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{
"count": 146323,
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{
"id": "mp-1247647",
"created_at": "2022-09-04T14:45:54.383857Z",
"structure_string": "Sr4 Ca28 Ti8 Mn24 O88\n1.0\n10.922030 -0.027744 -0.104645\n-0.038092 15.774318 0.003729\n-0.102557 0.001830 10.888556\nSr Ca Ti Mn O\n4 28 8 24 88\ndirect\n0.988400 0.116928 0.512058 Sr\n0.501754 0.390906 0.001790 Sr\n0.243312 0.392988 0.247518 Sr\n0.223665 0.119927 0.226380 Sr\n0.980228 0.114722 0.012966 Ca\n0.011064 0.625894 0.495720 Ca\n0.012734 0.626723 0.996548 Ca\n0.546039 0.123877 0.483962 Ca\n0.545873 0.119509 0.983836 Ca\n0.523403 0.624851 0.499918 Ca\n0.523205 0.624828 0.001344 Ca\n0.497836 0.394452 0.504358 Ca\n0.498984 0.852764 0.997507 Ca\n0.497584 0.854122 0.498168 Ca\n0.965193 0.394381 0.000291 Ca\n0.961997 0.393136 0.498612 Ca\n0.966310 0.863213 0.007724 Ca\n0.965976 0.863820 0.509317 Ca\n0.236092 0.397683 0.736223 Ca\n0.231270 0.855642 0.259968 Ca\n0.231443 0.858387 0.758163 Ca\n0.736282 0.398906 0.256647 Ca\n0.730591 0.392621 0.751870 Ca\n0.727556 0.859221 0.247602 Ca\n0.728961 0.858949 0.747618 Ca\n0.223583 0.113854 0.736641 Ca\n0.269086 0.628309 0.258913 Ca\n0.270387 0.628716 0.759145 Ca\n0.770376 0.118079 0.247976 Ca\n0.776527 0.119862 0.754837 Ca\n0.768121 0.625138 0.253823 Ca\n0.769544 0.625302 0.756998 Ca\n0.988283 0.985265 0.260961 Ti\n0.988998 0.986532 0.761041 Ti\n0.233744 0.986447 0.007698 Ti\n0.232753 0.990973 0.513630 Ti\n0.264383 0.235043 0.932872 Ti\n0.271102 0.232840 0.450639 Ti\n0.974578 0.258681 0.271131 Ti\n0.986556 0.258777 0.774919 Ti\n0.003133 0.505417 0.246866 Mn\n0.002521 0.503817 0.748028 Mn\n0.502936 0.988788 0.229557 Mn\n0.505775 0.988275 0.735098 Mn\n0.498787 0.507405 0.252384 Mn\n0.496749 0.507307 0.750683 Mn\n0.249941 0.512073 0.000286 Mn\n0.248255 0.513235 0.504062 Mn\n0.745588 0.993560 0.993776 Mn\n0.739992 0.995077 0.492900 Mn\n0.750584 0.505756 0.001174 Mn\n0.749017 0.506446 0.504842 Mn\n0.250234 0.747673 0.007904 Mn\n0.249010 0.749402 0.507404 Mn\n0.748088 0.251643 0.005687 Mn\n0.744538 0.252594 0.507014 Mn\n0.751453 0.745328 0.000889 Mn\n0.750181 0.746156 0.500407 Mn\n0.000663 0.746680 0.250813 Mn\n0.001778 0.745950 0.750642 Mn\n0.522435 0.258446 0.254012 Mn\n0.515490 0.256476 0.752206 Mn\n0.498644 0.745455 0.254037 Mn\n0.498931 0.745493 0.753512 Mn\n0.107764 0.778282 0.110162 O\n0.110278 0.778501 0.607171 O\n0.586415 0.246833 0.087490 O\n0.584759 0.256200 0.584881 O\n0.609849 0.761812 0.112962 O\n0.611777 0.761224 0.610991 O\n0.397502 0.191013 0.354641 O\n0.396483 0.182076 0.854590 O\n0.395880 0.729597 0.401333 O\n0.393083 0.728699 0.904616 O\n0.905291 0.247924 0.419991 O\n0.918536 0.245128 0.925990 O\n0.897527 0.730794 0.393178 O\n0.894174 0.730972 0.896253 O\n0.156905 0.250540 0.328232 O\n0.173475 0.255922 0.790226 O\n0.149413 0.735804 0.354321 O\n0.148671 0.735125 0.855483 O\n0.661292 0.223085 0.356096 O\n0.664073 0.226884 0.853099 O\n0.644450 0.726790 0.357024 O\n0.644503 0.726773 0.859818 O\n0.355850 0.769650 0.149345 O\n0.355653 0.770705 0.646756 O\n0.843117 0.272068 0.161607 O\n0.859621 0.270497 0.660708 O\n0.859281 0.771308 0.144821 O\n0.860754 0.770341 0.643715 O\n0.361779 0.492423 0.137288 O\n0.355170 0.492265 0.642687 O\n0.364693 0.027565 0.108956 O\n0.354265 0.016619 0.637156 O\n0.862971 0.483941 0.141305 O\n0.859260 0.479814 0.643416 O\n0.858304 0.977210 0.143759 O\n0.857759 0.981687 0.646609 O\n0.146236 0.015235 0.364511 O\n0.158902 0.008808 0.857747 O\n0.145818 0.519744 0.354358 O\n0.151750 0.516683 0.848869 O\n0.631287 0.029986 0.346932 O\n0.640070 0.025788 0.847770 O\n0.641808 0.523950 0.363063 O\n0.641722 0.520651 0.857587 O\n0.388898 0.516207 0.399409 O\n0.393351 0.521061 0.894398 O\n0.884880 0.011634 0.389293 O\n0.893611 0.011074 0.896254 O\n0.889257 0.515819 0.394484 O\n0.897888 0.518599 0.889911 O\n0.111681 0.478703 0.098202 O\n0.108146 0.475011 0.600892 O\n0.108433 0.981197 0.115132 O\n0.104775 0.977839 0.613612 O\n0.616666 0.494427 0.120209 O\n0.608697 0.489592 0.614275 O\n0.602369 0.982728 0.082212 O\n0.595388 0.985655 0.580867 O\n0.007834 0.375238 0.278097 O\n0.012634 0.376958 0.787596 O\n0.007951 0.873857 0.295225 O\n0.007769 0.875052 0.794868 O\n0.500337 0.381960 0.279244 O\n0.493839 0.381084 0.771451 O\n0.504270 0.868513 0.283578 O\n0.505794 0.867637 0.784580 O\n0.484187 0.627098 0.215483 O\n0.486043 0.626483 0.712853 O\n0.991003 0.135897 0.226827 O\n0.001933 0.131981 0.740370 O\n0.993011 0.628796 0.212392 O\n0.993706 0.622566 0.711440 O\n0.186437 0.151939 0.013882 O\n0.217874 0.140503 0.534431 O\n0.228663 0.633203 0.043477 O\n0.228698 0.633755 0.543051 O\n0.758501 0.120096 0.032707 O\n0.752562 0.127726 0.540656 O\n0.750036 0.626341 0.037968 O\n0.750233 0.625110 0.541321 O\n0.300222 0.330642 0.529584 O\n0.290660 0.327866 0.022714 O\n0.279804 0.884871 0.469418 O\n0.277924 0.878929 0.973875 O\n0.743035 0.378437 0.472845 O\n0.746980 0.380450 0.970241 O\n0.748048 0.869422 0.463755 O\n0.749766 0.870129 0.961644 O\n",
"nsites": 152,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.056276214046261,
"density_atomic": 0.08103286852201667,
"volume": 1875.7820471171092,
"volume_molar": 7.431726001855385,
"formula_full": "Sr4 Ca28 Ti8 Mn24 O88",
"formula_reduced": "SrCa7Ti2Mn6O22",
"formula_anonymous": "AB2C6D7E22",
"energy": -1203.6212502,
"energy_per_atom": -7.918560856578948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1103.1332502,
"band_gap": 0.0731999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 88.0003902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.279000Z",
"spacegroup": 1
},
{
"id": "mp-1247696",
"created_at": "2022-09-04T14:47:10.943621Z",
"structure_string": "Sr4 Ca28 Ti12 Mn20 O88\n1.0\n11.004856 -0.025899 -0.104062\n-0.035701 15.737155 0.007808\n-0.102316 0.005687 10.952611\nSr Ca Ti Mn O\n4 28 12 20 88\ndirect\n0.989060 0.118800 0.510585 Sr\n0.502164 0.390197 0.998906 Sr\n0.243817 0.392530 0.252072 Sr\n0.226222 0.118241 0.231614 Sr\n0.987005 0.114400 0.011280 Ca\n0.008755 0.626058 0.504091 Ca\n0.003467 0.625998 0.989118 Ca\n0.546693 0.124974 0.482735 Ca\n0.548671 0.124020 0.982322 Ca\n0.524712 0.624818 0.501704 Ca\n0.530157 0.624817 0.999817 Ca\n0.493353 0.394688 0.507729 Ca\n0.502434 0.855091 0.997489 Ca\n0.497925 0.854448 0.497437 Ca\n0.966703 0.391320 0.997290 Ca\n0.961378 0.389536 0.503364 Ca\n0.966300 0.864661 0.007005 Ca\n0.965449 0.865678 0.509767 Ca\n0.235616 0.399268 0.741768 Ca\n0.232010 0.857375 0.259259 Ca\n0.228581 0.861463 0.753946 Ca\n0.736063 0.395273 0.254095 Ca\n0.731017 0.392455 0.752437 Ca\n0.728696 0.859081 0.246768 Ca\n0.729372 0.859356 0.746619 Ca\n0.226853 0.113061 0.739309 Ca\n0.276478 0.628884 0.269977 Ca\n0.269720 0.628599 0.751293 Ca\n0.771393 0.117773 0.247579 Ca\n0.777770 0.122942 0.755073 Ca\n0.756779 0.623869 0.251409 Ca\n0.768123 0.624314 0.755468 Ca\n0.986108 0.985533 0.261211 Ti\n0.986605 0.989666 0.760029 Ti\n0.999781 0.503741 0.251161 Ti\n0.232537 0.983863 0.011253 Ti\n0.231867 0.989834 0.515961 Ti\n0.248691 0.516961 0.007907 Ti\n0.266197 0.238129 0.934612 Ti\n0.268602 0.234928 0.455256 Ti\n0.251904 0.746786 0.005328 Ti\n0.977214 0.257331 0.267916 Ti\n0.995448 0.257989 0.771097 Ti\n0.999862 0.743012 0.250619 Ti\n0.001425 0.503149 0.748414 Mn\n0.505991 0.988977 0.229985 Mn\n0.506792 0.988575 0.733813 Mn\n0.499072 0.505688 0.253536 Mn\n0.495724 0.506507 0.750300 Mn\n0.247029 0.511888 0.505157 Mn\n0.744169 0.995490 0.991456 Mn\n0.739129 0.995210 0.492140 Mn\n0.750841 0.503445 0.000957 Mn\n0.747049 0.504094 0.504288 Mn\n0.250078 0.750344 0.506948 Mn\n0.751484 0.252137 0.002739 Mn\n0.742307 0.253327 0.505091 Mn\n0.751921 0.747064 0.998582 Mn\n0.749989 0.746435 0.500642 Mn\n0.001260 0.748130 0.749899 Mn\n0.518261 0.257829 0.255849 Mn\n0.514860 0.255998 0.748957 Mn\n0.499861 0.746392 0.254107 Mn\n0.499673 0.745741 0.753083 Mn\n0.110163 0.777891 0.110492 O\n0.108390 0.777630 0.607105 O\n0.566948 0.248851 0.094919 O\n0.579101 0.258598 0.580751 O\n0.611059 0.761743 0.113016 O\n0.612764 0.761817 0.609956 O\n0.396335 0.195553 0.361368 O\n0.397159 0.185291 0.857272 O\n0.396173 0.728891 0.402437 O\n0.391211 0.727419 0.907598 O\n0.899488 0.243575 0.407899 O\n0.929702 0.240538 0.917276 O\n0.897365 0.730280 0.389515 O\n0.895618 0.733598 0.892767 O\n0.155743 0.249281 0.331588 O\n0.177896 0.253778 0.789987 O\n0.148658 0.737247 0.354711 O\n0.148117 0.734038 0.859493 O\n0.653765 0.219949 0.341987 O\n0.662242 0.227496 0.851149 O\n0.644231 0.726504 0.357133 O\n0.645163 0.725994 0.861118 O\n0.355956 0.766914 0.149996 O\n0.352669 0.769894 0.647955 O\n0.854877 0.276859 0.153140 O\n0.875795 0.271000 0.652869 O\n0.862328 0.770771 0.142487 O\n0.861259 0.771228 0.642437 O\n0.360529 0.493350 0.139669 O\n0.350559 0.494760 0.644046 O\n0.359512 0.017942 0.120092 O\n0.351733 0.012857 0.641058 O\n0.864526 0.482346 0.138512 O\n0.859987 0.479110 0.642455 O\n0.859203 0.976929 0.145517 O\n0.857819 0.979784 0.647410 O\n0.144842 0.016413 0.369635 O\n0.157914 0.013584 0.866077 O\n0.143668 0.519126 0.355998 O\n0.145756 0.518803 0.857640 O\n0.632523 0.029770 0.346209 O\n0.638905 0.028925 0.844760 O\n0.641000 0.521380 0.362026 O\n0.640892 0.519947 0.862729 O\n0.386070 0.516026 0.400307 O\n0.382922 0.519638 0.899738 O\n0.884842 0.012667 0.389840 O\n0.891742 0.013558 0.895164 O\n0.894249 0.515980 0.385776 O\n0.895929 0.516031 0.888442 O\n0.112271 0.474871 0.103741 O\n0.105794 0.477191 0.602637 O\n0.107978 0.978306 0.117016 O\n0.106131 0.974212 0.615780 O\n0.618788 0.492082 0.119873 O\n0.610894 0.490293 0.613102 O\n0.600291 0.985050 0.079374 O\n0.593753 0.984954 0.578763 O\n0.010033 0.376902 0.283461 O\n0.018747 0.376858 0.788148 O\n0.008543 0.874543 0.296454 O\n0.012442 0.877955 0.798165 O\n0.494877 0.379659 0.280895 O\n0.491726 0.381652 0.768976 O\n0.506813 0.868364 0.284030 O\n0.507025 0.867406 0.786078 O\n0.487774 0.626385 0.215006 O\n0.485359 0.626799 0.714350 O\n0.994261 0.135019 0.224155 O\n0.006049 0.126320 0.735218 O\n0.996266 0.625722 0.209872 O\n0.992619 0.622899 0.715842 O\n0.194036 0.156336 0.022724 O\n0.219186 0.141575 0.539079 O\n0.226053 0.628816 0.048945 O\n0.227167 0.633645 0.538729 O\n0.758195 0.125677 0.036046 O\n0.749583 0.129819 0.541916 O\n0.756036 0.624733 0.037027 O\n0.752457 0.624539 0.539290 O\n0.292872 0.335359 0.528028 O\n0.284198 0.338644 0.009132 O\n0.280650 0.884634 0.467805 O\n0.277175 0.877353 0.969160 O\n0.746855 0.377531 0.468140 O\n0.749059 0.377334 0.965443 O\n0.749645 0.869025 0.461739 O\n0.749098 0.871519 0.960477 O\n",
"nsites": 152,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 3.986881316198153,
"density_atomic": 0.08014125231484685,
"volume": 1896.6511703965562,
"volume_molar": 7.514408105754478,
"formula_full": "Sr4 Ca28 Ti12 Mn20 O88",
"formula_reduced": "SrCa7Ti3Mn5O22",
"formula_anonymous": "AB3C5D7E22",
"energy": -1219.09921944,
"energy_per_atom": -8.020389601578948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1125.28321944,
"band_gap": 0.0579,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 75.9999786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.080000Z",
"spacegroup": 1
},
{
"id": "mp-1201930",
"created_at": "2022-09-04T14:47:18.537534Z",
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"elements": [
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{
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{
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{
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{
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"created_at": "2022-09-04T14:39:33.918273Z",
"structure_string": "Sr4 Ca28 Mn32 O88\n1.0\n10.898916 -0.027446 -0.078239\n-0.036373 15.607852 -0.009095\n-0.076348 -0.006804 10.843256\nSr Ca Mn O\n4 28 32 88\ndirect\n0.004177 0.117136 0.499536 Sr\n0.498072 0.387576 0.999844 Sr\n0.239961 0.388159 0.260763 Sr\n0.230766 0.116349 0.242595 Sr\n0.001382 0.108660 0.001418 Ca\n0.018339 0.627161 0.494959 Ca\n0.018489 0.627262 0.995990 Ca\n0.537000 0.126524 0.485331 Ca\n0.541602 0.125917 0.982565 Ca\n0.522633 0.625500 0.498137 Ca\n0.522168 0.625138 0.998875 Ca\n0.495246 0.392349 0.502825 Ca\n0.492240 0.857178 0.001259 Ca\n0.493827 0.856923 0.501554 Ca\n0.966546 0.387634 0.999298 Ca\n0.962910 0.386352 0.498124 Ca\n0.971117 0.872303 0.009094 Ca\n0.971446 0.873049 0.508614 Ca\n0.231009 0.395315 0.756409 Ca\n0.223852 0.871413 0.252849 Ca\n0.223587 0.870927 0.751186 Ca\n0.742309 0.392811 0.253229 Ca\n0.737123 0.389110 0.749626 Ca\n0.742818 0.861041 0.251964 Ca\n0.741703 0.861737 0.750063 Ca\n0.226148 0.111211 0.743547 Ca\n0.268951 0.629553 0.257760 Ca\n0.269435 0.629286 0.758275 Ca\n0.778760 0.118956 0.250139 Ca\n0.782867 0.119261 0.754818 Ca\n0.771439 0.625862 0.254050 Ca\n0.771209 0.625042 0.756705 Ca\n0.991196 0.991636 0.253841 Mn\n0.992423 0.991237 0.755155 Mn\n0.002185 0.503815 0.247911 Mn\n0.000679 0.503021 0.747934 Mn\n0.509977 0.982961 0.232399 Mn\n0.509254 0.983642 0.734950 Mn\n0.499914 0.506721 0.252376 Mn\n0.496894 0.505845 0.750596 Mn\n0.241826 0.994418 0.007855 Mn\n0.244312 0.994438 0.512801 Mn\n0.249604 0.506919 0.003795 Mn\n0.249140 0.506788 0.505820 Mn\n0.745183 0.996921 0.995366 Mn\n0.743003 0.998127 0.496325 Mn\n0.750335 0.504814 0.001603 Mn\n0.748238 0.504979 0.502770 Mn\n0.261632 0.240239 0.948879 Mn\n0.268089 0.240145 0.470596 Mn\n0.250516 0.752113 0.004710 Mn\n0.250949 0.752017 0.505247 Mn\n0.755979 0.249681 0.004958 Mn\n0.749287 0.251048 0.506306 Mn\n0.751033 0.747304 0.000844 Mn\n0.751237 0.746983 0.501528 Mn\n0.985517 0.255466 0.259169 Mn\n0.992294 0.255344 0.759790 Mn\n0.002134 0.748585 0.251351 Mn\n0.001783 0.748238 0.750928 Mn\n0.525566 0.257820 0.258764 Mn\n0.522167 0.255711 0.753103 Mn\n0.500221 0.746909 0.253719 Mn\n0.500261 0.746358 0.753801 Mn\n0.108331 0.776372 0.106028 O\n0.107955 0.776029 0.605594 O\n0.583728 0.251330 0.097096 O\n0.580242 0.258257 0.590877 O\n0.610921 0.765581 0.112279 O\n0.610832 0.764742 0.612393 O\n0.401913 0.207470 0.354997 O\n0.406367 0.199005 0.851010 O\n0.398014 0.729295 0.399587 O\n0.398124 0.729188 0.899769 O\n0.895307 0.242471 0.415470 O\n0.911726 0.237598 0.923558 O\n0.893137 0.728535 0.392728 O\n0.893297 0.728351 0.892579 O\n0.143006 0.242583 0.343048 O\n0.166728 0.249202 0.796597 O\n0.148476 0.735176 0.354638 O\n0.147754 0.734302 0.854657 O\n0.654468 0.216987 0.353288 O\n0.657556 0.221707 0.849785 O\n0.644847 0.726059 0.358204 O\n0.644307 0.725626 0.858184 O\n0.357891 0.774482 0.149057 O\n0.357994 0.773615 0.649492 O\n0.843355 0.275984 0.154907 O\n0.848019 0.274925 0.653303 O\n0.860239 0.767891 0.141458 O\n0.860598 0.768647 0.641318 O\n0.360465 0.488911 0.142393 O\n0.354289 0.488381 0.647091 O\n0.352537 0.992230 0.158791 O\n0.349487 0.992477 0.668972 O\n0.860349 0.483426 0.140203 O\n0.857524 0.481580 0.641801 O\n0.844422 0.977465 0.145268 O\n0.845973 0.979049 0.646994 O\n0.140536 0.009869 0.368493 O\n0.139676 0.011324 0.865189 O\n0.145947 0.520188 0.356364 O\n0.146600 0.519131 0.853967 O\n0.625494 0.030303 0.342896 O\n0.630480 0.028755 0.842332 O\n0.642964 0.522765 0.358959 O\n0.641668 0.518591 0.858014 O\n0.394359 0.516801 0.396967 O\n0.392740 0.520122 0.894343 O\n0.880492 0.014997 0.389650 O\n0.885932 0.014644 0.893927 O\n0.892586 0.517107 0.393393 O\n0.893902 0.518554 0.893121 O\n0.106898 0.479975 0.104388 O\n0.106016 0.476516 0.605043 O\n0.096992 0.982047 0.117519 O\n0.098432 0.979871 0.620096 O\n0.615092 0.489346 0.116520 O\n0.608292 0.487733 0.611674 O\n0.588173 0.991010 0.077637 O\n0.584994 0.991363 0.578657 O\n0.005810 0.379183 0.281512 O\n0.008492 0.378654 0.785877 O\n-0.000009 0.870332 0.291959 O\n0.000384 0.870571 0.793147 O\n0.500653 0.378912 0.277874 O\n0.495015 0.377414 0.769304 O\n0.517996 0.869517 0.291282 O\n0.518554 0.869169 0.790806 O\n0.486302 0.627817 0.213000 O\n0.486892 0.627108 0.711866 O\n0.994686 0.132429 0.216286 O\n0.000014 0.130353 0.727996 O\n0.994578 0.625124 0.212469 O\n0.993685 0.624423 0.711031 O\n0.237598 0.128690 0.016632 O\n0.254813 0.125425 0.531760 O\n0.236481 0.632344 0.040389 O\n0.236485 0.632002 0.540561 O\n0.750757 0.123801 0.036146 O\n0.746394 0.125595 0.541568 O\n0.744630 0.625726 0.037634 O\n0.744733 0.625140 0.540685 O\n0.282026 0.356033 0.497348 O\n0.267268 0.355754 0.985833 O\n0.281662 0.881172 0.464440 O\n0.279579 0.880805 0.961623 O\n0.740649 0.376815 0.468746 O\n0.746456 0.374981 0.966796 O\n0.748145 0.872745 0.466242 O\n0.749328 0.872803 0.963783 O\n",
"nsites": 152,
"nelements": 4,
"elements": [
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"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 4.1761608367359715,
"density_atomic": 0.08241041510481865,
"volume": 1844.4270643057632,
"volume_molar": 7.307499607107157,
"formula_full": "Sr4 Ca28 Mn32 O88",
"formula_reduced": "SrCa7Mn8O22",
"formula_anonymous": "AB7C8D22",
"energy": -1172.40576886,
"energy_per_atom": -7.713195847763158,
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"updated_at": "2021-11-28T01:34:38.461000Z",
"spacegroup": 1
},
{
"id": "mp-605018",
"created_at": "2022-09-04T14:41:04.621816Z",
"structure_string": "Na4 Ag4 H64 C16 S16 N8 O40\n1.0\n11.252262 0.000000 0.000000\n0.000000 11.323609 0.000000\n0.000000 0.000000 14.221472\nNa Ag H C S N O\n4 4 64 16 16 8 40\ndirect\n0.276149 0.750000 0.000000 Na\n0.723851 0.250000 0.000000 Na\n0.776149 0.250000 0.500000 Na\n0.223851 0.750000 0.500000 Na\n0.750000 0.235396 0.750000 Ag\n0.750000 0.264604 0.250000 Ag\n0.250000 0.735396 0.750000 Ag\n0.250000 0.764604 0.250000 Ag\n0.792999 0.445634 0.636937 H\n0.949442 0.876954 0.701817 H\n0.342253 0.908489 0.623910 H\n0.792999 0.054366 0.363063 H\n0.925914 0.740621 0.112454 H\n0.425914 0.259379 0.612454 H\n0.663017 0.647123 0.669332 H\n0.707001 0.445634 0.863063 H\n0.663017 0.852877 0.330668 H\n0.036052 0.396037 0.576108 H\n0.292999 0.554366 0.136937 H\n0.371085 0.134538 0.545593 H\n0.550558 0.876954 0.798183 H\n0.207001 0.945634 0.636937 H\n0.207001 0.554366 0.363063 H\n0.827429 0.937116 0.634211 H\n0.842253 0.091511 0.123910 H\n0.836983 0.647123 0.830668 H\n0.672571 0.562884 0.134211 H\n0.157747 0.908489 0.876090 H\n0.925914 0.759379 0.887546 H\n0.657747 0.091511 0.376090 H\n0.707001 0.054366 0.136937 H\n0.425914 0.240621 0.387546 H\n0.463948 0.396037 0.923892 H\n0.163017 0.147123 0.830668 H\n0.463948 0.103963 0.076108 H\n0.128915 0.134538 0.954407 H\n0.371085 0.365462 0.454407 H\n0.157747 0.591511 0.123910 H\n0.842253 0.408489 0.876090 H\n0.172571 0.062884 0.365789 H\n0.163017 0.352877 0.169332 H\n0.836983 0.852877 0.169332 H\n0.963948 0.603963 0.423892 H\n0.536052 0.603963 0.076108 H\n0.336983 0.352877 0.330668 H\n0.342253 0.591511 0.376090 H\n0.449442 0.376954 0.798183 H\n0.292999 0.945634 0.863063 H\n0.550558 0.623046 0.201817 H\n0.050558 0.376954 0.701817 H\n0.963948 0.896037 0.576108 H\n0.574086 0.759379 0.612454 H\n0.036052 0.103963 0.423892 H\n0.871085 0.634538 0.954407 H\n0.327429 0.062884 0.134211 H\n0.050558 0.123046 0.298183 H\n0.536052 0.896037 0.923892 H\n0.074086 0.240621 0.112454 H\n0.449442 0.123046 0.201817 H\n0.827429 0.562884 0.365789 H\n0.574086 0.740621 0.387546 H\n0.128915 0.365462 0.045593 H\n0.336983 0.147123 0.669332 H\n0.327429 0.437116 0.865789 H\n0.628915 0.634538 0.545593 H\n0.949442 0.623046 0.298183 H\n0.074086 0.259379 0.887546 H\n0.672571 0.937116 0.865789 H\n0.657747 0.408489 0.623910 H\n0.871085 0.865462 0.045593 H\n0.628915 0.865462 0.454407 H\n0.172571 0.437116 0.634211 H\n0.097218 0.165286 0.885628 C\n0.924315 0.930857 0.641000 C\n0.575685 0.930857 0.859000 C\n0.424315 0.430857 0.859000 C\n0.902782 0.665286 0.885628 C\n0.902782 0.834714 0.114372 C\n0.597218 0.665286 0.614372 C\n0.597218 0.834714 0.385628 C\n0.402782 0.165286 0.614372 C\n0.575685 0.569143 0.141000 C\n0.924315 0.569143 0.359000 C\n0.075685 0.430857 0.641000 C\n0.424315 0.069143 0.141000 C\n0.097218 0.334714 0.114372 C\n0.075685 0.069143 0.359000 C\n0.402782 0.334714 0.385628 C\n0.466020 0.583904 0.641432 S\n0.980832 0.423627 0.341014 S\n0.533980 0.416096 0.358568 S\n0.966020 0.083904 0.858568 S\n0.533980 0.083904 0.641432 S\n0.033980 0.583904 0.858568 S\n0.966020 0.416096 0.141432 S\n0.519168 0.423627 0.158986 S\n0.519168 0.076373 0.841014 S\n0.480832 0.923627 0.158986 S\n0.466020 0.916096 0.358568 S\n0.480832 0.576373 0.841014 S\n0.019168 0.576373 0.658986 S\n0.980832 0.076373 0.658986 S\n0.019168 0.923627 0.341014 S\n0.033980 0.916096 0.141432 S\n0.077420 0.626931 0.755108 N\n0.922580 0.373069 0.244892 N\n0.577420 0.126931 0.744892 N\n0.422580 0.873069 0.255108 N\n0.577420 0.373069 0.255108 N\n0.422580 0.626931 0.744892 N\n0.922580 0.126931 0.755108 N\n0.077420 0.873069 0.244892 N\n0.260103 0.878280 0.623445 O\n0.063955 0.849545 0.417128 O\n0.239897 0.621720 0.123445 O\n0.436045 0.849545 0.082872 O\n0.260103 0.621720 0.376555 O\n0.889480 0.568036 0.666066 O\n0.760103 0.378280 0.876555 O\n0.626663 0.120343 0.576280 O\n0.873337 0.379657 0.076280 O\n0.502559 0.541984 0.360588 O\n0.110520 0.431964 0.333934 O\n0.497441 0.041984 0.360588 O\n0.373337 0.879657 0.423720 O\n0.563955 0.150455 0.917128 O\n0.110520 0.068036 0.666066 O\n0.610520 0.931964 0.166066 O\n0.936045 0.150455 0.582872 O\n0.889480 0.931964 0.333934 O\n0.126663 0.879657 0.076280 O\n0.873337 0.120343 0.923720 O\n0.739897 0.121720 0.376555 O\n0.502559 0.958016 0.639412 O\n0.436045 0.650455 0.917128 O\n0.002559 0.458016 0.860588 O\n0.997441 0.958016 0.860588 O\n0.760103 0.121720 0.123445 O\n0.389480 0.431964 0.166066 O\n0.239897 0.878280 0.876555 O\n0.497441 0.458016 0.639412 O\n0.373337 0.620343 0.576280 O\n0.063955 0.650455 0.582872 O\n0.389480 0.068036 0.833934 O\n0.936045 0.349545 0.417128 O\n0.997441 0.541984 0.139412 O\n0.739897 0.378280 0.623445 O\n0.626663 0.379657 0.423720 O\n0.610520 0.568036 0.833934 O\n0.563955 0.349545 0.082872 O\n0.002559 0.041984 0.139412 O\n0.126663 0.620343 0.923720 O\n",
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"elements": [
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],
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"density": 1.8741811303134779,
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"formula_full": "Na4 Ag4 H64 C16 S16 N8 O40",
"formula_reduced": "NaAgH16C4S4(NO5)2",
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"updated_at": "2021-11-28T01:34:58.542000Z",
"spacegroup": 52
},
{
"id": "mp-1195203",
"created_at": "2022-09-04T14:40:25.870010Z",
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"elements": [
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"density": 1.0476216408584704,
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"formula_full": "Mn8 B16 H112 N16",
"formula_reduced": "MnB2(H7N)2",
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"updated_at": "2021-11-28T01:34:59.620000Z",
"spacegroup": 61
},
{
"id": "mp-705159",
"created_at": "2022-09-04T14:40:10.486919Z",
"structure_string": "K16 Co16 Mo24 O96\n1.0\n8.387938 0.000000 0.000000\n0.000000 14.232453 0.000000\n0.000000 5.443970 19.361644\nK Co Mo O\n16 16 24 96\ndirect\n0.319827 0.987090 0.782517 K\n0.977200 0.289456 0.584438 K\n0.014224 0.898775 0.588155 K\n0.477200 0.710544 0.915562 K\n0.522800 0.289456 0.084438 K\n0.022800 0.710544 0.415562 K\n0.016977 0.498601 0.735553 K\n0.514224 0.101225 0.911845 K\n0.819827 0.012910 0.717483 K\n0.483023 0.498601 0.235553 K\n0.485776 0.898775 0.088155 K\n0.985776 0.101225 0.411845 K\n0.516977 0.501399 0.764447 K\n0.180173 0.987090 0.282517 K\n0.983023 0.501399 0.264447 K\n0.680173 0.012910 0.217483 K\n0.046230 0.710134 0.946721 Co\n0.375638 0.221377 0.429899 Co\n0.953770 0.289866 0.053279 Co\n0.546230 0.289866 0.553279 Co\n0.829024 0.585918 0.876028 Co\n0.067691 0.883184 0.158215 Co\n0.170976 0.414082 0.123972 Co\n0.124362 0.221377 0.929899 Co\n0.329024 0.414082 0.623972 Co\n0.567691 0.116816 0.341785 Co\n0.453770 0.710134 0.446721 Co\n0.875638 0.778623 0.070101 Co\n0.670976 0.585918 0.376028 Co\n0.624362 0.778623 0.570101 Co\n0.932309 0.116816 0.841785 Co\n0.432309 0.883184 0.658215 Co\n0.360518 0.960441 0.450137 Mo\n0.235828 0.257511 0.755885 Mo\n0.626435 0.251121 0.732173 Mo\n0.860518 0.039559 0.049863 Mo\n0.202432 0.120364 0.087662 Mo\n0.764279 0.326900 0.897493 Mo\n0.139482 0.960441 0.950137 Mo\n0.235721 0.673100 0.102507 Mo\n0.126435 0.748879 0.767827 Mo\n0.639482 0.039559 0.549863 Mo\n0.812403 0.534211 0.047060 Mo\n0.764172 0.742489 0.244115 Mo\n0.702432 0.879636 0.412338 Mo\n0.873565 0.251121 0.232173 Mo\n0.297568 0.120364 0.587662 Mo\n0.264279 0.673100 0.602507 Mo\n0.264172 0.257511 0.255885 Mo\n0.373565 0.748879 0.267827 Mo\n0.187597 0.465789 0.952940 Mo\n0.312403 0.465789 0.452940 Mo\n0.735721 0.326900 0.397493 Mo\n0.687597 0.534211 0.547060 Mo\n0.735828 0.742489 0.744115 Mo\n0.797568 0.879636 0.912338 Mo\n0.570631 0.299088 0.875690 O\n0.831660 0.766560 0.888466 O\n0.229711 0.856845 0.711937 O\n0.702550 0.833779 0.997150 O\n0.325644 0.488646 0.886491 O\n0.352962 0.091443 0.401562 O\n0.408318 0.347911 0.459469 O\n0.770289 0.143155 0.288063 O\n0.671610 0.080565 0.066018 O\n0.792496 0.704131 0.167701 O\n0.331660 0.233440 0.611534 O\n0.438242 0.342064 0.711643 O\n0.827388 0.242763 0.145995 O\n0.912522 0.836734 0.240827 O\n0.061758 0.342064 0.211643 O\n0.147038 0.091443 0.901562 O\n0.474623 0.033515 0.635444 O\n0.816597 0.451179 0.853598 O\n0.672612 0.242763 0.645995 O\n0.420251 0.172447 0.775136 O\n0.929369 0.299088 0.375690 O\n0.852962 0.908557 0.098438 O\n0.741837 0.314894 0.489679 O\n0.361071 0.063464 0.140776 O\n0.861071 0.936536 0.359224 O\n0.144968 0.354185 0.684686 O\n0.587478 0.836734 0.740827 O\n0.516422 0.160175 0.523451 O\n0.159570 0.978642 0.036735 O\n0.328390 0.919435 0.933982 O\n0.183403 0.548821 0.146402 O\n0.483578 0.839825 0.476549 O\n0.855032 0.645815 0.315314 O\n0.172612 0.757237 0.854005 O\n0.138929 0.063464 0.640776 O\n0.327388 0.757237 0.354005 O\n0.070631 0.700912 0.624310 O\n0.340430 0.978642 0.536735 O\n0.171610 0.919435 0.433982 O\n0.079749 0.172447 0.275136 O\n0.355032 0.354185 0.184686 O\n0.683403 0.451179 0.353598 O\n0.241837 0.685106 0.010321 O\n0.097153 0.766014 0.118283 O\n0.207504 0.295869 0.832299 O\n0.402847 0.766014 0.618283 O\n0.828390 0.080565 0.566018 O\n0.974623 0.966485 0.864556 O\n0.538668 0.432311 0.566016 O\n0.920251 0.827553 0.724864 O\n0.597153 0.233986 0.381717 O\n0.561758 0.657936 0.288357 O\n0.644968 0.645815 0.815314 O\n0.961332 0.432311 0.066016 O\n0.659570 0.021358 0.463265 O\n0.025377 0.033515 0.135444 O\n0.794746 0.545241 0.467859 O\n0.087478 0.163266 0.759173 O\n0.938242 0.657936 0.788357 O\n0.638929 0.936536 0.859224 O\n0.705254 0.545241 0.967859 O\n0.758163 0.314894 0.989679 O\n0.205254 0.454759 0.532141 O\n0.525377 0.966485 0.364556 O\n0.016422 0.839825 0.976549 O\n0.579749 0.827553 0.224864 O\n0.247827 0.656236 0.752193 O\n0.825644 0.511354 0.613509 O\n0.316597 0.548821 0.646402 O\n0.902847 0.233986 0.881717 O\n0.591682 0.652089 0.540531 O\n0.840430 0.021358 0.963265 O\n0.038668 0.567689 0.933984 O\n0.429369 0.700912 0.124310 O\n0.461332 0.567689 0.433984 O\n0.297450 0.166221 0.002850 O\n0.747827 0.343764 0.747807 O\n0.412522 0.163266 0.259173 O\n0.908318 0.652089 0.040531 O\n0.270289 0.856845 0.211937 O\n0.752173 0.343764 0.247807 O\n0.174356 0.488646 0.386491 O\n0.797450 0.833779 0.497150 O\n0.168340 0.233440 0.111534 O\n0.202550 0.166221 0.502850 O\n0.292496 0.295869 0.332299 O\n0.258163 0.685106 0.510321 O\n0.647038 0.908557 0.598438 O\n0.674356 0.511354 0.113509 O\n0.707504 0.704131 0.667701 O\n0.091682 0.347911 0.959469 O\n0.294746 0.454759 0.032141 O\n0.668340 0.766560 0.388466 O\n0.729711 0.143155 0.788063 O\n0.252173 0.656236 0.252193 O\n0.983578 0.160175 0.023451 O\n",
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}
]
}