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{
"id": "mp-765036",
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"structure_string": "Li8 Mn4 O4 F12\n1.0\n-0.000020 5.226865 -0.000039\n-0.592725 -0.000068 9.565309\n6.061293 -0.000024 0.032738\nLi Mn O F\n8 4 4 12\ndirect\n0.471844 0.819511 0.241724 Li\n0.471843 0.819508 0.741720 Li\n0.028162 0.319505 0.241720 Li\n0.028162 0.319510 0.741724 Li\n0.031323 0.686238 0.262059 Li\n0.031329 0.686234 0.762057 Li\n0.468677 0.186232 0.262056 Li\n0.468683 0.186235 0.762061 Li\n0.517774 0.513748 0.997260 Mn\n0.982228 0.013739 0.497267 Mn\n0.517734 0.513738 0.497249 Mn\n0.982263 0.013742 0.997237 Mn\n0.389188 0.617169 0.235121 O\n0.389196 0.617160 0.735096 O\n0.110804 0.117163 0.235096 O\n0.110812 0.117171 0.735114 O\n0.859157 0.615864 0.007037 F\n0.859194 0.615887 0.507051 F\n0.640804 0.115886 0.007050 F\n0.640802 0.115887 0.507055 F\n0.264328 0.862530 0.495537 F\n0.264336 0.862525 0.995533 F\n0.235667 0.362526 0.495534 F\n0.235676 0.362530 0.995538 F\n0.825378 0.884940 0.261280 F\n0.825378 0.884936 0.761268 F\n0.674629 0.384942 0.261273 F\n0.674628 0.384942 0.761280 F\n",
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"formula_full": "Li8 Mn4 O4 F12",
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},
{
"id": "mp-1097515",
"created_at": "2022-09-04T14:40:27.516221Z",
"structure_string": "K2 Ag1 Au1\n1.0\n-6.254620 6.411538 9.082052\n6.254620 -6.411538 9.082052\n6.254620 6.411538 -9.082052\nK Ag Au\n2 1 1\ndirect\n0.000000 0.255195 0.255195 K\n0.000000 0.744805 0.744805 K\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "K2 Ag1 Au1",
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"updated_at": "2021-11-28T01:34:57.874000Z",
"spacegroup": 71
},
{
"id": "mp-1519147",
"created_at": "2022-09-04T14:42:56.484775Z",
"structure_string": "Ba1 Na1 Pr1 W1 O6\n1.0\n0.000000 -4.308643 -4.308643\n4.308643 0.000000 -4.308643\n4.308643 -4.308643 -0.000000\nBa Na Pr W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n-0.000000 0.000000 -0.000000 Pr\n0.500000 0.500000 0.500000 W\n0.726974 0.273026 0.273026 O\n0.273026 0.726974 0.726974 O\n0.726974 0.273026 0.726974 O\n0.273026 0.726974 0.273026 O\n0.726974 0.726974 0.273026 O\n0.273026 0.273026 0.726974 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.031414278791234,
"density_atomic": 0.06250985193996371,
"volume": 159.97478300867346,
"volume_molar": 9.633906613286879,
"formula_full": "Ba1 Na1 Pr1 W1 O6",
"formula_reduced": "BaNaPrWO6",
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"energy": -78.88538748,
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"updated_at": "2021-11-28T01:35:57.251000Z",
"spacegroup": 216
},
{
"id": "mp-29123",
"created_at": "2022-09-04T14:40:28.428460Z",
"structure_string": "Se16 Br24 N8\n1.0\n8.737416 0.000000 0.000000\n0.000000 12.766517 0.000000\n0.000000 0.000000 14.837161\nSe Br N\n16 24 8\ndirect\n0.151626 0.581834 0.134219 Se\n0.989210 0.365168 0.609926 Se\n0.989210 0.865168 0.890074 Se\n0.010790 0.365168 0.109926 Se\n0.010790 0.865168 0.390074 Se\n0.518151 0.538848 0.873011 Se\n0.518151 0.038848 0.626989 Se\n0.481849 0.538848 0.373011 Se\n0.343986 0.147554 0.962955 Se\n0.656014 0.647554 0.037045 Se\n0.656014 0.147554 0.462955 Se\n0.343986 0.647554 0.537045 Se\n0.848374 0.081834 0.865781 Se\n0.848374 0.581834 0.634219 Se\n0.151626 0.081834 0.365781 Se\n0.481849 0.038848 0.126989 Se\n0.743028 0.330391 0.087373 Br\n0.256972 0.830391 0.912627 Br\n0.256972 0.330391 0.587373 Br\n0.743028 0.830391 0.412627 Br\n0.321280 0.404645 0.138371 Br\n0.678720 0.904645 0.861629 Br\n0.678720 0.404645 0.638371 Br\n0.321280 0.904645 0.361629 Br\n0.998895 0.744601 0.137982 Br\n0.001105 0.244601 0.862018 Br\n0.001105 0.744601 0.637982 Br\n0.998895 0.244601 0.362018 Br\n0.170640 0.585411 0.395185 Br\n0.829360 0.085411 0.604815 Br\n0.829360 0.585411 0.895185 Br\n0.170640 0.085411 0.104815 Br\n0.497313 0.713781 0.664452 Br\n0.502687 0.213781 0.335548 Br\n0.502687 0.713781 0.164452 Br\n0.497313 0.213781 0.835548 Br\n0.749016 0.502470 0.350805 Br\n0.250984 0.002470 0.649195 Br\n0.250984 0.502470 0.850805 Br\n0.749016 0.002470 0.149195 Br\n0.987510 0.002599 0.382948 N\n0.012490 0.502599 0.617052 N\n0.012490 0.002599 0.882948 N\n0.987510 0.502599 0.117052 N\n0.493071 0.099097 0.520746 N\n0.493071 0.599097 0.979254 N\n0.506929 0.099097 0.020746 N\n0.506929 0.599097 0.479254 N\n",
"nsites": 48,
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"elements": [
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"Br",
"N"
],
"chemical_system": "Br-N-Se",
"density": 3.3040684176292965,
"density_atomic": 0.029002470027978806,
"volume": 1655.031449172922,
"volume_molar": 20.764234060721087,
"formula_full": "Se16 Br24 N8",
"formula_reduced": "Se2Br3N",
"formula_anonymous": "AB2C3",
"energy": -170.45418528000002,
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"updated_at": "2021-11-28T01:35:01.004000Z",
"spacegroup": 29
},
{
"id": "mp-558713",
"created_at": "2022-09-04T14:41:22.892820Z",
"structure_string": "Li3 Al3 Si3 O12\n1.0\n2.675361 -4.633862 0.000000\n2.675361 4.633862 0.000000\n0.000000 0.000000 11.094602\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.833333 Al\n0.000000 0.500000 0.166667 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.666667 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.333333 Si\n0.785692 0.185513 0.084453 O\n0.600179 0.785692 0.417786 O\n0.185513 0.785692 0.582214 O\n0.399821 0.214308 0.417786 O\n0.785692 0.600179 0.248880 O\n0.814487 0.600179 0.751120 O\n0.185513 0.399821 0.751120 O\n0.399821 0.185513 0.915547 O\n0.214308 0.399821 0.248880 O\n0.214308 0.814487 0.084453 O\n0.814487 0.214308 0.582214 O\n0.600179 0.814487 0.915547 O\n",
"nsites": 21,
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"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.2818816769420787,
"density_atomic": 0.0763399873969707,
"volume": 275.08519081617396,
"volume_molar": 7.888579714697422,
"formula_full": "Li3 Al3 Si3 O12",
"formula_reduced": "LiAlSiO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:35:25.226000Z",
"spacegroup": 180
},
{
"id": "mp-1517767",
"created_at": "2022-09-04T14:42:13.304323Z",
"structure_string": "K1 Ca1 Ce1 Sb1 O6\n1.0\n0.000000 -4.213368 -4.213368\n4.213368 0.000000 -4.213368\n4.213368 -4.213368 -0.000000\nK Ca Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737449 0.262551 0.262551 O\n0.262551 0.737449 0.737449 O\n0.737449 0.262551 0.737449 O\n0.262551 0.737449 0.262551 O\n0.737449 0.737449 0.262551 O\n0.262551 0.262551 0.737449 O\n",
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"elements": [
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"Ce",
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],
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"density_atomic": 0.0668469854186712,
"volume": 149.59537722409954,
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"formula_full": "K1 Ca1 Ce1 Sb1 O6",
"formula_reduced": "KCaCeSbO6",
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"energy": -70.55935514,
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"updated_at": "2021-11-28T01:35:40.111000Z",
"spacegroup": 216
},
{
"id": "mp-1519655",
"created_at": "2022-09-04T14:40:22.327921Z",
"structure_string": "K1 La1 Tb1 Sb1 O6\n1.0\n0.000000 -4.197444 -4.197444\n4.197444 -0.000000 -4.197444\n4.197444 -4.197444 -0.000000\nK La Tb Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.763119 0.236881 0.236881 O\n0.236881 0.763119 0.763119 O\n0.763119 0.236881 0.763119 O\n0.236881 0.763119 0.236881 O\n0.763119 0.763119 0.236881 O\n0.236881 0.236881 0.763119 O\n",
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],
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"formula_full": "K1 La1 Tb1 Sb1 O6",
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{
"id": "mp-776102",
"created_at": "2022-09-04T14:40:34.236101Z",
"structure_string": "Na20 Bi8 P4 C16 O64\n1.0\n10.355594 0.000000 0.000000\n5.136336 9.008934 0.000000\n5.032244 2.898384 16.956606\nNa Bi P C O\n20 8 4 16 64\ndirect\n0.783460 0.282400 0.033212 Na\n0.100382 0.216892 0.464846 Na\n0.410707 0.517201 0.155409 Na\n0.093406 0.589884 0.341982 Na\n0.403615 0.914927 0.159507 Na\n0.782330 0.903694 0.031975 Na\n0.470821 0.592861 0.342806 Na\n0.715764 0.215416 0.465737 Na\n0.283326 0.783116 0.532873 Na\n0.714626 0.604183 0.466671 Na\n0.028067 0.907726 0.162635 Na\n0.216826 0.100245 0.965141 Na\n0.516732 0.410359 0.655467 Na\n0.589914 0.093959 0.841978 Na\n0.915113 0.403942 0.659125 Na\n0.592085 0.470683 0.842502 Na\n0.903643 0.781976 0.531992 Na\n0.215262 0.716339 0.965440 Na\n0.906799 0.028490 0.662576 Na\n0.604435 0.714683 0.966637 Na\n0.250579 0.246110 0.248279 Bi\n0.496173 0.008502 0.499341 Bi\n0.754509 0.245003 0.252532 Bi\n0.007627 0.497012 0.999502 Bi\n0.746997 0.754877 0.250002 Bi\n0.245971 0.249858 0.748230 Bi\n0.245302 0.752904 0.751988 Bi\n0.753587 0.746106 0.750644 Bi\n0.314454 0.810660 0.062484 P\n0.187276 0.687384 0.437539 P\n0.810595 0.314450 0.562488 P\n0.687696 0.187310 0.937488 P\n0.080635 0.193018 0.136191 C\n0.080582 0.588281 0.140912 C\n0.612874 0.108283 0.168080 C\n0.417026 0.304426 0.359272 C\n0.192814 0.079832 0.636683 C\n0.693619 0.583077 0.138734 C\n0.885337 0.395067 0.334691 C\n0.589046 0.080055 0.640343 C\n0.418427 0.918186 0.361163 C\n0.110703 0.611546 0.668249 C\n0.803200 0.916024 0.361167 C\n0.304717 0.419618 0.859034 C\n0.583303 0.693515 0.638529 C\n0.394578 0.887161 0.834510 C\n0.916484 0.419884 0.860298 C\n0.917248 0.802345 0.862384 C\n0.132898 0.256250 0.069943 O\n0.153505 0.133581 0.194723 O\n0.026232 0.643027 0.075076 O\n0.484580 0.109214 0.174593 O\n0.203340 0.464437 0.147127 O\n0.300793 0.047661 0.356180 O\n0.016343 0.384381 0.333579 O\n0.405735 0.659019 0.030035 O\n0.159225 0.902922 0.033470 O\n0.620356 0.230555 0.167181 O\n0.347213 0.369234 0.298733 O\n0.405626 0.903502 0.031996 O\n0.287302 0.776799 0.154521 O\n0.954534 0.186707 0.142896 O\n0.758125 0.528315 0.073419 O\n0.259089 0.026568 0.570418 O\n0.362195 0.234413 0.421026 O\n0.854654 0.985433 0.297505 O\n0.634971 0.512957 0.198960 O\n0.541780 0.309238 0.356910 O\n0.090967 0.598819 0.466486 O\n0.220015 0.712650 0.345096 O\n0.686482 0.710092 0.143262 O\n0.185238 0.204298 0.643343 O\n0.871814 0.276148 0.336839 O\n0.538468 0.134756 0.574150 O\n0.342608 0.599394 0.467303 O\n0.095639 0.838597 0.471170 O\n0.986315 0.362397 0.796619 O\n0.484399 0.845980 0.301521 O\n0.277778 0.016836 0.834187 O\n0.765732 0.525939 0.334996 O\n0.229640 0.483612 0.675181 O\n0.736396 0.981367 0.163624 O\n0.517148 0.149759 0.700440 O\n0.009770 0.662147 0.200119 O\n0.902974 0.159404 0.533453 O\n0.658882 0.405892 0.530018 O\n0.473804 0.859171 0.426869 O\n0.118275 0.735351 0.665594 O\n0.309224 0.294017 0.855245 O\n0.811155 0.786960 0.359761 O\n0.903680 0.405450 0.531955 O\n0.776536 0.287421 0.654506 O\n0.458083 0.688304 0.643282 O\n0.370913 0.484922 0.799710 O\n0.638232 0.758990 0.574093 O\n0.132611 0.007796 0.694576 O\n0.046528 0.796789 0.859003 O\n0.741575 0.974253 0.425490 O\n0.233354 0.483358 0.921253 O\n0.599070 0.090994 0.966565 O\n0.713117 0.220230 0.845041 O\n0.654549 0.631283 0.698616 O\n0.382899 0.767085 0.834928 O\n0.838962 0.095328 0.971263 O\n0.599687 0.342742 0.967095 O\n0.982536 0.619960 0.665003 O\n0.714884 0.955252 0.646057 O\n0.787296 0.541622 0.859189 O\n0.526578 0.873794 0.835770 O\n0.973555 0.360132 0.925127 O\n0.848280 0.865828 0.801577 O\n0.857177 0.741199 0.927067 O\n",
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],
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"volume": 1581.9303184138562,
"volume_molar": 8.505899151785592,
"formula_full": "Na20 Bi8 P4 C16 O64",
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{
"id": "mp-1233144",
"created_at": "2022-09-04T14:42:49.482636Z",
"structure_string": "Mg1 Ag14 Pb6 O18\n1.0\n-3.128912 5.294699 6.653164\n3.094642 5.085196 -6.500653\n-6.050192 -0.073611 -6.499064\nMg Ag Pb O\n1 14 6 18\ndirect\n0.168023 0.796057 0.877788 Mg\n0.826632 0.170502 0.663632 Ag\n0.173896 0.338943 0.834215 Ag\n0.652881 0.824150 0.823976 Ag\n0.495686 0.013856 0.486542 Ag\n0.001972 0.980985 0.940003 Ag\n0.295436 0.730279 0.664832 Ag\n0.465109 0.570087 0.585831 Ag\n0.594528 0.415107 0.414817 Ag\n0.736121 0.250761 0.266587 Ag\n0.891776 0.100059 0.120975 Ag\n0.011633 0.497967 0.501737 Ag\n0.830062 0.660985 0.161210 Ag\n0.158921 0.848406 0.305225 Ag\n0.501832 0.490961 0.011838 Ag\n0.490763 0.155948 0.843200 Pb\n0.841817 0.490752 0.842666 Pb\n0.169165 0.164764 0.504482 Pb\n0.835043 0.827745 0.505251 Pb\n0.169641 0.484614 0.179061 Pb\n0.495373 0.830723 0.168137 Pb\n0.759663 0.214251 0.854799 O\n0.571374 0.433703 0.829954 O\n0.906166 0.116304 0.487783 O\n0.218534 0.128128 0.783826 O\n0.921947 0.773194 0.802211 O\n0.417156 0.871057 0.885088 O\n0.121664 0.536802 0.898909 O\n0.435402 0.188553 0.566861 O\n0.827222 0.540430 0.572506 O\n0.529858 0.098815 0.109433 O\n0.201885 0.442794 0.449060 O\n0.904065 0.472275 0.116628 O\n0.547965 0.819874 0.431763 O\n0.140595 0.220226 0.236239 O\n0.753851 0.838949 0.214879 O\n0.434878 0.552377 0.193805 O\n0.113015 0.893994 0.514142 O\n0.219301 0.769482 0.126098 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Mg",
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-Mg-O-Pb",
"density": 8.173607483769112,
"density_atomic": 0.06261910535906214,
"volume": 622.8131139269939,
"volume_molar": 9.617098049339162,
"formula_full": "Mg1 Ag14 Pb6 O18",
"formula_reduced": "MgAg14(PbO3)6",
"formula_anonymous": "AB6C14D18",
"energy": -185.75388723,
"energy_per_atom": -4.7629201853846155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.38788723,
"band_gap": 0.0102999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.851000Z",
"spacegroup": 1
},
{
"id": "mp-1234210",
"created_at": "2022-09-04T14:41:52.320744Z",
"structure_string": "Mg1 P4 Br12 O4\n1.0\n6.347372 -0.490248 -0.011412\n-0.801190 10.996882 0.042942\n-0.020679 0.046649 11.386784\nMg P Br O\n1 4 12 4\ndirect\n0.618795 0.814043 0.245537 Mg\n0.365933 0.310009 0.244350 P\n0.638705 0.676059 0.745417 P\n0.907300 0.181977 0.745006 P\n0.094082 0.850705 0.243830 P\n0.842094 0.648570 0.593775 Br\n0.828938 0.024457 0.252316 Br\n0.336492 0.772721 0.405828 Br\n0.699870 0.143605 0.898832 Br\n0.184216 0.350339 0.399349 Br\n0.842891 0.649744 0.898213 Br\n0.391317 0.514868 0.746497 Br\n0.698791 0.143042 0.591457 Br\n0.106668 0.035529 0.746443 Br\n0.181567 0.356128 0.090995 Br\n0.342857 0.774007 0.083093 Br\n0.647113 0.454610 0.245409 Br\n0.559869 0.795076 0.744011 O\n0.028995 0.306945 0.743988 O\n0.418420 0.184408 0.242800 O\n0.900504 0.750657 0.242999 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Mg",
"P",
"Br",
"O"
],
"chemical_system": "Br-Mg-O-P",
"density": 2.4604639177238314,
"density_atomic": 0.026571334912099395,
"volume": 790.3253663946534,
"volume_molar": 22.66405048870084,
"formula_full": "Mg1 P4 Br12 O4",
"formula_reduced": "MgP4(Br3O)4",
"formula_anonymous": "AB4C4D12",
"energy": -90.34472196000002,
"energy_per_atom": -4.302129617142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.18872196,
"band_gap": 2.3899,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.085000Z",
"spacegroup": 1
},
{
"id": "mp-2469",
"created_at": "2022-09-04T14:40:29.166338Z",
"structure_string": "Cd1 S1\n1.0\n0.000000 2.970417 2.970417\n2.970417 0.000000 2.970417\n2.970417 2.970417 0.000000\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"S"
],
"chemical_system": "Cd-S",
"density": 4.576806438786264,
"density_atomic": 0.038154672907846424,
"volume": 52.418218990647,
"volume_molar": 15.783494657509067,
"formula_full": "Cd1 S1",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy": -6.82408398,
"energy_per_atom": -3.41204199,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.32108398,
"band_gap": 1.0492,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.016000Z",
"spacegroup": 216
},
{
"id": "mp-752680",
"created_at": "2022-09-04T14:45:15.040241Z",
"structure_string": "Li16 Fe4 O12\n1.0\n-5.048843 -2.566327 -0.231622\n-2.769439 -0.000580 6.368093\n-5.050712 7.702407 -0.233106\nLi Fe O\n16 4 12\ndirect\n0.901753 0.932188 0.866651 Li\n0.401744 0.932196 0.366652 Li\n0.252055 0.433722 0.517055 Li\n0.752067 0.433746 0.017055 Li\n0.837993 0.642171 0.714653 Li\n0.338010 0.642160 0.214660 Li\n0.993160 0.141884 0.560871 Li\n0.493171 0.141907 0.060860 Li\n0.942328 0.837712 0.459274 Li\n0.442342 0.837719 0.959275 Li\n0.162101 0.337117 0.241260 Li\n0.662090 0.337119 0.741268 Li\n0.777052 0.528027 0.491440 Li\n0.277055 0.528042 0.991442 Li\n0.126010 0.028536 0.141878 Li\n0.626007 0.028515 0.641887 Li\n0.348417 0.750129 0.688317 Fe\n0.707618 0.250603 0.329623 Fe\n0.848495 0.750142 0.188352 Fe\n0.207638 0.250665 0.829627 Fe\n0.999009 0.861593 0.669709 O\n0.499071 0.861583 0.169679 O\n0.005702 0.361581 0.663591 O\n0.505730 0.361573 0.163602 O\n0.052825 0.590530 0.351253 O\n0.552811 0.590622 0.851255 O\n0.053916 0.090733 0.349708 O\n0.553926 0.090730 0.849712 O\n0.592480 0.807442 0.537630 O\n0.092470 0.807434 0.037760 O\n0.602807 0.307442 0.527395 O\n0.102878 0.307494 0.027385 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.595602385919894,
"density_atomic": 0.09501658225630945,
"volume": 336.78331971233456,
"volume_molar": 6.337989240399255,
"formula_full": "Li16 Fe4 O12",
"formula_reduced": "Li4FeO3",
"formula_anonymous": "AB3C4",
"energy": -184.82381073,
"energy_per_atom": -5.7757440853125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -167.55581073,
"band_gap": 2.3593,
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"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.486000Z",
"spacegroup": 9
}
]
}