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{
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"results": [
{
"id": "mp-1247639",
"created_at": "2022-09-04T14:48:08.339823Z",
"structure_string": "Sr4 Ca28 Ti12 Mn20 O92\n1.0\n10.955165 -0.003714 -0.037094\n-0.005060 15.464918 -0.016137\n-0.036422 -0.011323 10.835661\nSr Ca Ti Mn O\n4 28 12 20 92\ndirect\n0.007911 0.121282 0.504167 Sr\n0.499078 0.380037 0.995189 Sr\n0.242201 0.384649 0.254042 Sr\n0.249599 0.119616 0.264987 Sr\n0.012027 0.117412 0.995816 Ca\n0.020104 0.625915 0.498811 Ca\n0.013378 0.626487 0.994294 Ca\n0.530556 0.131812 0.507342 Ca\n0.538077 0.122488 0.972202 Ca\n0.526136 0.624645 0.497636 Ca\n0.526531 0.625790 0.994268 Ca\n0.482057 0.384426 0.508817 Ca\n0.488082 0.870371 0.996960 Ca\n0.484143 0.863982 0.513748 Ca\n0.965892 0.387649 0.998598 Ca\n0.974263 0.382227 0.505918 Ca\n0.972949 0.868666 0.002998 Ca\n0.968741 0.868503 0.505194 Ca\n0.226759 0.384749 0.734823 Ca\n0.229717 0.871211 0.247099 Ca\n0.230719 0.865571 0.748254 Ca\n0.732129 0.385521 0.245601 Ca\n0.724526 0.379734 0.745818 Ca\n0.730538 0.865761 0.247375 Ca\n0.725157 0.871180 0.744405 Ca\n0.279096 0.117427 0.738945 Ca\n0.276842 0.626849 0.261479 Ca\n0.272923 0.625612 0.751641 Ca\n0.771649 0.118223 0.251318 Ca\n0.766382 0.125622 0.753395 Ca\n0.763334 0.624917 0.251657 Ca\n0.771037 0.625522 0.755401 Ca\n0.994364 0.993879 0.247935 Ti\n0.988236 0.996267 0.757277 Ti\n0.997884 0.502647 0.250650 Ti\n0.250892 0.994873 0.994328 Ti\n0.233365 0.989996 0.513894 Ti\n0.249328 0.506296 0.004144 Ti\n0.255800 0.244714 0.963446 Ti\n0.246935 0.254970 0.505954 Ti\n0.250970 0.747680 0.002719 Ti\n0.985456 0.251475 0.266821 Ti\n0.988650 0.253181 0.750960 Ti\n0.998678 0.747854 0.251404 Ti\n0.999911 0.502037 0.749076 Mn\n0.508492 0.986916 0.242702 Mn\n0.503020 0.998330 0.748985 Mn\n0.501898 0.505824 0.251626 Mn\n0.500255 0.502730 0.747532 Mn\n0.251656 0.505396 0.501619 Mn\n0.748275 0.997153 0.998285 Mn\n0.743594 0.999473 0.499642 Mn\n0.748672 0.502862 0.999417 Mn\n0.750241 0.501674 0.502178 Mn\n0.252551 0.748188 0.500005 Mn\n0.751640 0.248904 0.000959 Mn\n0.746413 0.252079 0.502333 Mn\n0.748640 0.750475 0.999530 Mn\n0.749876 0.748088 0.501907 Mn\n0.000485 0.748825 0.750032 Mn\n0.518917 0.257240 0.264777 Mn\n0.504945 0.250813 0.744286 Mn\n0.500529 0.748666 0.252898 Mn\n0.501832 0.747571 0.751267 Mn\n0.103231 0.265243 0.597813 O\n0.108182 0.771059 0.105232 O\n0.106302 0.771900 0.603953 O\n0.592982 0.252988 0.107650 O\n0.602343 0.268665 0.593891 O\n0.605617 0.771816 0.106852 O\n0.607907 0.766689 0.607716 O\n0.397541 0.221687 0.374494 O\n0.403288 0.228773 0.898374 O\n0.396285 0.725522 0.396954 O\n0.394646 0.731542 0.894841 O\n0.892749 0.234320 0.397832 O\n0.901391 0.233778 0.898848 O\n0.894035 0.732239 0.395393 O\n0.897146 0.731891 0.895925 O\n0.144250 0.242460 0.344940 O\n0.149839 0.229452 0.838747 O\n0.146208 0.732156 0.354843 O\n0.145901 0.731259 0.854669 O\n0.655202 0.221451 0.355179 O\n0.651268 0.231120 0.855874 O\n0.646114 0.728616 0.354278 O\n0.645461 0.729087 0.855121 O\n0.350149 0.263281 0.642545 O\n0.356262 0.769495 0.144797 O\n0.355766 0.769024 0.645004 O\n0.865141 0.272238 0.141329 O\n0.853412 0.271137 0.647665 O\n0.856977 0.769568 0.143113 O\n0.857381 0.771972 0.646517 O\n0.360988 0.491843 0.139203 O\n0.355022 0.483843 0.643756 O\n0.356379 0.992401 0.155850 O\n0.357318 0.981448 0.641947 O\n0.857313 0.482684 0.142211 O\n0.856524 0.477537 0.646277 O\n0.853679 0.978846 0.143254 O\n0.855144 0.980375 0.644003 O\n0.141174 0.006863 0.362020 O\n0.146506 0.022752 0.859959 O\n0.145313 0.519714 0.356581 O\n0.146282 0.515974 0.853897 O\n0.626225 0.029476 0.358020 O\n0.648850 0.019828 0.849294 O\n0.647084 0.519905 0.355205 O\n0.643497 0.520069 0.855086 O\n0.394241 0.021703 0.895155 O\n0.395177 0.521453 0.393807 O\n0.390309 0.514658 0.890833 O\n0.883510 0.016370 0.387328 O\n0.894962 0.013864 0.897223 O\n0.895086 0.517169 0.395084 O\n0.897101 0.518110 0.896482 O\n0.105414 0.484787 0.103670 O\n0.103911 0.480605 0.606933 O\n0.107549 0.983479 0.105862 O\n0.103235 0.975910 0.610365 O\n0.613541 0.486644 0.110670 O\n0.606939 0.482634 0.604280 O\n0.604518 0.985626 0.094711 O\n0.599780 0.980177 0.599778 O\n0.008623 0.375504 0.276311 O\n0.012704 0.375608 0.785819 O\n0.007024 0.874308 0.284314 O\n0.012237 0.873784 0.789042 O\n0.497142 0.379424 0.280637 O\n0.507452 0.375315 0.771459 O\n0.507176 0.872007 0.298453 O\n0.508605 0.874434 0.784888 O\n0.495146 0.125191 0.716647 O\n0.492723 0.627356 0.209752 O\n0.489006 0.624772 0.712998 O\n0.998228 0.127746 0.216422 O\n0.987582 0.123489 0.725435 O\n0.990801 0.625955 0.213322 O\n0.987761 0.625109 0.710653 O\n0.227087 0.147586 0.053005 O\n0.252790 0.117384 0.517901 O\n0.237238 0.626024 0.037487 O\n0.235171 0.626937 0.540126 O\n0.749092 0.122608 0.036498 O\n0.746434 0.126513 0.540832 O\n0.744030 0.627194 0.036319 O\n0.743923 0.623877 0.539588 O\n0.264030 0.374733 0.475300 O\n0.250736 0.359710 0.007816 O\n0.271014 0.876116 0.459396 O\n0.263311 0.878273 0.966097 O\n0.757968 0.375653 0.460081 O\n0.749387 0.375768 0.966350 O\n0.754209 0.874076 0.462672 O\n0.756101 0.874280 0.960348 O\n",
"nsites": 156,
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"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.177007499544505,
"density_atomic": 0.08497831393812087,
"volume": 1835.7624759841126,
"volume_molar": 7.086679507886183,
"formula_full": "Sr4 Ca28 Ti12 Mn20 O92",
"formula_reduced": "SrCa7Ti3Mn5O23",
"formula_anonymous": "AB3C5D7E23",
"energy": -1248.49985897,
"energy_per_atom": -8.003204224166668,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1151.93585897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 68.0001789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.107000Z",
"spacegroup": 1
},
{
"id": "mp-1035896",
"created_at": "2022-09-04T14:48:08.320089Z",
"structure_string": "Y1 Mg14 C1 O16\n1.0\n4.289141 0.000000 0.000000\n0.000000 8.606299 0.000000\n0.000000 0.000000 8.841876\nY Mg C O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.731203 0.000000 Mg\n0.500000 0.268797 0.000000 Mg\n0.500000 0.744517 0.500000 Mg\n0.500000 0.255483 0.500000 Mg\n0.500000 0.000000 0.736470 Mg\n0.500000 0.500000 0.750146 Mg\n0.500000 0.000000 0.263530 Mg\n0.500000 0.500000 0.249854 Mg\n0.000000 0.734993 0.745235 Mg\n0.000000 0.265007 0.745235 Mg\n0.000000 0.734993 0.254765 Mg\n0.000000 0.265007 0.254765 Mg\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.741657 O\n0.000000 0.500000 0.719850 O\n0.000000 0.000000 0.258343 O\n0.000000 0.500000 0.280150 O\n0.500000 0.750671 0.753364 O\n0.500000 0.249329 0.753364 O\n0.500000 0.750671 0.246636 O\n0.500000 0.249329 0.246636 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.743226 0.000000 O\n0.000000 0.256774 0.000000 O\n0.000000 0.754801 0.500000 O\n0.000000 0.245199 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Y",
"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-O-Y",
"density": 3.5469980027774985,
"density_atomic": 0.09804349959898914,
"volume": 326.3857382782563,
"volume_molar": 6.142315181150561,
"formula_full": "Y1 Mg14 C1 O16",
"formula_reduced": "YMg14CO16",
"formula_anonymous": "ABC14D16",
"energy": -204.30639159,
"energy_per_atom": -6.3845747371875,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.975000Z",
"spacegroup": 47
},
{
"id": "mp-567248",
"created_at": "2022-09-04T14:48:08.330876Z",
"structure_string": "Yb4 Mn2 Sn5\n1.0\n2.310660 8.360104 0.000000\n-2.310660 8.360104 0.000000\n0.000000 2.305924 7.340751\nYb Mn Sn\n4 2 5\ndirect\n0.079494 0.079494 0.136794 Yb\n0.150263 0.150263 0.562422 Yb\n0.920506 0.920506 0.863206 Yb\n0.849737 0.849737 0.437578 Yb\n0.723992 0.723992 0.888639 Mn\n0.276008 0.276008 0.111361 Mn\n0.570756 0.570756 0.838646 Sn\n0.695939 0.695939 0.255899 Sn\n0.500000 0.500000 0.500000 Sn\n0.429244 0.429244 0.161354 Sn\n0.304061 0.304061 0.744101 Sn\n",
"nsites": 11,
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"elements": [
"Yb",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Yb",
"density": 8.17123149701394,
"density_atomic": 0.03878595329222986,
"volume": 283.60782877041396,
"volume_molar": 15.526602413576459,
"formula_full": "Yb4 Mn2 Sn5",
"formula_reduced": "Yb4Mn2Sn5",
"formula_anonymous": "A2B4C5",
"energy": -49.13647216,
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"updated_at": "2021-11-28T01:38:23.750000Z",
"spacegroup": 12
},
{
"id": "mp-792972",
"created_at": "2022-09-04T14:48:08.378571Z",
"structure_string": "Mn3 Cu2 Sn1 P6 O24\n1.0\n7.464026 -4.276718 0.000000\n7.464026 4.276718 0.000000\n5.013564 0.000000 6.990435\nMn Cu Sn P O\n3 2 1 6 24\ndirect\n0.143266 0.143266 0.143266 Mn\n0.357238 0.357238 0.357238 Mn\n0.642607 0.642607 0.642607 Mn\n0.002444 0.002444 0.002444 Cu\n0.499495 0.499495 0.499495 Cu\n0.857284 0.857284 0.857284 Sn\n0.043459 0.452541 0.747388 P\n0.452541 0.747388 0.043459 P\n0.747388 0.043459 0.452541 P\n0.962328 0.535806 0.254971 P\n0.254971 0.962328 0.535806 P\n0.535806 0.254971 0.962328 P\n0.502006 0.309704 0.124002 O\n0.124002 0.502006 0.309704 O\n0.258669 0.916037 0.059439 O\n0.309704 0.124002 0.502006 O\n0.611079 0.800418 0.019824 O\n0.437297 0.578490 0.240306 O\n0.916037 0.059439 0.258669 O\n0.578490 0.240306 0.437297 O\n0.991934 0.380602 0.195592 O\n0.240306 0.437297 0.578490 O\n0.947644 0.734762 0.089000 O\n0.195592 0.991934 0.380602 O\n0.800418 0.019824 0.611079 O\n0.059439 0.258669 0.916037 O\n0.765255 0.552156 0.420991 O\n0.019824 0.611079 0.800418 O\n0.420991 0.765255 0.552156 O\n0.089000 0.947644 0.734762 O\n0.552156 0.420991 0.765255 O\n0.380602 0.195592 0.991934 O\n0.696521 0.879555 0.489887 O\n0.734762 0.089000 0.947644 O\n0.879555 0.489887 0.696521 O\n0.489887 0.696521 0.879555 O\n",
"nsites": 36,
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"elements": [
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"Cu",
"Sn",
"P",
"O"
],
"chemical_system": "Cu-Mn-O-P-Sn",
"density": 3.6479936277047615,
"density_atomic": 0.08066488987300216,
"volume": 446.2908219013002,
"volume_molar": 7.465628192738113,
"formula_full": "Mn3 Cu2 Sn1 P6 O24",
"formula_reduced": "Mn3Cu2Sn(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -271.07933621,
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"updated_at": "2021-11-28T01:38:30.350000Z",
"spacegroup": 146
},
{
"id": "mp-1211940",
"created_at": "2022-09-04T14:48:08.412036Z",
"structure_string": "K8 Li8 W8 O40\n1.0\n7.733018 0.000000 0.000000\n0.000000 10.991453 0.000000\n0.000000 0.000000 12.659719\nK Li W O\n8 8 8 40\ndirect\n0.194368 0.795707 0.872687 K\n0.805632 0.204293 0.127313 K\n0.305632 0.295707 0.127313 K\n0.805632 0.704293 0.372687 K\n0.694368 0.704293 0.872687 K\n0.194368 0.295707 0.627313 K\n0.694368 0.204293 0.627313 K\n0.305632 0.795707 0.372687 K\n0.008943 0.582093 0.674658 Li\n0.991057 0.417907 0.325342 Li\n0.491057 0.082093 0.325342 Li\n0.991057 0.917907 0.174658 Li\n0.508943 0.917907 0.674658 Li\n0.008943 0.082093 0.825342 Li\n0.508943 0.417907 0.825342 Li\n0.491057 0.582093 0.174658 Li\n0.438070 0.621910 0.624187 W\n0.561930 0.378090 0.375813 W\n0.061930 0.121910 0.375813 W\n0.561930 0.878090 0.124187 W\n0.938070 0.878090 0.624187 W\n0.438070 0.121910 0.875813 W\n0.938070 0.378090 0.875813 W\n0.061930 0.621910 0.124187 W\n0.222735 0.561881 0.597896 O\n0.777265 0.438119 0.402104 O\n0.277265 0.061881 0.402104 O\n0.777265 0.938119 0.097896 O\n0.722735 0.938119 0.597896 O\n0.222735 0.061881 0.902104 O\n0.722735 0.438119 0.902104 O\n0.277265 0.561881 0.097896 O\n0.036215 0.834329 0.501456 O\n0.963785 0.165671 0.498544 O\n0.463785 0.334329 0.498544 O\n0.963785 0.665671 0.001456 O\n0.536215 0.665671 0.501456 O\n0.036215 0.334329 0.998544 O\n0.536215 0.165671 0.998544 O\n0.463785 0.834329 0.001456 O\n0.069713 0.988965 0.696998 O\n0.930287 0.011035 0.303002 O\n0.430287 0.488965 0.303002 O\n0.930287 0.511035 0.196998 O\n0.569713 0.511035 0.696998 O\n0.069713 0.488965 0.803002 O\n0.569713 0.011035 0.803002 O\n0.430287 0.988965 0.196998 O\n0.341168 0.546856 0.890652 O\n0.658832 0.453144 0.109348 O\n0.158832 0.046856 0.109348 O\n0.658832 0.953144 0.390652 O\n0.841168 0.953144 0.890652 O\n0.341168 0.046856 0.609348 O\n0.841168 0.453144 0.609348 O\n0.158832 0.546856 0.390652 O\n0.421806 0.756735 0.707620 O\n0.578194 0.243265 0.292380 O\n0.078194 0.256735 0.292380 O\n0.578194 0.743265 0.207620 O\n0.921806 0.743265 0.707620 O\n0.421806 0.256735 0.792380 O\n0.921806 0.243265 0.792380 O\n0.078194 0.756735 0.207620 O\n",
"nsites": 64,
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"elements": [
"K",
"Li",
"W",
"O"
],
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"density": 3.825597297012046,
"density_atomic": 0.059477373188317036,
"volume": 1076.039451126455,
"volume_molar": 10.12509537186977,
"formula_full": "K8 Li8 W8 O40",
"formula_reduced": "KLiWO5",
"formula_anonymous": "ABCD5",
"energy": -438.22938358,
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"updated_at": "2021-11-28T01:38:28.055000Z",
"spacegroup": 61
},
{
"id": "mp-1228906",
"created_at": "2022-09-04T14:48:08.415784Z",
"structure_string": "Al1 Cr1 Fe2\n1.0\n2.822781 0.000000 0.000000\n0.000000 2.822781 0.000000\n0.000000 0.000000 5.725798\nAl Cr Fe\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.241164 Fe\n0.500000 0.500000 0.758836 Fe\n",
"nsites": 4,
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],
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"volume": 45.623688523800745,
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"formula_full": "Al1 Cr1 Fe2",
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"updated_at": "2021-11-28T01:38:26.623000Z",
"spacegroup": 123
},
{
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