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{
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"results": [
{
"id": "mp-1233688",
"created_at": "2022-09-04T14:39:12.421956Z",
"structure_string": "Sr8 Mg1 P4 I4 O16\n1.0\n-0.101708 -0.009159 -9.225762\n0.040062 -8.945494 -0.041373\n-8.889762 0.032775 3.654445\nSr Mg P I O\n8 1 4 4 16\ndirect\n0.952681 0.803520 0.839154 Sr\n0.754234 0.290952 0.294832 Sr\n0.010102 0.188128 0.096353 Sr\n0.469762 0.699235 0.863583 Sr\n0.442305 0.838538 0.222909 Sr\n0.039110 0.330065 0.753639 Sr\n0.522754 0.180775 0.769871 Sr\n0.958191 0.679658 0.222881 Sr\n0.390064 0.302834 0.202065 Mg\n0.219890 0.568639 0.020843 P\n0.247468 0.057225 0.944256 P\n0.760192 0.455372 0.941080 P\n0.732832 0.949156 0.043817 P\n0.165576 0.311192 0.462948 I\n0.290259 0.823641 0.500276 I\n0.803188 0.604350 0.495628 I\n0.734414 0.050513 0.546149 I\n0.142499 0.584901 0.847050 O\n0.295275 0.090767 0.117772 O\n0.839480 0.429619 0.115812 O\n0.635118 0.933948 0.873312 O\n0.793106 0.619640 0.913942 O\n0.727536 0.114576 0.092536 O\n0.187416 0.404113 0.057946 O\n0.302549 0.897036 0.930246 O\n0.308734 0.176466 0.864469 O\n0.147393 0.685751 0.097011 O\n0.673176 0.833881 0.130412 O\n0.831011 0.334478 0.866018 O\n0.909183 0.915402 0.074424 O\n0.580890 0.432998 0.882013 O\n0.064501 0.070288 0.877578 O\n0.397236 0.599487 0.074890 O\n",
"nsites": 33,
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"elements": [
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"P",
"I",
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],
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"density": 3.633867087375608,
"density_atomic": 0.04477771159818428,
"volume": 736.9737939296152,
"volume_molar": 13.4489694650769,
"formula_full": "Sr8 Mg1 P4 I4 O16",
"formula_reduced": "Sr8MgP4(IO4)4",
"formula_anonymous": "AB4C4D8E16",
"energy": -218.25904445,
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"updated_at": "2021-11-28T01:34:41.179000Z",
"spacegroup": 1
},
{
"id": "mp-1177861",
"created_at": "2022-09-04T14:39:12.547681Z",
"structure_string": "Li8 Ti4 Co12 O32\n1.0\n8.101266 0.000000 0.000000\n-0.008888 8.457981 0.000000\n-0.014470 -0.026651 8.530652\nLi Ti Co O\n8 4 12 32\ndirect\n0.006699 0.001060 0.999680 Li\n0.743852 0.751177 0.750930 Li\n0.254689 0.751876 0.246640 Li\n0.994108 0.497009 0.500196 Li\n0.494965 0.502928 0.997037 Li\n0.754836 0.249748 0.254024 Li\n0.243261 0.248595 0.751542 Li\n0.506800 0.997904 0.500357 Li\n0.124785 0.869340 0.623725 Ti\n0.873220 0.635076 0.112181 Ti\n0.371314 0.365810 0.387527 Ti\n0.628487 0.125722 0.878303 Ti\n0.870615 0.877923 0.377251 Co\n0.618964 0.870676 0.123440 Co\n0.374275 0.879949 0.871352 Co\n0.624254 0.620846 0.371028 Co\n0.383687 0.630495 0.628924 Co\n0.130994 0.625563 0.879073 Co\n0.628893 0.375079 0.624510 Co\n0.881622 0.370664 0.871421 Co\n0.124807 0.379091 0.128266 Co\n0.875319 0.120778 0.626818 Co\n0.121800 0.125456 0.375852 Co\n0.370029 0.121939 0.119972 Co\n0.881689 0.897196 0.619452 O\n0.113204 0.880738 0.393839 O\n0.382417 0.884639 0.095470 O\n0.864036 0.860981 0.133480 O\n0.606382 0.890516 0.883636 O\n0.632169 0.852841 0.358564 O\n0.365741 0.872543 0.646303 O\n0.142411 0.868692 0.857917 O\n0.849184 0.632428 0.362214 O\n0.638273 0.630751 0.129013 O\n0.366516 0.654420 0.865034 O\n0.399345 0.613355 0.381843 O\n0.137879 0.642816 0.630412 O\n0.614810 0.608317 0.618740 O\n0.886927 0.618796 0.889683 O\n0.113704 0.615474 0.117303 O\n0.615441 0.391829 0.383310 O\n0.384171 0.382209 0.608992 O\n0.115199 0.390275 0.889425 O\n0.639138 0.356941 0.869479 O\n0.901173 0.387512 0.118852 O\n0.868104 0.345742 0.635864 O\n0.136447 0.368468 0.365525 O\n0.348581 0.369841 0.137084 O\n0.642596 0.132192 0.641277 O\n0.867182 0.128810 0.855219 O\n0.135387 0.137379 0.143214 O\n0.104906 0.111798 0.613607 O\n0.369015 0.142076 0.366121 O\n0.881293 0.111828 0.402004 O\n0.611122 0.119798 0.107379 O\n0.383145 0.104094 0.879556 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.165173780311843,
"density_atomic": 0.09580456513536156,
"volume": 584.5232940714047,
"volume_molar": 6.285859918565845,
"formula_full": "Li8 Ti4 Co12 O32",
"formula_reduced": "Li2TiCo3O8",
"formula_anonymous": "AB2C3D8",
"energy": -398.15658791,
"energy_per_atom": -7.109939069821428,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -356.51658791,
"band_gap": 0.0011000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0568208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.688000Z",
"spacegroup": 1
},
{
"id": "mp-1210589",
"created_at": "2022-09-04T14:39:12.505023Z",
"structure_string": "Na2 Ca5 Ti1 Si4 O16 F2\n1.0\n5.775717 0.000000 0.000000\n-0.010849 7.453219 0.000000\n-2.001392 -1.904523 9.405601\nNa Ca Ti Si O F\n2 5 1 4 16 2\ndirect\n0.560288 0.588640 0.380634 Na\n0.062320 0.830331 0.384245 Na\n0.845939 0.422731 0.747923 Ca\n0.563440 0.091206 0.390680 Ca\n0.275942 0.241611 0.017528 Ca\n0.281180 0.739997 0.022039 Ca\n0.847455 0.923626 0.747131 Ca\n0.044767 0.342425 0.398619 Ti\n0.318827 0.684095 0.670741 Si\n0.815765 0.548059 0.108378 Si\n0.814896 0.979511 0.099151 Si\n0.311056 0.115469 0.663709 Si\n0.992112 0.477334 0.001329 O\n0.128873 0.186648 0.767144 O\n0.589060 0.171630 0.724323 O\n0.536204 0.000228 0.033384 O\n0.847363 0.775758 0.144518 O\n0.888074 0.118282 0.257265 O\n0.536193 0.491872 0.049218 O\n0.236203 0.164103 0.503775 O\n0.594878 0.670701 0.744477 O\n0.997147 0.993375 0.995438 O\n0.298916 0.279012 0.268598 O\n0.810822 0.352398 0.495219 O\n0.897947 0.501287 0.268777 O\n0.131573 0.667347 0.771831 O\n0.252444 0.545452 0.512777 O\n0.278141 0.887655 0.626044 O\n0.366328 0.822181 0.267071 F\n0.756649 0.874236 0.501935 F\n",
"nsites": 30,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Ti",
"Si",
"O",
"F"
],
"chemical_system": "Ca-F-Na-O-Si-Ti",
"density": 2.8731722048268553,
"density_atomic": 0.0740943198078614,
"volume": 404.88933669672485,
"volume_molar": 8.127668592702367,
"formula_full": "Na2 Ca5 Ti1 Si4 O16 F2",
"formula_reduced": "Na2Ca5TiSi4(O8F)2",
"formula_anonymous": "AB2C2D4E5F16",
"energy": -222.55991356,
"energy_per_atom": -7.418663785333334,
"energy_above_hull": null,
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"energy_uncorrected": -210.64391356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0013701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.570000Z",
"spacegroup": 1
},
{
"id": "mp-1235734",
"created_at": "2022-09-04T14:39:12.650679Z",
"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n5.734577 -0.400807 -1.245758\n-1.496568 5.266701 -2.116528\n0.407490 -0.207083 6.885920\nK Li H Se O\n2 1 2 2 6\ndirect\n0.366573 0.712632 0.216582 K\n0.748345 0.351724 0.868187 K\n0.366199 0.503366 0.567509 Li\n0.250338 0.132736 0.085746 H\n0.664522 0.858449 0.786939 H\n0.921119 0.144042 0.305312 Se\n0.109587 0.837975 0.696205 Se\n0.274389 0.147127 0.944824 O\n0.759562 0.876657 0.059425 O\n0.935744 0.419146 0.268477 O\n0.152610 0.601011 0.769758 O\n0.227975 0.153675 0.320765 O\n0.610537 0.813544 0.628789 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"K",
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-K-Li-O-Se",
"density": 2.7768191785867224,
"density_atomic": 0.0637380080398317,
"volume": 203.95993536346361,
"volume_molar": 9.448272616609843,
"formula_full": "K2 Li1 H2 Se2 O6",
"formula_reduced": "K2LiH2(SeO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy": -66.83007952,
"energy_per_atom": -5.1407753476923075,
"energy_above_hull": null,
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"energy_uncorrected": -62.708079520000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.203000Z",
"spacegroup": 1
},
{
"id": "mp-1175783",
"created_at": "2022-09-04T14:39:12.713479Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.069826 0.000000 0.000000\n-1.809922 7.552493 0.000000\n-1.606918 -1.424759 7.515485\nLi Mn Co O\n9 2 5 16\ndirect\n0.496531 0.748167 0.742510 Li\n0.012568 0.379942 0.134164 Li\n0.500768 0.991874 0.496783 Li\n0.989950 0.869438 0.618580 Li\n0.502418 0.502350 0.008072 Li\n0.999416 0.124589 0.373291 Li\n0.997577 0.624985 0.875772 Li\n0.500427 0.256833 0.253895 Li\n0.500890 0.623887 0.375788 Li\n0.999705 0.000005 0.000511 Mn\n0.001694 0.500843 0.496519 Mn\n0.002952 0.250206 0.748097 Co\n0.494294 0.864576 0.129944 Co\n0.502293 0.126576 0.875843 Co\n0.992042 0.749411 0.258571 Co\n0.499947 0.383036 0.617760 Co\n0.766118 0.765982 0.004585 O\n0.236510 0.382026 0.390312 O\n0.765233 0.004699 0.768010 O\n0.249821 0.897008 0.883140 O\n0.775069 0.502034 0.265318 O\n0.254836 0.141668 0.635962 O\n0.254270 0.645281 0.126234 O\n0.759955 0.262958 0.506433 O\n0.226514 0.735249 0.495888 O\n0.743245 0.356145 0.867284 O\n0.237133 0.997850 0.228691 O\n0.759059 0.870795 0.361922 O\n0.234805 0.494867 0.733420 O\n0.751934 0.105816 0.111234 O\n0.755582 0.604099 0.621022 O\n0.236442 0.236802 0.994446 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.172034361697573,
"density_atomic": 0.11120122724678376,
"volume": 287.7666082675857,
"volume_molar": 5.41553444067244,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.95167529,
"energy_per_atom": -6.5297398528125,
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"updated_at": "2021-11-28T01:34:44.131000Z",
"spacegroup": 1
},
{
"id": "mp-1076871",
"created_at": "2022-09-04T14:39:12.630437Z",
"structure_string": "La28 Sm4 Co24 Cu8 O80\n1.0\n0.000450 0.004796 10.810828\n11.461355 0.008076 0.000320\n-5.719529 16.032915 -5.397840\nLa Sm Co Cu O\n28 4 24 8 80\ndirect\n0.302045 0.065222 0.111066 La\n0.308353 0.065276 0.610246 La\n0.307884 0.565508 0.610687 La\n0.804439 0.066354 0.610906 La\n0.805305 0.567908 0.110895 La\n0.807621 0.565391 0.611077 La\n0.197133 0.433430 0.388665 La\n0.193065 0.435444 0.890478 La\n0.197259 0.933940 0.387267 La\n0.194259 0.932697 0.888912 La\n0.696712 0.434768 0.389151 La\n0.693109 0.933387 0.388722 La\n0.694871 0.932678 0.889625 La\n0.053821 0.294797 0.111634 La\n0.057736 0.294949 0.610979 La\n0.057310 0.796482 0.610859 La\n0.560180 0.294231 0.111537 La\n0.559095 0.295960 0.613101 La\n0.553798 0.795336 0.111941 La\n0.557688 0.796041 0.610618 La\n0.447075 0.204006 0.389115 La\n0.449078 0.206608 0.889211 La\n0.445723 0.704109 0.386743 La\n0.445308 0.704457 0.888744 La\n0.945342 0.202357 0.387116 La\n0.941679 0.206046 0.888759 La\n0.946404 0.704899 0.388074 La\n0.944042 0.704398 0.889372 La\n0.300429 0.569347 0.109028 Sm\n0.802744 0.067472 0.108731 Sm\n0.693652 0.433035 0.892026 Sm\n0.053421 0.790979 0.109515 Sm\n0.004890 0.999782 0.499444 Co\n0.005486 0.499859 0.499864 Co\n0.505308 0.500021 0.499853 Co\n0.255693 0.251529 0.001377 Co\n0.255027 0.249469 0.499292 Co\n0.255533 0.750101 0.499836 Co\n0.754872 0.249720 0.499579 Co\n0.755070 0.750066 0.500110 Co\n0.105051 0.092926 0.250159 Co\n0.108918 0.096592 0.751149 Co\n0.110544 0.596777 0.251000 Co\n0.107188 0.592849 0.748209 Co\n0.610567 0.095113 0.251599 Co\n0.608816 0.095889 0.751377 Co\n0.605811 0.595443 0.250659 Co\n0.608209 0.593032 0.749536 Co\n0.357160 0.405316 0.247733 Co\n0.358755 0.404279 0.748362 Co\n0.354056 0.903735 0.247382 Co\n0.357218 0.904274 0.747936 Co\n0.859291 0.405266 0.251662 Co\n0.854884 0.404372 0.748996 Co\n0.859883 0.906564 0.249859 Co\n0.857431 0.904440 0.748290 Co\n0.003447 0.999514 0.001901 Cu\n0.002726 0.500441 0.000587 Cu\n0.503739 0.000330 0.001036 Cu\n0.503686 0.999894 0.499704 Cu\n0.503125 0.500819 0.000643 Cu\n0.253361 0.750657 0.001224 Cu\n0.753808 0.249897 0.000227 Cu\n0.753961 0.750705 0.001432 Cu\n0.120065 0.118929 0.483618 O\n0.118172 0.118968 0.985607 O\n0.119711 0.618715 0.483368 O\n0.121015 0.622900 0.991013 O\n0.620091 0.120127 0.486088 O\n0.623062 0.120705 0.989628 O\n0.620434 0.619250 0.484061 O\n0.620489 0.616256 0.984816 O\n0.135722 0.385384 0.016593 O\n0.136247 0.381185 0.515727 O\n0.131864 0.878018 0.016506 O\n0.136459 0.881119 0.515640 O\n0.632610 0.379036 0.010256 O\n0.636091 0.380612 0.515435 O\n0.636391 0.883985 0.015528 O\n0.633877 0.879704 0.513525 O\n0.370921 0.115336 0.485468 O\n0.372031 0.115242 0.985999 O\n0.370102 0.615043 0.483928 O\n0.370208 0.615802 0.989017 O\n0.870027 0.115196 0.484131 O\n0.869884 0.114833 0.990640 O\n0.870748 0.614908 0.484250 O\n0.869084 0.612694 0.985786 O\n0.385432 0.390579 0.017731 O\n0.385579 0.384056 0.514667 O\n0.382734 0.883466 0.011867 O\n0.385538 0.884152 0.513892 O\n0.880050 0.384240 0.009883 O\n0.886665 0.385055 0.515870 O\n0.886470 0.887229 0.018848 O\n0.885954 0.884476 0.515576 O\n0.101044 0.118954 0.148141 O\n0.089928 0.109031 0.641028 O\n0.106028 0.619095 0.147802 O\n0.087858 0.608488 0.639141 O\n0.606901 0.116118 0.148159 O\n0.596660 0.116539 0.646775 O\n0.602616 0.617943 0.147677 O\n0.587979 0.607727 0.639683 O\n0.447101 0.391037 0.358215 O\n0.458608 0.384416 0.852248 O\n0.447109 0.884005 0.352457 O\n0.451627 0.882502 0.852219 O\n0.948373 0.390954 0.360984 O\n0.953746 0.384354 0.853132 O\n0.950023 0.892526 0.359811 O\n0.950352 0.882531 0.852835 O\n0.339821 0.280285 0.138629 O\n0.337344 0.280856 0.638655 O\n0.346359 0.779329 0.143248 O\n0.337515 0.781553 0.638278 O\n0.845390 0.279967 0.146120 O\n0.836315 0.282250 0.639222 O\n0.856973 0.781028 0.146212 O\n0.836651 0.781342 0.638672 O\n0.197189 0.215840 0.360193 O\n0.201825 0.219057 0.862010 O\n0.198393 0.720005 0.360962 O\n0.200122 0.716357 0.854291 O\n0.698156 0.218638 0.361382 O\n0.700590 0.221361 0.856433 O\n0.697210 0.717470 0.360496 O\n0.701059 0.718800 0.854900 O\n0.420303 0.071148 0.249930 O\n0.418894 0.070841 0.749888 O\n0.414544 0.569500 0.244364 O\n0.418655 0.570952 0.749009 O\n0.913826 0.071868 0.245358 O\n0.920583 0.071077 0.750005 O\n0.921562 0.569717 0.250113 O\n0.918864 0.570026 0.749534 O\n0.170237 0.429901 0.250694 O\n0.170637 0.427947 0.750185 O\n0.163323 0.924341 0.244563 O\n0.169543 0.930205 0.749837 O\n0.669422 0.429867 0.250729 O\n0.670041 0.429981 0.755669 O\n0.671288 0.928702 0.250616 O\n0.669597 0.929186 0.749716 O\n",
"nsites": 144,
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"elements": [
"La",
"Sm",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-La-O-Sm",
"density": 6.428241848508238,
"density_atomic": 0.07245712349769441,
"volume": 1987.38223446839,
"volume_molar": 8.31131636103609,
"formula_full": "La28 Sm4 Co24 Cu8 O80",
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