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{
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"results": [
{
"id": "mp-727393",
"created_at": "2022-09-04T14:42:59.193288Z",
"structure_string": "Ca4 Mn2 Al4 Si8 B2 O30\n1.0\n7.324374 0.000000 0.000000\n1.312826 8.767896 0.000000\n2.187019 0.000589 9.066518\nCa Mn Al Si B O\n4 2 4 8 2 30\ndirect\n0.245917 0.391974 0.670343 Ca\n0.754083 0.608026 0.329657 Ca\n0.833690 0.105206 0.910081 Ca\n0.166310 0.894794 0.089919 Ca\n0.232622 0.118344 0.401652 Mn\n0.767378 0.881656 0.598348 Mn\n0.949857 0.258689 0.180415 Al\n0.050143 0.741311 0.819585 Al\n0.656511 0.417358 0.060529 Al\n0.343489 0.582642 0.939471 Al\n0.784393 0.223355 0.547046 Si\n0.215607 0.776645 0.452954 Si\n0.777509 0.518288 0.725538 Si\n0.222491 0.481712 0.274462 Si\n0.303044 0.013319 0.740723 Si\n0.696956 0.986681 0.259277 Si\n0.359328 0.229212 0.979773 Si\n0.640672 0.770788 0.020227 Si\n0.536004 0.289684 0.368221 B\n0.463996 0.710316 0.631779 B\n0.946944 0.170739 0.399364 O\n0.053056 0.829261 0.600636 O\n0.577822 0.303625 0.518534 O\n0.422178 0.696375 0.481466 O\n0.852948 0.345927 0.645630 O\n0.147052 0.654073 0.354370 O\n0.974719 0.571718 0.738168 O\n0.025281 0.428282 0.261832 O\n0.672398 0.636248 0.613349 O\n0.327602 0.363752 0.386651 O\n0.617801 0.497832 0.873680 O\n0.382199 0.502168 0.126320 O\n0.470743 0.875947 0.657178 O\n0.529257 0.124053 0.342822 O\n0.124611 0.941063 0.843837 O\n0.875389 0.058937 0.156163 O\n0.230446 0.135829 0.625340 O\n0.769554 0.864171 0.374660 O\n0.408302 0.095616 0.848085 O\n0.591698 0.904384 0.151915 O\n0.558784 0.236264 0.023917 O\n0.441216 0.763736 0.976083 O\n0.290564 0.386520 0.899863 O\n0.709436 0.613480 0.100137 O\n0.205475 0.166290 0.122048 O\n0.794525 0.833710 0.877952 O\n0.673066 0.357157 0.261169 O\n0.326934 0.642843 0.738831 O\n0.896780 0.316410 0.005430 O\n0.103220 0.683590 0.994570 O\n",
"nsites": 50,
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"Mn",
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"B",
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],
"chemical_system": "Al-B-Ca-Mn-O-Si",
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"density_atomic": 0.08587437200747584,
"volume": 582.2458881637845,
"volume_molar": 7.012733390907056,
"formula_full": "Ca4 Mn2 Al4 Si8 B2 O30",
"formula_reduced": "Ca2MnAl2Si4BO15",
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"energy": -400.89865936000007,
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"updated_at": "2021-11-28T01:35:59.720000Z",
"spacegroup": 2
},
{
"id": "mp-1358036",
"created_at": "2022-09-04T14:42:59.194333Z",
"structure_string": "Mg6 Ag12 O24\n1.0\n3.239578 5.399966 0.000000\n-3.239578 5.399966 0.000000\n0.000000 0.169643 15.492807\nMg Ag O\n6 12 24\ndirect\n0.154079 0.154079 0.958082 Mg\n0.833372 0.833372 0.666006 Mg\n0.666077 0.666077 0.833203 Mg\n0.166653 0.166653 0.334215 Mg\n0.000115 0.000115 0.500296 Mg\n0.331683 0.331683 0.166538 Mg\n0.162890 0.666444 0.832103 Ag\n0.489596 0.489596 0.621186 Ag\n0.499578 0.499578 0.999248 Ag\n0.666444 0.162890 0.832103 Ag\n0.500077 0.999744 0.500155 Ag\n0.822265 0.822265 0.290960 Ag\n0.999744 0.500077 0.500155 Ag\n0.840748 0.329836 0.168016 Ag\n0.175955 0.175955 0.709869 Ag\n0.329836 0.840748 0.168016 Ag\n0.510799 0.510799 0.377357 Ag\n0.839148 0.839148 0.043365 Ag\n0.347475 0.803004 0.912640 O\n0.497341 0.497341 0.765079 O\n0.803004 0.347475 0.912640 O\n0.333254 0.333254 0.913461 O\n0.691130 0.117652 0.577348 O\n0.987494 0.987494 0.752735 O\n0.831191 0.831191 0.430024 O\n0.546635 0.976214 0.755748 O\n0.117652 0.691130 0.577348 O\n0.834561 0.834561 0.901357 O\n0.682105 0.682105 0.578119 O\n0.976214 0.546635 0.755748 O\n0.026597 0.451885 0.243809 O\n0.318394 0.318394 0.422265 O\n0.881172 0.309872 0.423270 O\n0.451885 0.026597 0.243809 O\n0.171038 0.171038 0.088867 O\n0.168704 0.168704 0.569975 O\n0.013632 0.013632 0.247801 O\n0.309872 0.881172 0.423270 O\n0.654019 0.654019 0.090183 O\n0.214793 0.646844 0.088272 O\n0.502178 0.502178 0.237395 O\n0.646844 0.214793 0.088272 O\n",
"nsites": 42,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-Mg-O",
"density": 5.588433283120556,
"density_atomic": 0.07748358700467965,
"volume": 542.0502795961601,
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"formula_full": "Mg6 Ag12 O24",
"formula_reduced": "Mg(AgO2)2",
"formula_anonymous": "AB2C4",
"energy": -205.61641581,
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"updated_at": "2021-11-28T01:36:06.546000Z",
"spacegroup": 8
},
{
"id": "mp-760364",
"created_at": "2022-09-04T14:42:59.204339Z",
"structure_string": "Li8 Nb4 Fe12 O32\n1.0\n8.605511 0.000000 0.000000\n0.000000 8.605511 0.000000\n0.000000 0.000000 8.605511\nLi Nb Fe O\n8 4 12 32\ndirect\n0.999516 0.999516 0.999516 Li\n0.250484 0.250484 0.250484 Li\n0.249516 0.749516 0.750484 Li\n0.500484 0.000484 0.499516 Li\n0.499516 0.500484 0.000484 Li\n0.750484 0.249516 0.749516 Li\n0.749516 0.750484 0.249516 Li\n0.000484 0.499516 0.500484 Li\n0.125000 0.875000 0.375000 Nb\n0.375000 0.125000 0.875000 Nb\n0.625000 0.625000 0.625000 Nb\n0.875000 0.375000 0.125000 Nb\n0.117919 0.132081 0.625000 Fe\n0.125000 0.382081 0.867919 Fe\n0.132081 0.625000 0.117919 Fe\n0.367919 0.375000 0.617919 Fe\n0.375000 0.617919 0.367919 Fe\n0.382081 0.867919 0.125000 Fe\n0.617919 0.367919 0.375000 Fe\n0.625000 0.117919 0.132081 Fe\n0.632081 0.875000 0.882081 Fe\n0.867919 0.125000 0.382081 Fe\n0.875000 0.882081 0.632081 Fe\n0.882081 0.632081 0.875000 Fe\n0.112105 0.110677 0.384255 O\n0.115745 0.887895 0.610677 O\n0.114712 0.614712 0.885288 O\n0.139323 0.137895 0.865745 O\n0.110677 0.384255 0.112105 O\n0.135288 0.364712 0.635288 O\n0.134255 0.639323 0.362105 O\n0.137895 0.865745 0.139323 O\n0.362105 0.134255 0.639323 O\n0.365745 0.360677 0.862105 O\n0.364712 0.635288 0.135288 O\n0.389323 0.615745 0.612105 O\n0.360677 0.862105 0.365745 O\n0.385288 0.385288 0.385288 O\n0.384255 0.112105 0.110677 O\n0.387895 0.889323 0.884255 O\n0.612105 0.389323 0.615745 O\n0.615745 0.612105 0.389323 O\n0.614712 0.885288 0.114712 O\n0.639323 0.362105 0.134255 O\n0.610677 0.115745 0.887895 O\n0.635288 0.135288 0.364712 O\n0.634255 0.860677 0.637895 O\n0.637895 0.634255 0.860677 O\n0.862105 0.365745 0.360677 O\n0.865745 0.139323 0.137895 O\n0.864712 0.864712 0.864712 O\n0.889323 0.884255 0.387895 O\n0.860677 0.637895 0.634255 O\n0.885288 0.114712 0.614712 O\n0.884255 0.387895 0.889323 O\n0.887895 0.610677 0.115745 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
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"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.1932348476584105,
"density_atomic": 0.08787352227552564,
"volume": 637.2795644222971,
"volume_molar": 6.8531915007545745,
"formula_full": "Li8 Nb4 Fe12 O32",
"formula_reduced": "Li2NbFe3O8",
"formula_anonymous": "AB2C3D8",
"energy": -436.84464447,
"energy_per_atom": -7.800797222678571,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:05.345000Z",
"spacegroup": 212
},
{
"id": "mp-1100519",
"created_at": "2022-09-04T14:42:59.180624Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.106530 0.000000 0.000000\n-1.763534 7.483156 0.000000\n-1.348464 -1.787583 7.812532\nLi Mn O\n9 7 16\ndirect\n0.510650 0.756757 0.758952 Li\n0.499969 0.625327 0.370809 Li\n0.500000 0.000000 0.500000 Li\n0.504217 0.884243 0.114652 Li\n0.489350 0.243243 0.241048 Li\n0.495783 0.115757 0.885348 Li\n0.500000 0.500000 0.000000 Li\n0.500031 0.374673 0.629191 Li\n0.000000 0.000000 0.000000 Li\n0.009861 0.629602 0.878557 Mn\n0.990139 0.370398 0.121443 Mn\n0.000000 0.500000 0.500000 Mn\n0.002551 0.249552 0.755627 Mn\n0.997541 0.122551 0.367994 Mn\n0.002459 0.877449 0.632006 Mn\n0.997449 0.750448 0.244373 Mn\n0.789698 0.743299 0.020263 O\n0.765031 0.631434 0.614348 O\n0.765419 0.007070 0.738737 O\n0.770183 0.879493 0.360897 O\n0.792438 0.254560 0.518973 O\n0.754655 0.141750 0.127559 O\n0.766372 0.508034 0.243489 O\n0.769306 0.379556 0.859773 O\n0.207562 0.745440 0.481027 O\n0.230694 0.620444 0.140227 O\n0.234581 0.992930 0.261263 O\n0.245345 0.858250 0.872441 O\n0.210302 0.256701 0.979737 O\n0.229817 0.120507 0.639103 O\n0.233628 0.491966 0.756511 O\n0.234969 0.368566 0.385652 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.910369639885058,
"density_atomic": 0.10718832452679222,
"volume": 298.539977570052,
"volume_molar": 5.618280523169049,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.903741,
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"updated_at": "2021-11-28T01:36:02.609000Z",
"spacegroup": 2
},
{
"id": "mp-1214097",
"created_at": "2022-09-04T14:43:00.216339Z",
"structure_string": "Ce8 Mg2\n1.0\n0.000000 5.488861 5.488861\n5.488861 0.000000 5.488861\n5.488861 5.488861 0.000000\nCe Mg\n8 2\ndirect\n0.408774 0.408774 0.408774 Ce\n0.408774 0.408774 0.773678 Ce\n0.408774 0.773678 0.408774 Ce\n0.841226 0.841226 0.476322 Ce\n0.841226 0.841226 0.841226 Ce\n0.773678 0.408774 0.408774 Ce\n0.841226 0.476322 0.841226 Ce\n0.476322 0.841226 0.841226 Ce\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 10,
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"elements": [
"Ce",
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],
"chemical_system": "Ce-Mg",
"density": 5.872009378125551,
"density_atomic": 0.03023592823091897,
"volume": 330.73236328739847,
"volume_molar": 19.917168456041697,
"formula_full": "Ce8 Mg2",
"formula_reduced": "Ce4Mg",
"formula_anonymous": "AB4",
"energy": -43.86192067,
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"updated_at": "2021-11-28T01:36:07.381000Z",
"spacegroup": 227
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{
"id": "mp-1372792",
"created_at": "2022-09-04T14:43:00.257076Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.785856 0.000000 0.000000\n2.893253 5.102729 0.000000\n1.472821 1.008108 9.613033\nLi Mn Co O\n9 2 5 16\ndirect\n0.251093 0.124753 0.244115 Li\n0.247959 0.377795 0.752244 Li\n0.248617 0.624904 0.244962 Li\n0.753020 0.620841 0.247901 Li\n0.749302 0.874620 0.754891 Li\n0.753831 0.131973 0.244447 Li\n0.245202 0.868222 0.755180 Li\n0.749779 0.375085 0.755835 Li\n0.999880 0.500022 0.000009 Li\n0.000709 0.000165 0.999540 Mn\n0.500537 0.750506 0.500063 Mn\n0.000226 0.250213 0.499297 Co\n0.000029 0.749841 0.500593 Co\n0.500158 0.499949 0.000042 Co\n0.500042 0.999690 0.000166 Co\n0.499465 0.249483 0.499965 Co\n0.141057 0.833319 0.111552 O\n0.137242 0.083768 0.616201 O\n0.140183 0.303655 0.107394 O\n0.605699 0.297570 0.102902 O\n0.615453 0.566034 0.617185 O\n0.644705 0.844408 0.115948 O\n0.140974 0.566091 0.618668 O\n0.618577 0.044223 0.613797 O\n0.382650 0.457140 0.384343 O\n0.393676 0.702935 0.898755 O\n0.383615 0.932515 0.384591 O\n0.857349 0.932275 0.384004 O\n0.857141 0.166432 0.889407 O\n0.864068 0.419536 0.380965 O\n0.357072 0.156034 0.883008 O\n0.860690 0.696001 0.892030 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
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"density": 4.230168986700677,
"density_atomic": 0.11275074508039197,
"volume": 283.81187172806534,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -145.71890137,
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"updated_at": "2021-11-28T01:36:05.378000Z",
"spacegroup": 1
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{
"id": "mp-973875",
"created_at": "2022-09-04T14:43:00.307022Z",
"structure_string": "Ga3 Ge1\n1.0\n4.232536 0.000000 0.000000\n0.000000 4.232536 0.000000\n0.000000 0.000000 4.232536\nGa Ge\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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],
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"density": 6.171659739396611,
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"volume": 75.82317781265598,
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"formula_full": "Ga3 Ge1",
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"spacegroup": 221
},
{
"id": "mp-1039411",
"created_at": "2022-09-04T14:43:00.424729Z",
"structure_string": "Ca3 Mg1\n1.0\n-1.872820 3.208866 6.151342\n1.872820 -3.208866 6.151342\n1.872820 3.208866 -6.151342\nCa Mg\n3 1\ndirect\n0.849377 0.500000 0.349377 Ca\n0.257148 0.265432 0.991716 Ca\n0.726283 0.734568 0.991716 Ca\n0.333858 0.000000 0.333858 Mg\n",
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},
{
"id": "mp-1111938",
"created_at": "2022-09-04T14:42:58.080590Z",
"structure_string": "K2 Cr1 Hg1 F6\n1.0\n6.300800 0.000000 0.000000\n3.150400 5.456653 0.000000\n3.150400 1.818884 5.144582\nK Cr Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Hg\n0.218121 0.781879 0.218121 F\n0.781879 0.781879 0.218121 F\n0.781879 0.218121 0.781879 F\n0.781879 0.218121 0.218121 F\n0.218121 0.781879 0.781879 F\n0.218121 0.218121 0.781879 F\n",
"nsites": 10,
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"F"
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"volume": 176.877310224533,
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"formula_full": "K2 Cr1 Hg1 F6",
"formula_reduced": "K2CrHgF6",
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{
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"formula_full": "Li4 Mo2 O6",
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