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{
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"results": [
{
"id": "mp-1246836",
"created_at": "2022-09-04T14:48:29.897230Z",
"structure_string": "Sr2 Pd1 N2\n1.0\n1.175583 -2.457900 2.723908\n1.175583 -2.457900 -2.723908\n4.716582 5.276050 0.000000\nSr Pd N\n2 1 2\ndirect\n0.150051 0.650051 0.800102 Sr\n0.849949 0.349949 0.199898 Sr\n0.500000 0.000000 0.500000 Pd\n0.648622 0.148622 0.797244 N\n0.351378 0.851378 0.202756 N\n",
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"Pd",
"N"
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"density": 5.30425907778795,
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"volume": 96.94563765563598,
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"formula_full": "Sr2 Pd1 N2",
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},
{
"id": "mp-1213958",
"created_at": "2022-09-04T14:48:30.016649Z",
"structure_string": "Ce8 Fe2\n1.0\n0.000000 5.113732 5.113732\n5.113732 0.000000 5.113732\n5.113732 5.113732 0.000000\nCe Fe\n8 2\ndirect\n0.385777 0.385777 0.385777 Ce\n0.385777 0.385777 0.842669 Ce\n0.385777 0.842669 0.385777 Ce\n0.864223 0.864223 0.407331 Ce\n0.864223 0.864223 0.864223 Ce\n0.842669 0.385777 0.385777 Ce\n0.864223 0.407331 0.864223 Ce\n0.407331 0.864223 0.864223 Ce\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 10,
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"elements": [
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"Fe"
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"density": 7.65303528713655,
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"volume": 267.45079127424106,
"volume_molar": 16.106263114268593,
"formula_full": "Ce8 Fe2",
"formula_reduced": "Ce4Fe",
"formula_anonymous": "AB4",
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"updated_at": "2021-11-28T01:39:48.066000Z",
"spacegroup": 227
},
{
"id": "mp-775304",
"created_at": "2022-09-04T14:48:30.023823Z",
"structure_string": "Na9 Li1 Fe10 Si20 O60\n1.0\n9.808619 0.000000 0.000000\n-1.644373 10.252673 0.000000\n-1.615594 -1.225061 11.066072\nNa Li Fe Si O\n9 1 10 20 60\ndirect\n0.990663 0.712687 0.981351 Na\n0.809385 0.487381 0.618742 Na\n0.790694 0.912604 0.581341 Na\n0.609500 0.687483 0.218655 Na\n0.390552 0.312631 0.781280 Na\n0.209287 0.087364 0.418637 Na\n0.409287 0.887420 0.818760 Na\n0.190571 0.512432 0.381186 Na\n0.009436 0.287342 0.018725 Na\n0.592746 0.121017 0.185506 Li\n0.870088 0.230852 0.740542 Fe\n0.929663 0.969056 0.859730 Fe\n0.729572 0.168640 0.458628 Fe\n0.670141 0.430630 0.340287 Fe\n0.529544 0.368105 0.059735 Fe\n0.470333 0.631131 0.940712 Fe\n0.329744 0.569016 0.659509 Fe\n0.270442 0.831100 0.540318 Fe\n0.070204 0.030802 0.140397 Fe\n0.129867 0.769155 0.259397 Fe\n0.924336 0.275580 0.268606 Si\n0.860815 0.518636 0.140561 Si\n0.939068 0.681150 0.459466 Si\n0.874729 0.923530 0.330837 Si\n0.738659 0.881665 0.060272 Si\n0.725358 0.476479 0.869305 Si\n0.674096 0.123182 0.932284 Si\n0.660863 0.718751 0.740424 Si\n0.539222 0.081449 0.660054 Si\n0.525360 0.676671 0.469040 Si\n0.474745 0.323584 0.530611 Si\n0.461644 0.919626 0.339167 Si\n0.339605 0.280252 0.259281 Si\n0.326067 0.877203 0.069175 Si\n0.274853 0.523517 0.130730 Si\n0.260843 0.118784 0.940358 Si\n0.125313 0.076422 0.669272 Si\n0.060673 0.318649 0.540337 Si\n0.139102 0.481290 0.859571 Si\n0.074645 0.723589 0.730664 Si\n0.948380 0.155954 0.176207 O\n0.949759 0.408475 0.195957 O\n0.971115 0.064531 0.712702 O\n0.950151 0.664959 0.181005 O\n0.852427 0.043797 0.423796 O\n0.902612 0.291215 0.575866 O\n0.896620 0.908867 0.023987 O\n0.952470 0.701711 0.609408 O\n0.849814 0.534620 0.418862 O\n0.768208 0.261172 0.309251 O\n0.828041 0.135640 0.887962 O\n0.849873 0.791186 0.404340 O\n0.650798 0.241414 0.027183 O\n0.847383 0.497889 0.990597 O\n0.702677 0.491150 0.176152 O\n0.696809 0.108642 0.623535 O\n0.752680 0.901434 0.210006 O\n0.747934 0.356117 0.776624 O\n0.649835 0.735158 0.018993 O\n0.750101 0.608715 0.795776 O\n0.629001 0.335618 0.487240 O\n0.649035 0.991983 0.006769 O\n0.750007 0.865147 0.781026 O\n0.551189 0.066553 0.376830 O\n0.647423 0.698185 0.590402 O\n0.498103 0.304126 0.223413 O\n0.552817 0.102182 0.810134 O\n0.547904 0.556122 0.376367 O\n0.550089 0.809245 0.395557 O\n0.571350 0.463877 0.912818 O\n0.429043 0.535377 0.087503 O\n0.450004 0.191258 0.604133 O\n0.452062 0.443780 0.623355 O\n0.449130 0.900591 0.189531 O\n0.502863 0.691170 0.775992 O\n0.352840 0.301824 0.409241 O\n0.449979 0.935159 0.619149 O\n0.249238 0.134537 0.219063 O\n0.349886 0.008838 0.995139 O\n0.371243 0.664512 0.512514 O\n0.251210 0.391129 0.204285 O\n0.349810 0.265302 0.980762 O\n0.252156 0.643754 0.223469 O\n0.247450 0.098234 0.790384 O\n0.303820 0.891754 0.375717 O\n0.297115 0.508776 0.823978 O\n0.152572 0.501787 0.009543 O\n0.348081 0.756256 0.976780 O\n0.150029 0.208682 0.595652 O\n0.171735 0.864496 0.112718 O\n0.228812 0.735556 0.687310 O\n0.150128 0.464932 0.580843 O\n0.046078 0.298079 0.390324 O\n0.102757 0.091255 0.975887 O\n0.097177 0.708791 0.423941 O\n0.147974 0.956158 0.576548 O\n0.049759 0.334919 0.818968 O\n0.028898 0.935432 0.287493 O\n0.049873 0.591287 0.804189 O\n0.051959 0.843829 0.823373 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
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"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-Na-O-Si",
"density": 3.4229371254496095,
"density_atomic": 0.08985899082706049,
"volume": 1112.8546968934534,
"volume_molar": 6.7017676301195115,
"formula_full": "Na9 Li1 Fe10 Si20 O60",
"formula_reduced": "Na9LiFe10(SiO3)20",
"formula_anonymous": "AB9C10D20E60",
"energy": -777.01227776,
"energy_per_atom": -7.770122777599999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -713.23227776,
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"total_magnetization": 50.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.394000Z",
"spacegroup": 1
},
{
"id": "mp-23501",
"created_at": "2022-09-04T14:48:30.027534Z",
"structure_string": "Fe2 Bi2 O6\n1.0\n-2.807861 -4.863267 -0.000345\n5.615629 0.000054 0.000336\n2.808110 1.621277 4.694103\nFe Bi O\n2 2 6\ndirect\n0.219028 0.780969 0.657065 Fe\n0.719032 0.280970 0.157070 Fe\n0.498595 0.501425 0.495716 Bi\n0.998575 0.001404 0.995717 Bi\n0.436045 0.111857 0.359395 O\n0.035218 0.563986 0.359413 O\n0.888122 0.964774 0.359409 O\n0.388142 0.063955 0.859394 O\n0.535228 0.611880 0.859409 O\n0.936013 0.464780 0.859414 O\n",
"nsites": 10,
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"elements": [
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O",
"density": 8.104437582714585,
"density_atomic": 0.0780089224735725,
"volume": 128.19046440985971,
"volume_molar": 7.719810207659457,
"formula_full": "Fe2 Bi2 O6",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy": -71.13564488,
"energy_per_atom": -7.113564488,
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"updated_at": "2021-11-28T01:39:49.271000Z",
"spacegroup": 161
},
{
"id": "mp-763182",
"created_at": "2022-09-04T14:48:30.104072Z",
"structure_string": "Li8 V4 O8 F4\n1.0\n3.032216 0.000000 0.000000\n0.000000 7.371425 0.000000\n0.000000 0.279396 10.335608\nLi V O F\n8 4 8 4\ndirect\n0.500000 0.872773 0.677154 Li\n0.500000 0.842369 0.171499 Li\n0.500000 0.159092 0.334564 Li\n0.500000 0.128199 0.812254 Li\n0.000000 0.841792 0.420148 Li\n0.000000 0.880164 0.915012 Li\n0.000000 0.156665 0.086272 Li\n0.000000 0.134404 0.591825 Li\n0.500000 0.499419 0.007153 V\n0.500000 0.498033 0.496368 V\n0.000000 0.500737 0.251029 V\n0.000000 0.481507 0.740110 V\n0.500000 0.345206 0.666041 O\n0.500000 0.346878 0.169428 O\n0.500000 0.652084 0.331282 O\n0.000000 0.347746 0.414775 O\n0.000000 0.370107 0.919050 O\n0.000000 0.655429 0.083254 O\n0.000000 0.640102 0.581106 O\n0.000000 0.996188 0.751409 O\n0.500000 0.651724 0.828127 F\n0.500000 0.002961 0.010503 F\n0.500000 0.996842 0.491008 F\n0.000000 0.999579 0.250627 F\n",
"nsites": 24,
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"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.330026353911469,
"density_atomic": 0.10388757911475696,
"volume": 231.01895534103232,
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"formula_full": "Li8 V4 O8 F4",
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"energy": -161.61802909,
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"updated_at": "2021-11-28T01:39:51.551000Z",
"spacegroup": 6
},
{
"id": "mp-1176250",
"created_at": "2022-09-04T14:48:30.032806Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n-2.949126 0.000000 0.000000\n1.356556 9.742603 0.000000\n-0.086039 -0.681140 -10.062032\nLi Mn Co O\n9 2 5 16\ndirect\n0.129400 0.242938 0.195762 Li\n0.885069 0.762409 0.311734 Li\n0.622697 0.246919 0.441291 Li\n0.364066 0.752574 0.560988 Li\n0.123547 0.255451 0.685155 Li\n0.855664 0.745680 0.808906 Li\n0.620447 0.245784 0.931492 Li\n0.389699 0.754216 0.066366 Li\n0.488528 0.989972 0.247633 Li\n0.004850 0.997250 0.007441 Mn\n0.751287 0.496301 0.125292 Mn\n0.250100 0.495478 0.385107 Co\n0.997338 0.001602 0.488505 Co\n0.750768 0.506225 0.633402 Co\n0.505548 0.007155 0.745767 Co\n0.244956 0.501889 0.869425 Co\n0.555360 0.108451 0.082558 O\n0.298598 0.602851 0.212813 O\n0.053272 0.114227 0.361153 O\n0.802977 0.615573 0.465446 O\n0.600225 0.114467 0.592513 O\n0.304688 0.627796 0.713593 O\n0.069829 0.113875 0.847377 O\n0.800859 0.610692 0.977763 O\n0.698133 0.383347 0.277277 O\n0.401089 0.885141 0.415119 O\n0.194514 0.383910 0.527820 O\n0.944473 0.895619 0.650242 O\n0.685619 0.380749 0.773212 O\n0.458613 0.893613 0.910359 O\n0.202684 0.386773 0.044798 O\n0.945101 0.881072 0.143692 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.152735272673548,
"density_atomic": 0.1106868301449959,
"volume": 289.10395173555077,
"volume_molar": 5.4407021613241655,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -204.91174315,
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},
{
"id": "mp-1182664",
"created_at": "2022-09-04T14:48:30.056808Z",
"structure_string": "Mg4 Be6 P6 H26 O38\n1.0\n10.314879 -0.154187 0.000000\n-5.288304 8.781794 0.000000\n0.000000 0.000000 8.445779\nMg Be P H O\n4 6 6 26 38\ndirect\n0.669259 0.328202 0.583336 Mg\n0.330741 0.671798 0.083336 Mg\n0.670163 0.335965 0.940380 Mg\n0.329837 0.664035 0.440380 Mg\n0.190908 0.095516 0.103233 Be\n0.895741 0.804612 0.106281 Be\n0.910161 0.098549 0.113145 Be\n0.809092 0.904484 0.603233 Be\n0.104259 0.195388 0.606281 Be\n0.089839 0.901451 0.613145 Be\n0.325824 0.158172 0.783503 P\n0.830522 0.682532 0.783987 P\n0.860691 0.181723 0.788449 P\n0.674176 0.841828 0.283503 P\n0.169478 0.317468 0.283987 P\n0.139309 0.818277 0.288449 P\n0.000073 0.000214 0.908015 H\n0.999927 0.999786 0.408015 H\n0.348923 0.055642 0.277937 H\n0.717053 0.636252 0.311142 H\n0.998635 0.998686 0.307757 H\n0.651077 0.944358 0.777937 H\n0.282947 0.363748 0.811142 H\n0.001365 0.001314 0.807757 H\n0.593383 0.138643 0.189230 H\n0.465383 0.387196 0.106077 H\n0.901306 0.550060 0.115311 H\n0.406617 0.861357 0.689230 H\n0.534617 0.612804 0.606077 H\n0.098694 0.449940 0.615311 H\n0.257328 0.407538 0.006517 H\n0.141282 0.585877 0.836812 H\n0.577605 0.899966 0.015830 H\n0.742672 0.592462 0.506517 H\n0.858718 0.414123 0.336812 H\n0.422395 0.100034 0.515830 H\n0.611006 0.541485 0.038233 H\n0.961221 0.457627 0.032727 H\n0.512620 0.036135 0.035156 H\n0.388994 0.458515 0.538233 H\n0.038779 0.542373 0.532727 H\n0.487380 0.963865 0.535156 H\n0.251877 0.260554 0.741598 O\n0.004072 0.776843 0.750873 O\n0.758094 0.997712 0.738722 O\n0.748123 0.739446 0.241598 O\n0.995928 0.223157 0.250873 O\n0.241906 0.002288 0.238722 O\n0.274961 0.095353 0.948782 O\n0.800233 0.714295 0.953981 O\n0.913902 0.187626 0.956407 O\n0.725039 0.904647 0.448782 O\n0.199767 0.285705 0.453981 O\n0.086098 0.812374 0.456407 O\n0.262129 0.032539 0.656317 O\n0.747971 0.732946 0.664330 O\n0.992308 0.249649 0.669077 O\n0.737871 0.967461 0.156317 O\n0.252029 0.267054 0.164330 O\n0.007692 0.750351 0.169077 O\n0.498600 0.257367 0.767261 O\n0.763194 0.509914 0.762685 O\n0.757913 0.245792 0.769889 O\n0.501400 0.742633 0.267261 O\n0.236806 0.490086 0.262685 O\n0.242087 0.754208 0.269889 O\n0.859458 0.439861 0.449631 O\n0.519245 0.131722 0.460329 O\n0.689451 0.515927 0.421708 O\n0.140542 0.560139 0.949631 O\n0.480755 0.868278 0.960329 O\n0.310549 0.484073 0.921708 O\n0.866010 0.443483 0.082055 O\n0.556866 0.142323 0.083513 O\n0.569860 0.433517 0.065982 O\n0.133990 0.556516 0.582055 O\n0.443134 0.857677 0.583513 O\n0.430140 0.566483 0.565982 O\n0.000018 0.995744 0.091807 O\n0.999982 0.004256 0.591807 O\n",
"nsites": 80,
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"elements": [
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"P",
"H",
"O"
],
"chemical_system": "Be-H-Mg-O-P",
"density": 2.127409240819401,
"density_atomic": 0.10551881634809201,
"volume": 758.1586182325154,
"volume_molar": 5.707172396754137,
"formula_full": "Mg4 Be6 P6 H26 O38",
"formula_reduced": "Mg2Be3P3H13O19",
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"energy": -494.81615247,
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"spacegroup": 4
},
{
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{
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}