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"results": [
{
"id": "mp-1217592",
"created_at": "2022-09-04T14:41:47.240987Z",
"structure_string": "Tb1 Dy3 Co8\n1.0\n-3.590808 -3.590808 0.000000\n0.000000 3.590808 -3.590808\n3.561595 -3.561595 -7.152402\nTb Dy Co\n1 3 8\ndirect\n0.874945 0.749890 0.375164 Tb\n0.374980 0.749961 0.875059 Dy\n0.000226 0.000452 0.999322 Dy\n0.499843 0.999686 0.500470 Dy\n0.437863 0.375291 0.186846 Co\n0.937258 0.374628 0.688114 Co\n0.437863 0.875726 0.186846 Co\n0.937258 0.874516 0.688114 Co\n0.187404 0.374808 0.437787 Co\n0.687561 0.375122 0.937317 Co\n0.937428 0.375291 0.186846 Co\n0.437370 0.374628 0.688114 Co\n",
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},
{
"id": "mp-1338782",
"created_at": "2022-09-04T14:41:47.247929Z",
"structure_string": "Mg8 Ti16 Co8 O56\n1.0\n6.474283 -0.408603 0.000000\n-2.339165 11.937331 0.000000\n0.000000 0.000000 14.775823\nMg Ti Co O\n8 16 8 56\ndirect\n0.048486 0.747703 0.523001 Mg\n0.306235 0.883064 0.894869 Mg\n0.693765 0.616936 0.394869 Mg\n0.693765 0.116936 0.105131 Mg\n0.306235 0.383064 0.605131 Mg\n0.048486 0.247703 0.976999 Mg\n0.951514 0.252297 0.476999 Mg\n0.951514 0.752297 0.023001 Mg\n0.824458 0.984158 0.908842 Ti\n0.411845 0.663408 0.026273 Ti\n0.411845 0.163408 0.473727 Ti\n0.588155 0.336592 0.973727 Ti\n0.533153 0.813294 0.721117 Ti\n0.466847 0.686706 0.221117 Ti\n0.466847 0.186706 0.278883 Ti\n0.533153 0.313294 0.778883 Ti\n0.588155 0.836592 0.526273 Ti\n0.866259 0.493492 0.141699 Ti\n0.133741 0.006508 0.641699 Ti\n0.133741 0.506508 0.858301 Ti\n0.175542 0.515842 0.408842 Ti\n0.824458 0.484158 0.591158 Ti\n0.175542 0.015842 0.091158 Ti\n0.866259 0.993492 0.358301 Ti\n0.663534 0.099147 0.653722 Co\n0.336466 0.400853 0.153722 Co\n0.336466 0.900853 0.346278 Co\n0.663534 0.599147 0.846278 Co\n0.008176 0.225861 0.774704 Co\n0.991824 0.274139 0.274704 Co\n0.991824 0.774139 0.225296 Co\n0.008176 0.725861 0.725296 Co\n0.713930 0.991688 0.021059 O\n0.286070 0.508312 0.521059 O\n0.286070 0.008311 0.978941 O\n0.713930 0.491688 0.478941 O\n0.992308 0.880275 0.920888 O\n0.007692 0.619725 0.420888 O\n0.007692 0.119725 0.079112 O\n0.992308 0.380275 0.579112 O\n0.972019 0.128430 0.874919 O\n0.027981 0.371570 0.374919 O\n0.027981 0.871570 0.125081 O\n0.972019 0.628430 0.625081 O\n0.625030 0.946288 0.297616 O\n0.374970 0.553712 0.797616 O\n0.374970 0.053712 0.702384 O\n0.625030 0.446288 0.202384 O\n0.960688 0.154457 0.360144 O\n0.039312 0.345543 0.860144 O\n0.039312 0.845543 0.639856 O\n0.960688 0.654457 0.139856 O\n0.044387 0.897267 0.310022 O\n0.334775 0.831371 0.456881 O\n0.955613 0.602733 0.810021 O\n0.044387 0.397267 0.189978 O\n0.741571 0.745601 0.483641 O\n0.258429 0.754399 0.983641 O\n0.258429 0.254399 0.516359 O\n0.741571 0.245601 0.016359 O\n0.778233 0.968428 0.472341 O\n0.221767 0.531572 0.972341 O\n0.221767 0.031572 0.527659 O\n0.778233 0.468428 0.027659 O\n0.435707 0.236146 0.880840 O\n0.564293 0.263854 0.380840 O\n0.564293 0.763854 0.119160 O\n0.435707 0.736146 0.619160 O\n0.733390 0.234084 0.736672 O\n0.266610 0.265916 0.236672 O\n0.266610 0.765916 0.263328 O\n0.733390 0.734084 0.763328 O\n0.601597 0.421561 0.662662 O\n0.398403 0.078439 0.162662 O\n0.398403 0.578439 0.337338 O\n0.601597 0.921561 0.837338 O\n0.256377 0.292801 0.722360 O\n0.743623 0.207199 0.222360 O\n0.743623 0.707199 0.277640 O\n0.256377 0.792801 0.777640 O\n0.648657 0.432766 0.859090 O\n0.351343 0.067234 0.359090 O\n0.351343 0.567234 0.140910 O\n0.648657 0.932766 0.640910 O\n0.334775 0.331371 0.043119 O\n0.665225 0.168629 0.543119 O\n0.665225 0.668629 0.956881 O\n0.955613 0.102733 0.689979 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Mg-O-Ti",
"density": 3.4271894084032453,
"density_atomic": 0.078025484346791,
"volume": 1127.8366387176322,
"volume_molar": 7.71817158254869,
"formula_full": "Mg8 Ti16 Co8 O56",
"formula_reduced": "MgTi2CoO7",
"formula_anonymous": "ABC2D7",
"energy": -702.81017051,
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"band_gap": 0.3753999999999999,
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"updated_at": "2021-11-28T01:35:40.175000Z",
"spacegroup": 14
},
{
"id": "mp-977366",
"created_at": "2022-09-04T14:41:47.346832Z",
"structure_string": "Np1 Sb3\n1.0\n-2.227566 2.227566 5.252556\n2.227566 -2.227566 5.252556\n2.227566 2.227566 -5.252556\nNp Sb\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 4,
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],
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"density": 9.593027634499617,
"density_atomic": 0.03836791043998857,
"volume": 104.25378797358326,
"volume_molar": 15.695774648502837,
"formula_full": "Np1 Sb3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:40.333000Z",
"spacegroup": 139
},
{
"id": "mp-863405",
"created_at": "2022-09-04T14:41:47.249710Z",
"structure_string": "Mn8 Pb1 O16\n1.0\n5.954159 0.000000 0.000000\n1.500348 7.009398 0.000000\n1.481996 0.048652 7.049280\nMn Pb O\n8 1 16\ndirect\n0.575314 0.520240 0.183674 Mn\n0.075775 0.514322 0.185090 Mn\n0.167388 0.815920 0.513266 Mn\n0.666817 0.818411 0.521218 Mn\n0.334492 0.183720 0.480392 Mn\n0.833029 0.181885 0.485553 Mn\n0.429131 0.480253 0.815075 Mn\n0.924932 0.485617 0.816844 Mn\n0.092626 0.000505 0.998365 Pb\n0.831987 0.643912 0.048428 O\n0.321134 0.650113 0.052515 O\n0.979985 0.704314 0.379500 O\n0.479388 0.705689 0.381741 O\n0.858898 0.953181 0.644122 O\n0.338631 0.959077 0.649036 O\n0.336694 0.376671 0.286798 O\n0.834437 0.371452 0.285632 O\n0.166387 0.626868 0.714023 O\n0.666722 0.624967 0.713489 O\n0.145123 0.041383 0.346341 O\n0.652919 0.045963 0.360406 O\n0.020174 0.293717 0.621349 O\n0.524769 0.295631 0.617412 O\n0.172539 0.347624 0.947824 O\n0.677808 0.358566 0.951903 O\n",
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"volume": 294.202195562754,
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"formula_full": "Mn8 Pb1 O16",
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},
{
"id": "mp-1101095",
"created_at": "2022-09-04T14:41:47.269026Z",
"structure_string": "Cs2 Mn1 O1 F5\n1.0\n0.000000 0.000000 4.171526\n4.982446 4.575529 0.000000\n-4.982446 4.575529 0.000000\nCs Mn O F\n2 1 1 5\ndirect\n0.493485 0.500000 0.000000 Cs\n0.493485 0.000000 0.500000 Cs\n0.993933 0.000000 0.000000 Mn\n0.686467 0.500000 0.500000 O\n0.493872 0.000000 0.000000 F\n0.993589 0.188430 0.811570 F\n0.993589 0.811570 0.188430 F\n0.993691 0.795978 0.795978 F\n0.993691 0.204022 0.204022 F\n",
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"O",
"F"
],
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"volume": 190.19927764666193,
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"formula_full": "Cs2 Mn1 O1 F5",
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"formula_anonymous": "ABC2D5",
"energy": -47.22605084,
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"spacegroup": 35
},
{
"id": "mp-728213",
"created_at": "2022-09-04T14:41:47.274840Z",
"structure_string": "Zn2 Cr2 H56 C12 N24 Cl10 O16\n1.0\n10.737672 0.000000 0.000000\n-3.512817 10.431430 0.000000\n-2.703693 -3.737585 12.591787\nZn Cr H C N Cl O\n2 2 56 12 24 10 16\ndirect\n0.406524 0.698142 0.669578 Zn\n0.593476 0.301858 0.330422 Zn\n0.960059 0.957298 0.237903 Cr\n0.039941 0.042702 0.762097 Cr\n0.869481 0.290861 0.164160 H\n0.130519 0.709139 0.835840 H\n0.022540 0.393196 0.145668 H\n0.977460 0.606804 0.854332 H\n0.217478 0.323534 0.182103 H\n0.782522 0.676466 0.817897 H\n0.179084 0.156980 0.186808 H\n0.820916 0.843020 0.813192 H\n0.523624 0.833651 0.349921 H\n0.476376 0.166349 0.650079 H\n0.619592 0.002280 0.366023 H\n0.380408 0.997720 0.633977 H\n0.756497 0.713595 0.250232 H\n0.243503 0.286405 0.749768 H\n0.598287 0.667701 0.275473 H\n0.401713 0.332299 0.724527 H\n0.671955 0.617081 0.957677 H\n0.328045 0.382919 0.042323 H\n0.549408 0.683629 0.914897 H\n0.450592 0.316371 0.085103 H\n0.730881 0.001334 0.103642 H\n0.269119 0.998666 0.896358 H\n0.582639 0.901992 0.998078 H\n0.417361 0.098008 0.001922 H\n0.958380 0.726095 0.081684 H\n0.041620 0.273905 0.918316 H\n0.089434 0.662010 0.075505 H\n0.910566 0.337990 0.924495 H\n0.315955 0.816152 0.124740 H\n0.684045 0.183848 0.875260 H\n0.352991 0.977821 0.202096 H\n0.647009 0.022179 0.797904 H\n0.093045 0.606557 0.376228 H\n0.906955 0.393443 0.623772 H\n0.937856 0.575392 0.279655 H\n0.062144 0.424608 0.720345 H\n0.270804 0.823991 0.402818 H\n0.729196 0.176009 0.597182 H\n0.214550 0.955877 0.392929 H\n0.785450 0.044123 0.607071 H\n0.329791 0.259715 0.456340 H\n0.670209 0.740285 0.543660 H\n0.274005 0.381282 0.518032 H\n0.725995 0.618718 0.481968 H\n0.030093 0.332493 0.468374 H\n0.969907 0.667507 0.531626 H\n0.920850 0.167959 0.394464 H\n0.079150 0.832041 0.605536 H\n0.377243 0.625042 0.374111 H\n0.622757 0.374958 0.625889 H\n0.313829 0.631830 0.261069 H\n0.686171 0.368170 0.738931 H\n0.730197 0.407299 0.153241 H\n0.269803 0.592701 0.846759 H\n0.776898 0.494951 0.079130 H\n0.223102 0.505049 0.920870 H\n0.017783 0.215462 0.175996 C\n0.982217 0.784538 0.824004 C\n0.702407 0.870431 0.305580 C\n0.297593 0.129569 0.694420 C\n0.712919 0.808817 0.043322 C\n0.287081 0.191183 0.956678 C\n0.150658 0.865481 0.136994 C\n0.849342 0.134519 0.863006 C\n0.064421 0.769945 0.337663 C\n0.935579 0.230055 0.662337 C\n0.123695 0.201752 0.422973 C\n0.876305 0.798248 0.577027 C\n0.970006 0.312885 0.167730 N\n0.029994 0.687115 0.832270 N\n0.148508 0.234694 0.181051 N\n0.851492 0.765306 0.818949 N\n0.610243 0.905163 0.346132 N\n0.389757 0.094837 0.653868 N\n0.678822 0.740533 0.266557 N\n0.321178 0.259467 0.733443 N\n0.635608 0.692530 0.968569 N\n0.364392 0.307470 0.031431 N\n0.668098 0.910010 0.052315 N\n0.331902 0.089990 0.947685 N\n0.059228 0.741871 0.089153 N\n0.940772 0.258129 0.910847 N\n0.285027 0.893335 0.145173 N\n0.714973 0.106665 0.854827 N\n0.031036 0.639750 0.330599 N\n0.968964 0.360250 0.669401 N\n0.192490 0.857718 0.389073 N\n0.807510 0.142282 0.610927 N\n0.252671 0.286155 0.474808 N\n0.747329 0.713845 0.525192 N\n0.017267 0.237775 0.430228 N\n0.982733 0.762225 0.569772 N\n0.783396 0.468795 0.907889 Cl\n0.216604 0.531205 0.092111 Cl\n0.192946 0.577528 0.554501 Cl\n0.807054 0.422472 0.445499 Cl\n0.516482 0.554211 0.691222 Cl\n0.483518 0.445789 0.308778 Cl\n0.523967 0.859246 0.602880 Cl\n0.476033 0.140754 0.397120 Cl\n0.389916 0.804419 0.833672 Cl\n0.610084 0.195581 0.166328 Cl\n0.933465 0.104252 0.180004 O\n0.066535 0.895748 0.819996 O\n0.810356 0.964763 0.304062 O\n0.189644 0.035237 0.695938 O\n0.826199 0.817654 0.104572 O\n0.173801 0.182346 0.895428 O\n0.115211 0.962981 0.173356 O\n0.884789 0.037019 0.826644 O\n0.968610 0.805953 0.294720 O\n0.031390 0.194047 0.705280 O\n0.106149 0.084379 0.367528 O\n0.893851 0.915621 0.632472 O\n0.355682 0.686243 0.336333 O\n0.644318 0.313757 0.663667 O\n0.785662 0.497922 0.154319 O\n0.214338 0.502078 0.845681 O\n",
"nsites": 122,
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"elements": [
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"H",
"C",
"N",
"Cl",
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],
"chemical_system": "C-Cl-Cr-H-N-O-Zn",
"density": 1.6271816576737763,
"density_atomic": 0.08650047262156124,
"volume": 1410.3969181041225,
"volume_molar": 6.961974400240342,
"formula_full": "Zn2 Cr2 H56 C12 N24 Cl10 O16",
"formula_reduced": "ZnCrH28C6N12Cl5O8",
"formula_anonymous": "ABC5D6E8F12G28",
"energy": -726.47793671,
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"updated_at": "2021-11-28T01:35:25.368000Z",
"spacegroup": 2
},
{
"id": "mp-17987",
"created_at": "2022-09-04T14:41:47.339781Z",
"structure_string": "Tb11 O20\n1.0\n6.595996 0.000000 0.000000\n-1.026368 6.569830 0.000000\n-0.516282 -0.928726 10.244655\nTb O\n11 20\ndirect\n0.000000 0.000000 0.000000 Tb\n0.585622 0.288314 0.084589 Tb\n0.414378 0.711686 0.915411 Tb\n0.087848 0.581059 0.183633 Tb\n0.912152 0.418941 0.816367 Tb\n0.187255 0.088749 0.383717 Tb\n0.812745 0.911251 0.616283 Tb\n0.647292 0.840651 0.262593 Tb\n0.352708 0.159349 0.737407 Tb\n0.724908 0.368523 0.438530 Tb\n0.275092 0.631477 0.561470 Tb\n0.660342 0.937583 0.046788 O\n0.339658 0.062417 0.953212 O\n0.678559 0.225441 0.650698 O\n0.321441 0.774559 0.349302 O\n0.837984 0.059648 0.425821 O\n0.162016 0.940352 0.574179 O\n0.593677 0.437418 0.886373 O\n0.406323 0.562582 0.113627 O\n0.927127 0.316159 0.039868 O\n0.072873 0.683841 0.960132 O\n0.590217 0.689703 0.465282 O\n0.409783 0.310297 0.534718 O\n0.756786 0.525571 0.246165 O\n0.243214 0.474429 0.753835 O\n0.990061 0.096093 0.794290 O\n0.009939 0.903907 0.205710 O\n0.504805 0.849110 0.723992 O\n0.495195 0.150890 0.276008 O\n0.093337 0.412858 0.378566 O\n0.906663 0.587142 0.621434 O\n",
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"volume": 443.9477438174884,
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