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{
"id": "mp-1198807",
"created_at": "2022-09-04T14:46:25.559237Z",
"structure_string": "Co16 P16 O88\n1.0\n7.940131 0.000000 0.000000\n0.000000 15.782609 0.000000\n0.000000 0.000000 12.677467\nCo P O\n16 16 88\ndirect\n0.468678 0.750474 0.378801 Co\n0.968678 0.749526 0.621199 Co\n0.531322 0.250474 0.121199 Co\n0.031322 0.249526 0.878801 Co\n0.531322 0.249526 0.621199 Co\n0.031322 0.250474 0.378801 Co\n0.468678 0.749526 0.878801 Co\n0.968678 0.750474 0.121199 Co\n0.844677 0.748393 0.379626 Co\n0.344677 0.751607 0.620374 Co\n0.155323 0.248393 0.120374 Co\n0.655323 0.251607 0.879626 Co\n0.155323 0.251607 0.620374 Co\n0.655323 0.248393 0.379626 Co\n0.844677 0.751607 0.879626 Co\n0.344677 0.748393 0.120374 Co\n0.653912 0.631833 0.203799 P\n0.153912 0.868167 0.796201 P\n0.346088 0.131833 0.296201 P\n0.846088 0.368167 0.703799 P\n0.346088 0.368167 0.796201 P\n0.846088 0.131833 0.203799 P\n0.653912 0.868167 0.703799 P\n0.153912 0.631833 0.296201 P\n0.658772 0.630611 0.556991 P\n0.158772 0.869389 0.443009 P\n0.341228 0.130611 0.943009 P\n0.841228 0.369389 0.056991 P\n0.341228 0.369389 0.443009 P\n0.841228 0.130611 0.556991 P\n0.658772 0.869389 0.056991 P\n0.158772 0.630611 0.943009 P\n0.503411 0.686946 0.525732 O\n0.003411 0.813054 0.474268 O\n0.496589 0.186946 0.974268 O\n0.996589 0.313054 0.025732 O\n0.496589 0.313054 0.474268 O\n0.996589 0.186946 0.525732 O\n0.503411 0.813054 0.025732 O\n0.003411 0.686946 0.974268 O\n0.817171 0.685548 0.525702 O\n0.317171 0.814452 0.474298 O\n0.182829 0.185548 0.974298 O\n0.682829 0.314452 0.025702 O\n0.182829 0.314452 0.474298 O\n0.682829 0.185548 0.525702 O\n0.817171 0.814452 0.025702 O\n0.317171 0.685548 0.974298 O\n0.651929 0.675339 0.314806 O\n0.151929 0.824661 0.685194 O\n0.348071 0.175339 0.185194 O\n0.848071 0.324661 0.814806 O\n0.348071 0.324661 0.685194 O\n0.848071 0.175339 0.314806 O\n0.651929 0.824661 0.814806 O\n0.151929 0.675339 0.185194 O\n0.307968 0.660909 0.361423 O\n0.807968 0.839091 0.638577 O\n0.692032 0.160909 0.138577 O\n0.192032 0.339091 0.861423 O\n0.692032 0.339091 0.638577 O\n0.192032 0.160909 0.361423 O\n0.307968 0.839091 0.861423 O\n0.807968 0.660909 0.138577 O\n0.987382 0.653298 0.354917 O\n0.487382 0.846702 0.645083 O\n0.012618 0.153298 0.145083 O\n0.512618 0.346702 0.854917 O\n0.012618 0.346702 0.645083 O\n0.512618 0.153298 0.354917 O\n0.987382 0.846702 0.854917 O\n0.487382 0.653298 0.145083 O\n0.659093 0.812349 0.406384 O\n0.159093 0.687651 0.593616 O\n0.340907 0.312349 0.093616 O\n0.840907 0.187651 0.906384 O\n0.340907 0.187651 0.593616 O\n0.840907 0.312349 0.406384 O\n0.659093 0.687651 0.906384 O\n0.159093 0.812349 0.093616 O\n0.406269 0.793482 0.248018 O\n0.906269 0.706518 0.751982 O\n0.593731 0.293482 0.251982 O\n0.093731 0.206518 0.748018 O\n0.593731 0.206518 0.751982 O\n0.093731 0.293482 0.248018 O\n0.406269 0.706518 0.748018 O\n0.906269 0.793482 0.251982 O\n0.664428 0.536396 0.218347 O\n0.164428 0.963604 0.781653 O\n0.335572 0.036396 0.281653 O\n0.835572 0.463604 0.718347 O\n0.335572 0.463604 0.781653 O\n0.835572 0.036396 0.218347 O\n0.664428 0.963604 0.718347 O\n0.164428 0.536396 0.281653 O\n0.654025 0.611285 0.675255 O\n0.154025 0.888715 0.324745 O\n0.345975 0.111285 0.824745 O\n0.845975 0.388715 0.175255 O\n0.345975 0.388715 0.324745 O\n0.845975 0.111285 0.675255 O\n0.654025 0.888715 0.175255 O\n0.154025 0.611285 0.824745 O\n0.661788 0.544887 0.497703 O\n0.161788 0.955113 0.502297 O\n0.338212 0.044887 0.002297 O\n0.838212 0.455113 0.997703 O\n0.338212 0.455113 0.502297 O\n0.838212 0.044887 0.497703 O\n0.661788 0.955113 0.997703 O\n0.161788 0.544887 0.002297 O\n0.903340 0.496819 0.440618 O\n0.403340 0.003181 0.559382 O\n0.096660 0.996819 0.059382 O\n0.596660 0.503181 0.940618 O\n0.096660 0.503181 0.559382 O\n0.596660 0.996819 0.440618 O\n0.903340 0.003181 0.940618 O\n0.403340 0.496819 0.059382 O\n",
"nsites": 120,
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"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.975192029456143,
"density_atomic": 0.07553396666098339,
"volume": 1588.689238824065,
"volume_molar": 7.972758516746481,
"formula_full": "Co16 P16 O88",
"formula_reduced": "Co2P2O11",
"formula_anonymous": "A2B2C11",
"energy": -791.67144178,
"energy_per_atom": -6.597262014833333,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:36.785000Z",
"spacegroup": 61
},
{
"id": "mp-680426",
"created_at": "2022-09-04T14:42:47.929157Z",
"structure_string": "Pu62 Pt40\n1.0\n10.830047 0.000000 -3.133759\n-0.906778 10.792019 -3.133759\n0.000883 0.000960 20.283863\nPu Pt\n62 40\ndirect\n0.166348 0.666348 0.332695 Pu\n0.436893 0.125018 0.424855 Pu\n0.987963 0.299838 0.424855 Pu\n0.563107 0.874982 0.575145 Pu\n0.660058 0.839942 1.000000 Pu\n0.058071 0.356212 0.274082 Pu\n0.356212 0.216011 0.274082 Pu\n0.922239 0.422239 0.844478 Pu\n0.374982 0.063107 0.575145 Pu\n0.849574 0.117798 0.100527 Pu\n0.650426 0.517271 0.899473 Pu\n0.982729 0.849574 0.100527 Pu\n0.799838 0.487963 0.424855 Pu\n0.512037 0.374982 0.575145 Pu\n0.874982 0.012037 0.575145 Pu\n0.558071 0.417869 0.274082 Pu\n0.617798 0.349574 0.100527 Pu\n0.249047 0.382202 0.899473 Pu\n0.941929 0.643788 0.725918 Pu\n0.517271 0.249047 0.899473 Pu\n0.216011 0.917869 0.274082 Pu\n0.716011 0.856212 0.274082 Pu\n0.783989 0.082131 0.725918 Pu\n0.125018 0.987963 0.424855 Pu\n0.012037 0.700162 0.575145 Pu\n0.417869 0.716011 0.274082 Pu\n0.749047 0.017271 0.899473 Pu\n0.487963 0.625018 0.424855 Pu\n0.200162 0.512037 0.575145 Pu\n0.643788 0.783989 0.725918 Pu\n0.856212 0.558071 0.274082 Pu\n0.333652 0.833652 0.667305 Pu\n0.299838 0.436893 0.424855 Pu\n0.482729 0.750953 0.100527 Pu\n0.382202 0.650426 0.899473 Pu\n0.250000 0.750000 0.500000 Pu\n0.441929 0.582131 0.725918 Pu\n0.750953 0.617798 0.100527 Pu\n0.150426 0.882202 0.899473 Pu\n0.422239 0.922239 0.844478 Pu\n0.577761 0.077761 0.155522 Pu\n0.017271 0.150426 0.899473 Pu\n0.582131 0.283989 0.725918 Pu\n0.143788 0.441929 0.725918 Pu\n0.666348 0.166348 0.332695 Pu\n0.917869 0.058071 0.274082 Pu\n0.750000 0.250000 0.500000 Pu\n0.283989 0.143788 0.725918 Pu\n0.117798 0.250953 0.100527 Pu\n0.936893 0.799838 0.424855 Pu\n0.250953 0.982729 0.100527 Pu\n0.882202 0.749047 0.899473 Pu\n0.839942 0.339942 1.000000 Pu\n0.833652 0.333652 0.667305 Pu\n0.349574 0.482729 0.100527 Pu\n0.160058 0.660058 0.000000 Pu\n0.082131 0.941929 0.725918 Pu\n0.077761 0.577761 0.155522 Pu\n0.063107 0.200162 0.575145 Pu\n0.339942 0.160058 0.000000 Pu\n0.625018 0.936893 0.424855 Pu\n0.700162 0.563107 0.575145 Pu\n0.403728 0.903728 0.000000 Pt\n0.392419 0.253986 0.146405 Pt\n0.177147 0.177147 0.354294 Pt\n0.607581 0.746014 0.853595 Pt\n0.967160 0.784395 0.251555 Pt\n0.892419 0.392419 0.146405 Pt\n0.596272 0.096272 1.000000 Pt\n0.467160 0.967160 0.251555 Pt\n0.284395 0.467160 0.251555 Pt\n0.032840 0.215605 0.748445 Pt\n0.677147 0.677147 0.354294 Pt\n0.107581 0.607581 0.853595 Pt\n0.715605 0.532840 0.748445 Pt\n0.322853 0.322853 0.645706 Pt\n0.096272 0.403728 0.000000 Pt\n0.899246 0.899246 0.798492 Pt\n0.753986 0.892419 0.146405 Pt\n0.444512 0.633941 0.578453 Pt\n0.600754 0.600754 0.201508 Pt\n0.253986 0.753986 0.146405 Pt\n0.555488 0.366059 0.421547 Pt\n0.366059 0.866059 0.421547 Pt\n0.399246 0.399246 0.798492 Pt\n0.944512 0.444512 0.578453 Pt\n0.100754 0.100754 0.201508 Pt\n0.246014 0.107581 0.853595 Pt\n0.903728 0.596272 1.000000 Pt\n0.750000 0.750000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.133941 0.944512 0.578453 Pt\n0.746014 0.246014 0.853595 Pt\n0.532840 0.032840 0.748445 Pt\n0.215605 0.715605 0.748445 Pt\n0.784395 0.284395 0.251555 Pt\n0.866059 0.055488 0.421547 Pt\n0.000000 0.000000 0.000000 Pt\n0.633941 0.133941 0.578453 Pt\n0.055488 0.555488 0.421547 Pt\n0.822853 0.822853 0.645706 Pt\n0.250000 0.250000 0.500000 Pt\n",
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"elements": [
"Pu",
"Pt"
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"chemical_system": "Pt-Pu",
"density": 16.061394892052267,
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"volume": 2370.8039921931745,
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"formula_full": "Pu62 Pt40",
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"spacegroup": 140
},
{
"id": "mp-1076683",
"created_at": "2022-09-04T14:41:56.551995Z",
"structure_string": "Ba12 Sr20 Co16 Cu16 O80\n1.0\n0.011557 0.011166 11.215141\n11.165494 -0.010398 0.012440\n-5.602968 16.257932 -5.599077\nBa Sr Co Cu O\n12 20 16 16 80\ndirect\n0.307814 0.058212 0.118696 Ba\n0.308788 0.557624 0.118522 Ba\n0.805003 0.058286 0.119194 Ba\n0.808372 0.554912 0.117066 Ba\n0.187698 0.943657 0.381921 Ba\n0.184538 0.938686 0.874841 Ba\n0.686744 0.433858 0.874907 Ba\n0.056186 0.312253 0.117933 Ba\n0.058095 0.810172 0.116879 Ba\n0.557112 0.309408 0.118273 Ba\n0.559166 0.811636 0.118660 Ba\n0.935332 0.687226 0.874937 Ba\n0.303396 0.059493 0.614775 Sr\n0.309594 0.559242 0.614384 Sr\n0.807231 0.058582 0.614325 Sr\n0.801880 0.558788 0.612653 Sr\n0.194470 0.444511 0.390293 Sr\n0.193836 0.439691 0.883221 Sr\n0.694057 0.444403 0.389782 Sr\n0.694597 0.944120 0.389485 Sr\n0.691467 0.942568 0.884544 Sr\n0.052414 0.305441 0.613505 Sr\n0.055561 0.802700 0.612459 Sr\n0.557388 0.305103 0.612824 Sr\n0.555349 0.802505 0.612481 Sr\n0.442865 0.195462 0.389210 Sr\n0.440402 0.191884 0.884088 Sr\n0.445204 0.695806 0.390196 Sr\n0.445207 0.693351 0.883548 Sr\n0.943342 0.195384 0.390087 Sr\n0.942030 0.193042 0.884540 Sr\n0.942442 0.693353 0.389837 Sr\n0.991494 0.997857 0.992174 Co\n0.999999 0.000792 0.504787 Co\n0.991642 0.490076 0.988041 Co\n0.002042 0.500193 0.502795 Co\n0.494070 0.994486 0.985461 Co\n0.502224 0.002321 0.504854 Co\n0.494405 0.492715 0.989062 Co\n0.500741 0.499813 0.501681 Co\n0.243104 0.245468 0.988474 Co\n0.251787 0.254408 0.505804 Co\n0.247814 0.743894 0.989788 Co\n0.252662 0.751155 0.503662 Co\n0.742764 0.242072 0.989171 Co\n0.751112 0.250982 0.502026 Co\n0.743311 0.745419 0.990199 Co\n0.750551 0.752419 0.502618 Co\n0.118840 0.111310 0.253922 Cu\n0.111980 0.102939 0.746128 Cu\n0.121327 0.603408 0.257263 Cu\n0.118895 0.594388 0.745917 Cu\n0.622716 0.110875 0.258442 Cu\n0.612321 0.094296 0.747834 Cu\n0.620913 0.607341 0.256825 Cu\n0.611186 0.602661 0.746256 Cu\n0.371558 0.399104 0.256855 Cu\n0.361094 0.397467 0.747592 Cu\n0.374322 0.898238 0.254470 Cu\n0.367368 0.899540 0.746161 Cu\n0.870262 0.398203 0.256576 Cu\n0.867873 0.391936 0.744032 Cu\n0.868924 0.897276 0.255876 Cu\n0.858118 0.903722 0.747714 Cu\n0.130887 0.136303 0.499107 O\n0.126755 0.136143 0.993117 O\n0.132349 0.632230 0.497389 O\n0.133419 0.630992 0.992497 O\n0.630423 0.132686 0.495684 O\n0.620844 0.123698 0.991607 O\n0.631919 0.632622 0.496250 O\n0.630053 0.629738 0.992920 O\n0.115056 0.383369 0.995802 O\n0.119816 0.385837 0.506248 O\n0.111192 0.885777 0.997438 O\n0.117610 0.885300 0.508090 O\n0.611188 0.377561 0.995732 O\n0.619893 0.386092 0.506496 O\n0.610885 0.880450 0.997104 O\n0.619179 0.886610 0.506797 O\n0.384367 0.116414 0.498995 O\n0.377250 0.111124 0.991105 O\n0.382226 0.613402 0.495894 O\n0.382211 0.611597 0.992204 O\n0.879826 0.113056 0.495658 O\n0.875513 0.113694 0.994401 O\n0.882284 0.613022 0.496856 O\n0.882216 0.611734 0.992916 O\n0.362429 0.364720 0.996733 O\n0.369508 0.370400 0.506136 O\n0.364009 0.863934 0.995411 O\n0.370179 0.870857 0.507897 O\n0.869388 0.365939 0.996063 O\n0.869994 0.370974 0.507061 O\n0.860397 0.866290 0.997875 O\n0.869116 0.870359 0.507311 O\n0.065237 0.082907 0.141304 O\n0.067090 0.089924 0.635032 O\n0.074197 0.582846 0.146203 O\n0.080420 0.588695 0.637021 O\n0.572142 0.083786 0.147057 O\n0.576577 0.089596 0.638507 O\n0.572740 0.580794 0.144665 O\n0.569584 0.588101 0.635002 O\n0.442424 0.410443 0.366602 O\n0.428262 0.411297 0.859618 O\n0.441221 0.908989 0.363950 O\n0.436047 0.914771 0.858672 O\n0.941453 0.409432 0.366194 O\n0.938246 0.410947 0.856723 O\n0.930228 0.906688 0.365552 O\n0.925705 0.926407 0.861276 O\n0.321815 0.314288 0.144628 O\n0.325578 0.301688 0.636363 O\n0.324628 0.811768 0.142212 O\n0.328411 0.796810 0.635755 O\n0.819679 0.313143 0.144336 O\n0.821521 0.293004 0.633308 O\n0.822347 0.812216 0.143641 O\n0.824357 0.801069 0.637802 O\n0.190328 0.205301 0.364552 O\n0.185630 0.195547 0.859220 O\n0.192922 0.696215 0.367969 O\n0.191575 0.684929 0.858334 O\n0.693032 0.207873 0.368236 O\n0.685351 0.182552 0.860311 O\n0.690763 0.705492 0.366932 O\n0.676593 0.697078 0.859621 O\n0.474094 0.045097 0.262537 O\n0.450444 0.054251 0.748211 O\n0.471558 0.543813 0.262541 O\n0.451187 0.548831 0.748647 O\n0.975939 0.039135 0.263756 O\n0.950989 0.053270 0.749198 O\n0.969728 0.543151 0.261402 O\n0.958370 0.531105 0.735954 O\n0.220365 0.463692 0.261762 O\n0.199900 0.439161 0.746502 O\n0.228030 0.979495 0.251582 O\n0.207180 0.959353 0.736441 O\n0.721189 0.468066 0.262359 O\n0.712867 0.464029 0.738690 O\n0.721834 0.971565 0.262004 O\n0.694841 0.940332 0.746492 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-O-Sr",
"density": 5.415723279689168,
"density_atomic": 0.07073030017616422,
"volume": 2035.9025713357191,
"volume_molar": 8.514230457103919,
"formula_full": "Ba12 Sr20 Co16 Cu16 O80",
"formula_reduced": "Ba3Sr5Co4(CuO5)4",
"formula_anonymous": "A3B4C4D5E20",
"energy": -914.83442389,
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"updated_at": "2021-11-28T01:35:39.577000Z",
"spacegroup": 1
},
{
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{
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{
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{
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"structure_string": "Li3 Mn18 O36\n1.0\n6.612929 0.000000 0.000000\n0.845764 6.561590 0.000000\n1.907871 1.721436 15.179590\nLi Mn O\n3 18 36\ndirect\n0.246971 0.252374 0.086170 Li\n0.247348 0.249974 0.749642 Li\n0.591124 0.913479 0.411115 Li\n0.011842 0.012468 0.333115 Mn\n0.992425 0.992229 0.668237 Mn\n0.821810 0.154177 0.166946 Mn\n0.834529 0.168402 0.502338 Mn\n0.825954 0.160773 0.834085 Mn\n0.674057 0.341470 0.333281 Mn\n0.669807 0.338032 0.668253 Mn\n0.508291 0.505313 0.165289 Mn\n0.678968 0.341162 0.997105 Mn\n0.488909 0.488440 0.501439 Mn\n0.505751 0.505986 0.833503 Mn\n0.330356 0.664214 0.332017 Mn\n0.337458 0.671322 0.667971 Mn\n0.162170 0.830187 0.164925 Mn\n0.340667 0.674957 0.998357 Mn\n0.156152 0.824135 0.502870 Mn\n0.160723 0.825759 0.834300 Mn\n0.997268 0.998773 0.998043 Mn\n0.105853 0.101055 0.195386 O\n0.733415 0.067396 0.302294 O\n0.096547 0.091433 0.549855 O\n0.730670 0.071170 0.625124 O\n0.096975 0.095863 0.873101 O\n0.561141 0.244469 0.114586 O\n0.732122 0.071063 0.954125 O\n0.573456 0.227290 0.452726 O\n0.946663 0.267403 0.032206 O\n0.562154 0.239495 0.789797 O\n0.934760 0.274573 0.384117 O\n0.406662 0.402594 0.285016 O\n0.937255 0.257934 0.714635 O\n0.393708 0.395272 0.639905 O\n0.766788 0.426978 0.210889 O\n0.243691 0.562713 0.116769 O\n0.407284 0.407215 0.955852 O\n0.756514 0.430684 0.549246 O\n0.226369 0.565216 0.452603 O\n0.606626 0.606248 0.042392 O\n0.770542 0.431661 0.875062 O\n0.239391 0.562627 0.788841 O\n0.597018 0.613029 0.369985 O\n0.069426 0.741991 0.284687 O\n0.603283 0.604859 0.713608 O\n0.428908 0.766904 0.209782 O\n0.067885 0.728195 0.626274 O\n0.072370 0.731591 0.954581 O\n0.424976 0.759551 0.546234 O\n0.263167 0.937953 0.042723 O\n0.899594 0.894492 0.115258 O\n0.430676 0.769936 0.876459 O\n0.272992 0.924319 0.384397 O\n0.888643 0.899595 0.466721 O\n0.257928 0.937280 0.714606 O\n0.894539 0.894890 0.790399 O\n",
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],
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"formula_full": "Li3 Mn18 O36",
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},
{
"id": "mp-1220144",
"created_at": "2022-09-04T14:43:18.115630Z",
"structure_string": "Pr3 Er1 Mn6 Fe2 Co26\n1.0\n4.224635 2.438253 4.122496\n-4.224635 2.438253 4.122496\n0.000000 -9.762180 8.250525\nPr Er Mn Fe Co\n3 1 6 2 26\ndirect\n0.657574 0.657574 0.828599 Pr\n0.343185 0.343185 0.171645 Pr\n0.341906 0.341906 0.670741 Pr\n0.660019 0.660019 0.330235 Er\n0.001535 0.001535 0.248099 Mn\n0.002768 0.002768 0.747171 Mn\n0.001886 0.495770 0.500208 Mn\n0.002341 0.494896 0.001993 Mn\n0.494896 0.002341 0.001993 Mn\n0.495770 0.001886 0.500208 Mn\n0.905794 0.905794 0.452521 Fe\n0.907044 0.907044 0.953989 Fe\n0.288072 0.713832 0.498127 Co\n0.282879 0.716217 0.001201 Co\n0.713402 0.997675 0.144630 Co\n0.716435 0.000773 0.640790 Co\n0.999017 0.286853 0.356915 Co\n0.999736 0.284224 0.858206 Co\n0.286853 0.999017 0.356915 Co\n0.284224 0.999736 0.858206 Co\n0.997675 0.713402 0.144630 Co\n0.000773 0.716435 0.640790 Co\n0.716217 0.282879 0.001201 Co\n0.713832 0.288072 0.498127 Co\n0.347110 0.347110 0.419617 Co\n0.344211 0.344211 0.920477 Co\n0.346602 0.839548 0.174152 Co\n0.344592 0.840466 0.671342 Co\n0.839548 0.346602 0.174152 Co\n0.840466 0.344592 0.671342 Co\n0.656170 0.656170 0.080296 Co\n0.655694 0.655694 0.574911 Co\n0.655889 0.155236 0.327938 Co\n0.656310 0.155399 0.828159 Co\n0.155236 0.655889 0.327938 Co\n0.155399 0.656310 0.828159 Co\n0.094183 0.094183 0.048433 Co\n0.094755 0.094755 0.545944 Co\n",
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],
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"formula_full": "Pr3 Er1 Mn6 Fe2 Co26",
"formula_reduced": "Pr3ErMn6(FeCo13)2",
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"updated_at": "2021-11-28T01:36:02.667000Z",
"spacegroup": 8
},
{
"id": "mp-1173803",
"created_at": "2022-09-04T14:41:36.565993Z",
"structure_string": "Na9 Ca3 Fe12 Si24 O72\n1.0\n7.589544 0.000000 0.000000\n-2.061316 9.171427 0.000000\n-1.337433 -4.225952 19.456772\nNa Ca Fe Si O\n9 3 12 24 72\ndirect\n0.778527 0.476538 0.566857 Na\n0.772926 0.471565 0.898940 Na\n0.723594 0.022986 0.100772 Na\n0.725781 0.027326 0.433105 Na\n0.724737 0.027700 0.766925 Na\n0.273012 0.971563 0.233150 Na\n0.225520 0.528053 0.100015 Na\n0.222584 0.524077 0.433998 Na\n0.224262 0.523679 0.767097 Na\n0.781084 0.480103 0.233043 Ca\n0.270577 0.969599 0.565377 Ca\n0.280961 0.979093 0.900116 Ca\n0.925684 0.831557 0.300397 Fe\n0.920079 0.821832 0.634941 Fe\n0.921222 0.821371 0.968178 Fe\n0.421971 0.322291 0.301185 Fe\n0.426714 0.329936 0.633627 Fe\n0.426490 0.331765 0.966332 Fe\n0.572676 0.671810 0.033704 Fe\n0.575281 0.678443 0.366985 Fe\n0.577161 0.677542 0.699652 Fe\n0.075463 0.177613 0.033833 Fe\n0.072566 0.171407 0.366662 Fe\n0.073166 0.174546 0.700871 Fe\n0.965955 0.768051 0.126584 Si\n0.964312 0.766644 0.457983 Si\n0.963825 0.765661 0.793343 Si\n0.807842 0.429470 0.065534 Si\n0.807685 0.426168 0.400011 Si\n0.807410 0.426259 0.732808 Si\n0.464413 0.265774 0.125864 Si\n0.692810 0.074791 0.267758 Si\n0.465562 0.267499 0.460203 Si\n0.695886 0.073306 0.600082 Si\n0.466119 0.268196 0.792398 Si\n0.307712 0.925948 0.066673 Si\n0.697168 0.070971 0.933737 Si\n0.532635 0.733119 0.207288 Si\n0.308151 0.929714 0.398636 Si\n0.532666 0.728719 0.540046 Si\n0.307384 0.929078 0.732465 Si\n0.533490 0.729087 0.872918 Si\n0.197069 0.571350 0.267141 Si\n0.193906 0.572904 0.600847 Si\n0.193105 0.574645 0.934314 Si\n0.033620 0.229582 0.206566 Si\n0.033343 0.233800 0.539703 Si\n0.032846 0.232991 0.873894 Si\n0.954089 0.852305 0.202504 O\n0.835955 0.799901 0.063732 O\n0.965669 0.854706 0.535432 O\n0.830708 0.800808 0.398531 O\n0.922602 0.583247 0.122319 O\n0.965720 0.847778 0.873061 O\n0.828806 0.803459 0.736079 O\n0.959629 0.345116 0.035816 O\n0.922676 0.583653 0.452526 O\n0.675954 0.480502 0.012299 O\n0.960256 0.345130 0.369202 O\n0.923850 0.582833 0.786462 O\n0.669179 0.469321 0.343261 O\n0.683074 0.326896 0.113457 O\n0.960522 0.344951 0.702032 O\n0.815744 0.181442 0.221037 O\n0.666706 0.470973 0.678225 O\n0.464752 0.348366 0.205633 O\n0.681429 0.324263 0.446398 O\n0.331389 0.302009 0.067083 O\n0.817082 0.176564 0.553211 O\n0.830969 0.037814 0.324142 O\n0.454438 0.349156 0.538307 O\n0.682947 0.319872 0.777620 O\n0.538446 0.156481 0.297588 O\n0.336227 0.301571 0.398371 O\n0.422919 0.083339 0.119926 O\n0.815689 0.175097 0.886319 O\n0.832883 0.033617 0.656504 O\n0.453960 0.353285 0.868255 O\n0.577895 0.916835 0.214944 O\n0.534835 0.151424 0.627337 O\n0.336270 0.298852 0.729107 O\n0.461096 0.846071 0.035571 O\n0.421919 0.083757 0.456184 O\n0.169391 0.970535 0.010363 O\n0.837630 0.026307 0.988455 O\n0.575220 0.914462 0.547657 O\n0.538391 0.142980 0.963341 O\n0.654060 0.686745 0.266820 O\n0.461045 0.847007 0.368715 O\n0.420875 0.083533 0.788775 O\n0.545221 0.652022 0.128993 O\n0.176393 0.981780 0.345790 O\n0.182417 0.822214 0.111873 O\n0.577973 0.913085 0.879593 O\n0.652762 0.689799 0.601565 O\n0.459645 0.846476 0.702114 O\n0.315362 0.675604 0.219820 O\n0.542013 0.649669 0.461398 O\n0.179248 0.980170 0.677098 O\n0.184246 0.824246 0.444938 O\n0.663653 0.697253 0.934736 O\n0.313421 0.680402 0.553618 O\n0.541076 0.648125 0.794662 O\n0.337780 0.526214 0.321696 O\n0.181878 0.828501 0.780376 O\n0.038367 0.642870 0.296822 O\n0.315493 0.681424 0.887542 O\n0.336379 0.527626 0.654829 O\n0.077853 0.413280 0.213087 O\n0.043856 0.651728 0.633429 O\n0.331451 0.537359 0.990700 O\n0.079293 0.416137 0.546804 O\n0.038964 0.656065 0.964102 O\n0.164230 0.197817 0.268358 O\n0.042688 0.148618 0.128399 O\n0.077868 0.416535 0.881463 O\n0.165235 0.195473 0.600136 O\n0.045035 0.151388 0.462067 O\n0.154869 0.187048 0.933461 O\n0.045479 0.151978 0.795375 O\n",
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"O"
],
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"formula_full": "Na9 Ca3 Fe12 Si24 O72",
"formula_reduced": "Na3CaFe4(SiO3)8",
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},
{
"id": "mp-1198100",
"created_at": "2022-09-04T14:45:13.103757Z",
"structure_string": "Tm4 Al4 Fe30\n1.0\n4.160972 -7.207015 0.000000\n4.160972 7.207015 0.000000\n0.000000 0.000000 8.374007\nTm Al Fe\n4 4 30\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.333333 0.666667 0.399778 Al\n0.666667 0.333333 0.600222 Al\n0.666667 0.333333 0.899778 Al\n0.333333 0.666667 0.100222 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.330572 0.361837 0.250000 Fe\n0.638163 0.968735 0.250000 Fe\n0.031265 0.669428 0.250000 Fe\n0.638163 0.669428 0.250000 Fe\n0.031265 0.361837 0.250000 Fe\n0.330572 0.968735 0.250000 Fe\n0.669428 0.638163 0.750000 Fe\n0.361837 0.031265 0.750000 Fe\n0.968735 0.330572 0.750000 Fe\n0.361837 0.330572 0.750000 Fe\n0.968735 0.638163 0.750000 Fe\n0.669428 0.031265 0.750000 Fe\n0.165387 0.834613 0.512081 Fe\n0.165387 0.330774 0.512081 Fe\n0.669226 0.834613 0.512081 Fe\n0.834613 0.165387 0.487919 Fe\n0.834613 0.669226 0.487919 Fe\n0.330774 0.165387 0.487919 Fe\n0.834613 0.165387 0.012081 Fe\n0.834613 0.669226 0.012081 Fe\n0.330774 0.165387 0.012081 Fe\n0.165387 0.834613 0.987919 Fe\n0.165387 0.330774 0.987919 Fe\n0.669226 0.834613 0.987919 Fe\n",
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}
]
}