.433746 0.017055 Li\n0.837993 0.642171 0.714653 Li\n0.338010 0.642160 0.214660 Li\n0.993160 0.141884 0.560871 Li\n0.493171 0.141907 0.060860 Li\n0.942328 0.837712 0.459274 Li\n0.442342 0.837719 0.959275 Li\n0.162101 0.337117 0.241260 Li\n0.662090 0.337119 0.741268 Li\n0.777052 0.528027 0.491440 Li\n0.277055 0.528042 0.991442 Li\n0.126010 0.028536 0.141878 Li\n0.626007 0.028515 0.641887 Li\n0.348417 0.750129 0.688317 Fe\n0.707618 0.250603 0.329623 Fe\n0.848495 0.750142 0.188352 Fe\n0.207638 0.250665 0.829627 Fe\n0.999009 0.861593 0.669709 O\n0.499071 0.861583 0.169679 O\n0.005702 0.361581 0.663591 O\n0.505730 0.361573 0.163602 O\n0.052825 0.590530 0.351253 O\n0.552811 0.590622 0.851255 O\n0.053916 0.090733 0.349708 O\n0.553926 0.090730 0.849712 O\n0.592480 0.807442 0.537630 O\n0.092470 0.807434 0.037760 O\n0.602807 0.307442 0.527395 O\n0.102878 0.307494 0.027385 O\n",
"nsites": 32,
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"elements": [
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"Fe",
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],
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"volume": 336.78331971233456,
"volume_molar": 6.337989240399255,
"formula_full": "Li16 Fe4 O12",
"formula_reduced": "Li4FeO3",
"formula_anonymous": "AB3C4",
"energy": -184.82381073,
"energy_per_atom": -5.7757440853125,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.486000Z",
"spacegroup": 9
},
{
"id": "mp-11214",
"created_at": "2022-09-04T14:45:25.330147Z",
"structure_string": "Ca4 Ag4 Sb4\n1.0\n4.625708 0.000000 0.000000\n0.000000 7.747458 0.000000\n0.000000 0.000000 8.525331\nCa Ag Sb\n4 4 4\ndirect\n0.750000 0.478838 0.806677 Ca\n0.250000 0.521162 0.193323 Ca\n0.250000 0.021162 0.306677 Ca\n0.750000 0.978838 0.693323 Ca\n0.750000 0.858465 0.064099 Ag\n0.750000 0.358465 0.435901 Ag\n0.250000 0.141535 0.935901 Ag\n0.250000 0.641535 0.564099 Ag\n0.750000 0.742387 0.385186 Sb\n0.250000 0.257613 0.614814 Sb\n0.750000 0.242387 0.114814 Sb\n0.250000 0.757613 0.885186 Sb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ca-Sb",
"density": 5.8634243253915725,
"density_atomic": 0.0392764793341628,
"volume": 305.5263659938676,
"volume_molar": 15.332689849219568,
"formula_full": "Ca4 Ag4 Sb4",
"formula_reduced": "CaAgSb",
"formula_anonymous": "ABC",
"energy": -44.99703199,
"energy_per_atom": -3.7497526658333338,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -44.22903199,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.191000Z",
"spacegroup": 62
},
{
"id": "mp-759028",
"created_at": "2022-09-04T14:45:22.679890Z",
"structure_string": "Li6 Sb6 P8 O32\n1.0\n11.308854 0.000000 0.000000\n0.000000 6.787039 0.000000\n0.000000 2.352833 8.813074\nLi Sb P O\n6 6 8 32\ndirect\n0.596015 0.675179 0.084395 Li\n0.889530 0.180472 0.080322 Li\n0.199451 0.082433 0.348157 Li\n0.699451 0.917567 0.651843 Li\n0.096015 0.324821 0.915605 Li\n0.389530 0.819528 0.919678 Li\n0.886746 0.609922 0.261586 Sb\n0.612305 0.082466 0.291591 Sb\n0.318278 0.635104 0.325438 Sb\n0.818278 0.364896 0.674562 Sb\n0.386746 0.390078 0.738414 Sb\n0.112305 0.917534 0.708409 Sb\n0.368655 0.356434 0.114494 P\n0.116769 0.865022 0.082664 P\n0.596837 0.519571 0.405679 P\n0.915342 0.083504 0.390054 P\n0.096837 0.480429 0.594321 P\n0.415342 0.916496 0.609946 P\n0.868655 0.643566 0.885506 P\n0.616769 0.134978 0.917336 P\n0.434622 0.561337 0.078939 O\n0.806535 0.683355 0.028075 O\n0.044176 0.058453 0.035476 O\n0.693383 0.176421 0.047805 O\n0.041002 0.666066 0.148272 O\n0.270807 0.370373 0.235602 O\n0.448648 0.167614 0.190612 O\n0.639359 0.390506 0.296173 O\n0.933054 0.295763 0.270360 O\n0.201463 0.876004 0.218531 O\n0.874822 0.941319 0.289665 O\n0.578768 0.733553 0.296940 O\n0.196040 0.474198 0.477186 O\n0.481115 0.436402 0.490017 O\n0.318398 0.901517 0.492693 O\n0.981115 0.563598 0.509983 O\n0.037882 0.016186 0.466472 O\n0.696040 0.525802 0.522814 O\n0.537882 0.983814 0.533528 O\n0.818398 0.098483 0.507307 O\n0.433054 0.704237 0.729640 O\n0.139359 0.609494 0.703827 O\n0.770807 0.629627 0.764398 O\n0.078768 0.266447 0.703060 O\n0.374822 0.058681 0.710335 O\n0.541002 0.333934 0.851728 O\n0.701463 0.123996 0.781469 O\n0.948648 0.832386 0.809388 O\n0.306535 0.316645 0.971925 O\n0.934622 0.438663 0.921061 O\n0.193383 0.823579 0.952195 O\n0.544176 0.941547 0.964524 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Sb",
"P",
"O"
],
"chemical_system": "Li-O-P-Sb",
"density": 3.7607542448772833,
"density_atomic": 0.07687355844958808,
"volume": 676.4354486608084,
"volume_molar": 7.833825936325272,
"formula_full": "Li6 Sb6 P8 O32",
"formula_reduced": "Li3Sb3(PO4)4",
"formula_anonymous": "A3B3C4D16",
"energy": -364.14739114,
"energy_per_atom": -7.002834445,
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"energy_uncorrected": -342.16339114,
"band_gap": 3.232,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.707000Z",
"spacegroup": 4
},
{
"id": "mp-8568",
"created_at": "2022-09-04T14:45:18.884669Z",
"structure_string": "Ca8 Pt2 O12\n1.0\n4.652581 -4.718950 0.000000\n4.652581 4.718950 0.000000\n-0.133685 0.000000 6.625491\nCa Pt O\n8 2 12\ndirect\n0.750000 0.112155 0.387845 Ca\n0.387845 0.750000 0.112155 Ca\n0.112155 0.387845 0.750000 Ca\n0.250000 0.887845 0.612155 Ca\n0.612155 0.250000 0.887845 Ca\n0.887845 0.612155 0.250000 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.430414 0.201561 0.552795 O\n0.552795 0.430414 0.201561 O\n0.201561 0.552795 0.430414 O\n0.069586 0.947205 0.298439 O\n0.298439 0.069586 0.947205 O\n0.947205 0.298439 0.069586 O\n0.569586 0.798439 0.447205 O\n0.447205 0.569586 0.798439 O\n0.798439 0.447205 0.569586 O\n0.930414 0.052795 0.701561 O\n0.052795 0.701561 0.930414 O\n0.701561 0.930414 0.052795 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"O"
],
"chemical_system": "Ca-O-Pt",
"density": 5.152831644042038,
"density_atomic": 0.07561976061648303,
"volume": 290.9292468085995,
"volume_molar": 7.963713070373486,
"formula_full": "Ca8 Pt2 O12",
"formula_reduced": "Ca4PtO6",
"formula_anonymous": "AB4C6",
"energy": -147.21741221,
"energy_per_atom": -6.691700555,
"energy_above_hull": null,
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"energy_uncorrected": -138.97341221,
"band_gap": 2.3086,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.449000Z",
"spacegroup": 167
},
{
"id": "mp-1229321",
"created_at": "2022-09-04T14:45:19.988261Z",
"structure_string": "Cs12 Mg12 P36 O108\n1.0\n-0.020107 0.000000 -12.205859\n0.000000 -12.258575 0.000000\n-18.389860 0.000000 2.182228\nCs Mg P O\n12 12 36 108\ndirect\n0.004073 0.133025 0.419176 Cs\n0.504073 0.866975 0.419176 Cs\n0.896585 0.735792 0.501326 Cs\n0.396585 0.264208 0.501326 Cs\n0.198261 0.110509 0.082570 Cs\n0.698261 0.889491 0.082570 Cs\n0.159394 0.621066 0.907883 Cs\n0.659394 0.378934 0.907883 Cs\n0.319717 0.700071 0.188385 Cs\n0.819717 0.299929 0.188385 Cs\n0.272729 0.233381 0.807431 Cs\n0.772729 0.766619 0.807431 Cs\n0.091139 0.963045 0.625315 Mg\n0.591139 0.036955 0.625315 Mg\n0.648599 0.562773 0.369378 Mg\n0.148599 0.437227 0.369378 Mg\n0.000529 0.923753 0.960813 Mg\n0.500529 0.076247 0.960813 Mg\n0.067790 0.462588 0.704794 Mg\n0.567790 0.537412 0.704794 Mg\n0.184467 0.934973 0.299476 Mg\n0.684467 0.065027 0.299476 Mg\n0.493943 0.579248 0.032061 Mg\n0.993943 0.420752 0.032061 Mg\n0.063805 0.416477 0.532120 P\n0.563805 0.583523 0.532120 P\n0.646028 0.605852 0.191848 P\n0.146028 0.394148 0.191848 P\n0.711105 0.795822 0.288636 P\n0.211105 0.204178 0.288636 P\n0.307339 0.578659 0.722930 P\n0.807339 0.421341 0.722930 P\n0.462480 0.810388 0.943529 P\n0.962480 0.189612 0.943529 P\n0.112435 0.722564 0.702179 P\n0.612435 0.277436 0.702179 P\n0.911998 0.924961 0.274918 P\n0.411998 0.075039 0.274918 P\n0.697074 0.300783 0.386088 P\n0.197074 0.699217 0.386088 P\n0.259523 0.942209 0.925715 P\n0.759523 0.057791 0.925715 P\n0.893273 0.440461 0.406634 P\n0.393273 0.559539 0.406634 P\n0.851989 0.077487 0.608277 P\n0.351989 0.922513 0.608277 P\n0.973455 0.689430 0.050668 P\n0.473455 0.310570 0.050668 P\n0.697167 0.102364 0.474510 P\n0.197167 0.897636 0.474510 P\n0.045102 0.223801 0.627611 P\n0.545102 0.776199 0.627611 P\n0.467257 0.613881 0.854980 P\n0.967257 0.386119 0.854980 P\n0.092708 0.913705 0.798667 P\n0.592708 0.086295 0.798667 P\n0.767594 0.563519 0.064200 P\n0.267594 0.436481 0.064200 P\n0.028060 0.882802 0.143298 P\n0.528060 0.117198 0.143298 P\n0.235154 0.484689 0.738750 O\n0.735154 0.515311 0.738750 O\n0.016386 0.298015 0.554591 O\n0.516386 0.701985 0.554591 O\n0.335544 0.837010 0.912616 O\n0.835544 0.162990 0.912616 O\n0.844605 0.027393 0.275885 O\n0.344605 0.972607 0.275885 O\n0.924381 0.982879 0.593952 O\n0.424381 0.017121 0.593952 O\n0.147784 0.396782 0.480246 O\n0.647784 0.603218 0.480246 O\n0.330533 0.039388 0.948112 O\n0.830533 0.960612 0.948112 O\n0.642399 0.537789 0.257699 O\n0.142399 0.462211 0.257699 O\n0.022525 0.753495 0.123904 O\n0.522525 0.246505 0.123904 O\n0.001371 0.948742 0.075479 O\n0.501371 0.051258 0.075479 O\n0.557121 0.570885 0.814677 O\n0.057121 0.429115 0.814677 O\n0.952321 0.467823 0.487646 O\n0.452321 0.532177 0.487646 O\n0.033984 0.583434 0.051300 O\n0.533984 0.416566 0.051300 O\n0.531399 0.911672 0.947500 O\n0.031399 0.088328 0.947500 O\n0.021373 0.919854 0.320030 O\n0.521373 0.080146 0.320030 O\n0.977106 0.401847 0.358916 O\n0.477106 0.598153 0.358916 O\n0.442709 0.552776 0.921837 O\n0.942709 0.447224 0.921837 O\n0.729796 0.038817 0.410609 O\n0.229796 0.961183 0.410609 O\n0.923588 0.180976 0.641611 O\n0.423588 0.819024 0.641611 O\n0.819470 0.534728 0.384095 O\n0.319470 0.465272 0.384095 O\n0.142149 0.797824 0.774993 O\n0.642149 0.202176 0.774993 O\n0.113744 0.129239 0.608070 O\n0.613744 0.870761 0.608070 O\n0.234661 0.680829 0.689201 O\n0.734661 0.319171 0.689201 O\n0.842846 0.820029 0.297569 O\n0.342846 0.179971 0.297569 O\n0.758463 0.060535 0.652010 O\n0.258463 0.939465 0.652010 O\n0.608178 0.057229 0.514965 O\n0.108178 0.942771 0.514965 O\n0.656699 0.224039 0.448976 O\n0.156699 0.775961 0.448976 O\n0.830808 0.461920 0.050845 O\n0.330808 0.538080 0.050845 O\n0.400618 0.561098 0.679303 O\n0.900618 0.438902 0.679303 O\n0.008853 0.889966 0.850213 O\n0.508853 0.110034 0.850213 O\n0.202990 0.966285 0.844291 O\n0.702990 0.033715 0.844291 O\n0.044834 0.628743 0.724236 O\n0.544834 0.371257 0.724236 O\n0.743715 0.556658 0.148394 O\n0.243715 0.443342 0.148394 O\n0.543733 0.623550 0.139769 O\n0.043733 0.376450 0.139769 O\n0.463174 0.742932 0.011307 O\n0.963174 0.257068 0.011307 O\n0.924361 0.896941 0.190044 O\n0.424361 0.103059 0.190044 O\n0.092084 0.486590 0.597338 O\n0.592084 0.513410 0.597338 O\n0.499951 0.739488 0.877217 O\n-0.000049 0.260512 0.877217 O\n0.972817 0.761173 0.985024 O\n0.472817 0.238827 0.985024 O\n0.648262 0.900109 0.274110 O\n0.148262 0.099891 0.274110 O\n0.846458 0.670917 0.065865 O\n0.346458 0.329083 0.065865 O\n0.664895 0.591971 0.015380 O\n0.164895 0.408029 0.015380 O\n0.687093 0.727282 0.351590 O\n0.187093 0.272718 0.351590 O\n0.064555 0.985799 0.734393 O\n0.564555 0.014201 0.734393 O\n0.806806 0.129526 0.528262 O\n0.306806 0.870474 0.528262 O\n0.712045 0.232307 0.320181 O\n0.212045 0.767693 0.320181 O\n0.089708 0.295233 0.689662 O\n0.589708 0.704767 0.689662 O\n0.354159 0.631584 0.802834 O\n0.854159 0.368416 0.802834 O\n0.135834 0.900981 0.189329 O\n0.635834 0.099019 0.189329 O\n0.068295 0.792935 0.639349 O\n0.568295 0.207065 0.639349 O\n0.175437 0.905286 0.973771 O\n0.675437 0.094714 0.973771 O\n0.697176 0.726383 0.213311 O\n0.197176 0.273617 0.213311 O\n0.622403 0.397307 0.380143 O\n0.122403 0.602693 0.380143 O\n0.819627 0.334376 0.423598 O\n0.319627 0.665624 0.423598 O\n",
"nsites": 168,
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"elements": [
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"Mg",
"P",
"O"
],
"chemical_system": "Cs-Mg-O-P",
"density": 2.853606949697539,
"density_atomic": 0.061043248089470384,
"volume": 2752.147129421494,
"volume_molar": 9.865367503337009,
"formula_full": "Cs12 Mg12 P36 O108",
"formula_reduced": "CsMg(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -1231.23654059,
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"updated_at": "2021-11-28T01:36:57.148000Z",
"spacegroup": 7
},
{
"id": "mp-1227173",
"created_at": "2022-09-04T14:45:25.741735Z",
"structure_string": "Ca4 La4 Mn4 Nb4 O24\n1.0\n0.000004 5.824630 -0.000012\n-5.631484 -0.000020 8.057840\n5.637415 -0.000013 8.082270\nCa La Mn Nb O\n4 4 4 4 24\ndirect\n0.552620 0.880203 0.367920 Ca\n0.552608 0.380191 0.867916 Ca\n0.947380 0.880195 0.867912 Ca\n0.947383 0.380197 0.367927 Ca\n0.448708 0.120576 0.632096 La\n0.448708 0.620582 0.132091 La\n0.051284 0.120577 0.132095 La\n0.051292 0.620576 0.632093 La\n0.502478 0.749273 0.750418 Mn\n0.997514 0.749272 0.250419 Mn\n0.502448 0.249281 0.250420 Mn\n0.997545 0.249275 0.750425 Mn\n0.502908 0.000604 0.001001 Nb\n0.502905 0.500603 0.500999 Nb\n0.997088 0.000603 0.501000 Nb\n0.997088 0.500601 0.001002 Nb\n0.808396 0.120193 0.329564 O\n0.808399 0.620197 0.829564 O\n0.691596 0.120196 0.829561 O\n0.691596 0.620194 0.329561 O\n0.187398 0.879514 0.670568 O\n0.187396 0.379514 0.170568 O\n0.312603 0.879514 0.170569 O\n0.312600 0.379513 0.670570 O\n0.285787 0.063134 0.378643 O\n0.285785 0.563134 0.878641 O\n0.214216 0.063135 0.878641 O\n0.214208 0.563134 0.378639 O\n0.710099 0.934847 0.621816 O\n0.710100 0.434845 0.121819 O\n0.789997 0.934873 0.121780 O\n0.789895 0.434848 0.621816 O\n0.958496 0.829821 0.430799 O\n0.958497 0.329822 0.930797 O\n0.541495 0.329820 0.430803 O\n0.541497 0.829821 0.930799 O\n0.037024 0.171829 0.567190 O\n0.037023 0.671830 0.067189 O\n0.462972 0.671834 0.567183 O\n0.462968 0.171830 0.067186 O\n",
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"elements": [
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