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{
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"results": [
{
"id": "mp-755037",
"created_at": "2022-09-04T14:48:00.076762Z",
"structure_string": "Li4 Nb4 Co4 O16\n1.0\n-0.000020 -3.491140 4.937018\n6.200129 0.000007 -0.000020\n-0.000009 7.160188 5.062807\nLi Nb Co O\n4 4 4 16\ndirect\n0.000002 0.250000 0.140198 Li\n0.499999 0.750000 0.640198 Li\n0.000001 0.750000 0.859802 Li\n0.499998 0.250000 0.359802 Li\n0.999988 0.500009 0.499992 Nb\n0.500012 0.999991 0.000008 Nb\n0.999995 0.999990 0.499991 Nb\n0.500005 0.500010 0.000009 Nb\n0.750000 0.250000 0.750000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.999992 0.520146 0.273548 O\n0.499997 0.020134 0.773543 O\n0.999981 0.979855 0.273548 O\n0.499997 0.479865 0.773543 O\n0.000003 0.020135 0.726457 O\n0.500019 0.520145 0.226452 O\n0.000003 0.479866 0.726457 O\n0.500007 0.979854 0.226452 O\n0.222254 0.750001 0.503861 O\n0.722261 0.250000 0.003875 O\n0.777735 0.749999 0.503887 O\n0.277747 0.249999 0.003872 O\n0.777739 0.250000 0.496125 O\n0.277746 0.749999 0.996139 O\n0.222253 0.250001 0.496128 O\n0.722265 0.750001 0.996113 O\n",
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},
{
"id": "mp-1018779",
"created_at": "2022-09-04T14:48:00.254560Z",
"structure_string": "Li3 Pr1 Sb2\n1.0\n2.311185 -4.003090 0.000000\n2.311185 4.003090 0.000000\n0.000000 0.000000 7.366336\nLi Pr Sb\n3 1 2\ndirect\n0.666667 0.333333 0.352589 Li\n0.333333 0.666667 0.647411 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.744033 Sb\n0.333333 0.666667 0.255967 Sb\n",
"nsites": 6,
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"elements": [
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"volume": 136.30493643063724,
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"formula_full": "Li3 Pr1 Sb2",
"formula_reduced": "Li3PrSb2",
"formula_anonymous": "AB2C3",
"energy": -24.20818299,
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"updated_at": "2021-11-28T01:38:25.635000Z",
"spacegroup": 164
},
{
"id": "mp-1210085",
"created_at": "2022-09-04T14:48:00.309973Z",
"structure_string": "Na2 Ca2 As2 O8\n1.0\n2.951132 -4.650684 0.000000\n2.951132 4.650684 0.000000\n0.000000 0.000000 7.278329\nNa Ca As O\n2 2 2 8\ndirect\n0.318637 0.681363 0.750000 Na\n0.681363 0.318637 0.250000 Na\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.648717 0.351283 0.750000 As\n0.351283 0.648717 0.250000 As\n0.753026 0.246974 0.557375 O\n0.246974 0.753026 0.442625 O\n0.246974 0.753026 0.057375 O\n0.753026 0.246974 0.942625 O\n0.773252 0.700120 0.750000 O\n0.226748 0.299880 0.250000 O\n0.299880 0.226748 0.750000 O\n0.700119 0.773252 0.250000 O\n",
"nsites": 14,
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"elements": [
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"As",
"O"
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"chemical_system": "As-Ca-Na-O",
"density": 3.3576490492714512,
"density_atomic": 0.07007464240648847,
"volume": 199.7869631469384,
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"formula_full": "Na2 Ca2 As2 O8",
"formula_reduced": "NaCaAsO4",
"formula_anonymous": "ABCD4",
"energy": -90.20693348,
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"updated_at": "2021-11-28T01:38:28.032000Z",
"spacegroup": 63
},
{
"id": "mp-1232159",
"created_at": "2022-09-04T14:48:00.338842Z",
"structure_string": "Mg4 Sc8 Se16\n1.0\n3.808030 0.000000 0.000000\n0.000000 12.661355 0.000000\n0.000000 0.000000 13.292630\nMg Sc Se\n4 8 16\ndirect\n0.750000 0.126624 0.423255 Mg\n0.250000 0.873376 0.576745 Mg\n0.250000 0.373376 0.923255 Mg\n0.750000 0.626624 0.076745 Mg\n0.250000 0.108963 0.080293 Sc\n0.750000 0.891037 0.919707 Sc\n0.750000 0.391037 0.580293 Sc\n0.250000 0.608963 0.419707 Sc\n0.250000 0.147050 0.702855 Sc\n0.750000 0.852950 0.297145 Sc\n0.750000 0.352950 0.202855 Sc\n0.250000 0.647050 0.797145 Sc\n0.750000 0.026479 0.611877 Se\n0.250000 0.973521 0.388123 Se\n0.250000 0.473521 0.111877 Se\n0.750000 0.526479 0.888123 Se\n0.250000 0.034578 0.880205 Se\n0.750000 0.965422 0.119795 Se\n0.750000 0.465422 0.380205 Se\n0.250000 0.534578 0.619795 Se\n0.250000 0.215102 0.260280 Se\n0.750000 0.784898 0.739720 Se\n0.750000 0.284898 0.760280 Se\n0.250000 0.715102 0.239720 Se\n0.750000 0.247701 0.023074 Se\n0.250000 0.752299 0.976926 Se\n0.250000 0.252299 0.523074 Se\n0.750000 0.747701 0.476926 Se\n",
"nsites": 28,
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"elements": [
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"Sc",
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],
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"density": 4.4570085670920285,
"density_atomic": 0.0436884430839325,
"volume": 640.9017585315987,
"volume_molar": 13.784287868602924,
"formula_full": "Mg4 Sc8 Se16",
"formula_reduced": "Mg(ScSe2)2",
"formula_anonymous": "AB2C4",
"energy": -162.54395101999998,
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"updated_at": "2021-11-28T01:38:25.050000Z",
"spacegroup": 62
},
{
"id": "mp-1215103",
"created_at": "2022-09-04T14:48:00.344352Z",
"structure_string": "Ag2 H24 C12 N26 O6\n1.0\n9.243714 0.774044 1.655992\n4.162322 9.085452 4.151051\n-0.068265 -0.149112 10.032669\nAg H C N O\n2 24 12 26 6\ndirect\n0.364668 0.863257 0.044448 Ag\n0.635332 0.136743 0.955552 Ag\n0.425173 0.718908 0.329739 H\n0.574827 0.281092 0.670261 H\n0.708113 0.996344 0.242275 H\n0.291887 0.003656 0.757725 H\n0.698583 0.039914 0.396425 H\n0.301417 0.960086 0.603575 H\n0.572007 0.242385 0.514806 H\n0.427993 0.757615 0.485194 H\n0.065850 0.100507 0.947857 H\n0.934150 0.899493 0.052143 H\n0.133757 0.618987 0.309444 H\n0.866243 0.381013 0.690556 H\n0.059889 0.612794 0.641454 H\n0.940111 0.387206 0.358546 H\n0.088979 0.725146 0.032149 H\n0.911021 0.274854 0.967851 H\n0.796617 0.434049 0.129826 H\n0.203383 0.565951 0.870174 H\n0.660268 0.612468 0.148004 H\n0.339732 0.387533 0.851996 H\n0.084606 0.248863 0.496795 H\n0.915394 0.751137 0.503205 H\n0.266667 0.477749 0.450698 H\n0.733333 0.522251 0.549302 H\n0.332158 0.442665 0.258731 C\n0.667842 0.557335 0.741269 C\n0.739260 0.062838 0.674677 C\n0.260740 0.937162 0.325323 C\n0.536153 0.216863 0.234564 C\n0.463847 0.783137 0.765436 C\n0.072591 0.122241 0.139676 C\n0.927409 0.877759 0.860324 C\n0.357810 0.407773 0.043698 C\n0.642190 0.592227 0.956302 C\n0.078439 0.173968 0.338398 C\n0.921561 0.826032 0.661602 C\n0.201892 0.031276 0.402588 N\n0.798108 0.968724 0.597412 N\n0.023899 0.275414 0.407016 N\n0.976101 0.724586 0.592984 N\n0.238152 0.266286 0.739826 N\n0.761848 0.733714 0.260174 N\n0.662796 0.076219 0.291433 N\n0.337204 0.923781 0.708567 N\n0.692629 0.539380 0.093043 N\n0.307371 0.460620 0.906957 N\n0.003383 0.222235 0.211142 N\n0.996617 0.777765 0.788858 N\n0.001871 0.163604 0.013151 N\n0.998129 0.836396 0.986849 N\n0.208336 0.980812 0.187987 N\n0.791664 0.019188 0.812013 N\n0.622445 0.207926 0.613824 N\n0.377555 0.792074 0.386176 N\n0.462410 0.304047 0.319404 N\n0.537590 0.695953 0.680596 N\n0.489575 0.264085 0.094916 N\n0.510425 0.735915 0.905084 N\n0.275974 0.501049 0.122216 N\n0.724026 0.498951 0.877784 N\n0.250413 0.531560 0.342618 N\n0.749587 0.468440 0.657382 N\n0.240082 0.391583 0.676822 O\n0.759918 0.608417 0.323178 O\n0.336665 0.165912 0.844388 O\n0.663335 0.834088 0.155612 O\n0.137530 0.242440 0.697280 O\n0.862470 0.757560 0.302720 O\n",
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"volume": 815.7549275483365,
"volume_molar": 7.017987141942406,
"formula_full": "Ag2 H24 C12 N26 O6",
"formula_reduced": "AgH12C6N13O3",
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"energy": -473.74881251,
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"updated_at": "2021-11-28T01:38:24.618000Z",
"spacegroup": 2
},
{
"id": "mp-7384",
"created_at": "2022-09-04T14:48:00.362683Z",
"structure_string": "Sm4 F12\n1.0\n4.460254 0.000000 0.000000\n0.000000 6.679138 0.000000\n0.000000 0.000000 7.101064\nSm F\n4 12\ndirect\n0.935173 0.631806 0.750000 Sm\n0.435173 0.868194 0.250000 Sm\n0.564827 0.131806 0.750000 Sm\n0.064827 0.368194 0.250000 Sm\n0.079135 0.980403 0.750000 F\n0.579135 0.519597 0.250000 F\n0.420865 0.480403 0.750000 F\n0.920865 0.019597 0.250000 F\n0.386765 0.164106 0.064149 F\n0.886765 0.335894 0.935851 F\n0.113235 0.664106 0.435851 F\n0.613235 0.835894 0.564149 F\n0.613235 0.835894 0.935851 F\n0.113235 0.664106 0.064149 F\n0.886765 0.335894 0.564149 F\n0.386765 0.164106 0.435851 F\n",
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{
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"structure_string": "Mn3 Cu3 P6 O24\n1.0\n7.352251 -4.258418 0.000000\n7.352251 4.258418 0.000000\n4.885778 0.000000 6.951179\nMn Cu P O\n3 3 6 24\ndirect\n0.358001 0.358001 0.358001 Mn\n0.141802 0.141802 0.141802 Mn\n0.642126 0.642126 0.642126 Mn\n0.998058 0.998058 0.998058 Cu\n0.856500 0.856500 0.856500 Cu\n0.499573 0.499573 0.499573 Cu\n0.458925 0.750410 0.040546 P\n0.750410 0.040546 0.458925 P\n0.040546 0.458925 0.750410 P\n0.960223 0.541367 0.249594 P\n0.249594 0.960223 0.541367 P\n0.541367 0.249594 0.960223 P\n0.692686 0.879711 0.492129 O\n0.879711 0.492129 0.692686 O\n0.492129 0.692686 0.879711 O\n0.258246 0.915376 0.055553 O\n0.614772 0.806211 0.018260 O\n0.439869 0.582367 0.240433 O\n0.915376 0.055553 0.258246 O\n0.582367 0.240433 0.439869 O\n0.990896 0.382396 0.190887 O\n0.240433 0.439869 0.582367 O\n0.947144 0.739327 0.085309 O\n0.190887 0.990896 0.382396 O\n0.806211 0.018260 0.614772 O\n0.055553 0.258246 0.915376 O\n0.762246 0.553306 0.418848 O\n0.018260 0.614772 0.806211 O\n0.418848 0.762246 0.553306 O\n0.085309 0.947144 0.739327 O\n0.553306 0.418848 0.762246 O\n0.382396 0.190887 0.990896 O\n0.739327 0.085309 0.947144 O\n0.506147 0.309943 0.120769 O\n0.120769 0.506147 0.309943 O\n0.309943 0.120769 0.506147 O\n",
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{
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"structure_string": "Ce1 Ga1 Cu4\n1.0\n2.619149 -4.536500 0.000000\n2.619149 4.536500 0.000000\n0.000000 0.000000 4.060248\nCe Ga Cu\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.329793 0.164897 0.500000 Cu\n0.835103 0.164897 0.500000 Cu\n0.835103 0.670207 0.500000 Cu\n",
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{
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