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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=31",
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"results": [
{
"id": "mp-21564",
"created_at": "2022-09-04T14:42:21.038656Z",
"structure_string": "K10 V6 F28\n1.0\n7.784918 0.000000 0.000000\n0.000000 7.784918 0.000000\n0.000000 0.000000 11.930865\nK V F\n10 6 28\ndirect\n0.217343 0.282657 0.750000 K\n0.717343 0.217343 0.750000 K\n0.282657 0.782657 0.750000 K\n0.782657 0.717343 0.750000 K\n0.782657 0.717343 0.250000 K\n0.282657 0.782657 0.250000 K\n0.717343 0.217343 0.250000 K\n0.217343 0.282657 0.250000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.835675 F\n0.000000 0.000000 0.664325 F\n0.500000 0.500000 0.164325 F\n0.000000 0.000000 0.335675 F\n0.426923 0.746988 0.000000 F\n0.573077 0.253012 0.000000 F\n0.246988 0.926923 0.500000 F\n0.746988 0.573077 0.000000 F\n0.253012 0.426923 0.000000 F\n0.073077 0.246988 0.500000 F\n0.926923 0.753012 0.500000 F\n0.753012 0.073077 0.500000 F\n0.674607 0.958467 0.885789 F\n0.325393 0.041533 0.885789 F\n0.458467 0.174607 0.614211 F\n0.958467 0.325393 0.885789 F\n0.458467 0.174607 0.385789 F\n0.825393 0.458467 0.385789 F\n0.174607 0.541533 0.385789 F\n0.958467 0.325393 0.114211 F\n0.041533 0.674607 0.114211 F\n0.541533 0.825393 0.385789 F\n0.674607 0.958467 0.114211 F\n0.325393 0.041533 0.114211 F\n0.541533 0.825393 0.614211 F\n0.174607 0.541533 0.614211 F\n0.825393 0.458467 0.614211 F\n0.041533 0.674607 0.885789 F\n",
"nsites": 44,
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"elements": [
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"V",
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"density": 2.821467804913698,
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"volume": 723.0694561022681,
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"formula_full": "K10 V6 F28",
"formula_reduced": "K5V3F14",
"formula_anonymous": "A3B5C14",
"energy": -258.58248884,
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"updated_at": "2021-11-28T01:35:42.263000Z",
"spacegroup": 128
},
{
"id": "mp-1023616",
"created_at": "2022-09-04T14:42:21.048793Z",
"structure_string": "Mg15 Zn1\n1.0\n3.179829 -5.507625 0.000000\n3.179829 5.507625 0.000000\n0.000000 0.000000 10.210452\nMg Zn\n15 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.499394 0.998789 0.000000 Mg\n0.500267 0.000535 0.500000 Mg\n0.499394 0.500606 0.000000 Mg\n0.500267 0.499733 0.500000 Mg\n0.001211 0.500606 0.000000 Mg\n0.999465 0.499733 0.500000 Mg\n0.330772 0.165386 0.247228 Mg\n0.330772 0.165386 0.752772 Mg\n0.834614 0.165386 0.247228 Mg\n0.834614 0.165386 0.752772 Mg\n0.834614 0.669228 0.247228 Mg\n0.834614 0.669228 0.752772 Mg\n0.333333 0.666667 0.250108 Mg\n0.333333 0.666667 0.749892 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 1.9964493696786014,
"density_atomic": 0.04473803352151772,
"volume": 357.6375343432218,
"volume_molar": 13.46089733046385,
"formula_full": "Mg15 Zn1",
"formula_reduced": "Mg15Zn",
"formula_anonymous": "AB15",
"energy": -25.19438761,
"energy_per_atom": -1.574649225625,
"energy_above_hull": null,
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"energy_uncorrected": -25.19438761,
"band_gap": 0.0,
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"total_magnetization": 0.0062369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.178000Z",
"spacegroup": 187
},
{
"id": "mp-600257",
"created_at": "2022-09-04T14:42:21.102873Z",
"structure_string": "Ga8 H96 C32 N8 Cl24\n1.0\n13.047071 0.000000 0.000000\n0.000000 13.047071 0.000000\n0.000000 0.000000 13.047071\nGa H C N Cl\n8 96 32 8 24\ndirect\n0.053994 0.053994 0.053994 Ga\n0.053994 0.446006 0.553994 Ga\n0.446006 0.946006 0.553994 Ga\n0.946006 0.946006 0.946006 Ga\n0.553994 0.053994 0.446006 Ga\n0.553994 0.446006 0.946006 Ga\n0.946006 0.553994 0.446006 Ga\n0.446006 0.553994 0.053994 Ga\n0.924646 0.236042 0.283179 H\n0.636014 0.731019 0.577671 H\n0.363986 0.268981 0.422329 H\n0.075354 0.736042 0.216821 H\n0.758296 0.864069 0.779884 H\n0.075354 0.763958 0.716821 H\n0.635931 0.220116 0.258296 H\n0.863986 0.268981 0.077671 H\n0.135931 0.279884 0.741704 H\n0.140927 0.661855 0.650530 H\n0.231019 0.922329 0.363986 H\n0.763958 0.716821 0.075354 H\n0.349470 0.640927 0.838145 H\n0.859073 0.338145 0.349470 H\n0.077671 0.636014 0.768981 H\n0.279884 0.741704 0.135931 H\n0.258296 0.635931 0.220116 H\n0.849470 0.859073 0.161855 H\n0.864069 0.720116 0.258296 H\n0.661855 0.849470 0.640927 H\n0.241704 0.364069 0.720116 H\n0.283179 0.924646 0.236042 H\n0.575354 0.736042 0.283179 H\n0.741704 0.135931 0.279884 H\n0.720116 0.258296 0.864069 H\n0.863986 0.231019 0.577671 H\n0.716821 0.424646 0.263958 H\n0.231019 0.577671 0.863986 H\n0.650530 0.359073 0.161855 H\n0.731019 0.922329 0.136014 H\n0.422329 0.136014 0.768981 H\n0.575354 0.763958 0.783179 H\n0.922329 0.136014 0.731019 H\n0.779884 0.741704 0.364069 H\n0.577671 0.636014 0.731019 H\n0.424646 0.263958 0.716821 H\n0.263958 0.783179 0.924646 H\n0.783179 0.575354 0.763958 H\n0.422329 0.363986 0.268981 H\n0.349470 0.859073 0.338145 H\n0.838145 0.349470 0.640927 H\n0.731019 0.577671 0.636014 H\n0.241704 0.135931 0.220116 H\n0.135931 0.220116 0.241704 H\n0.577671 0.863986 0.231019 H\n0.364069 0.779884 0.741704 H\n0.364069 0.720116 0.241704 H\n0.924646 0.263958 0.783179 H\n0.716821 0.075354 0.763958 H\n0.661855 0.650530 0.140927 H\n0.783179 0.924646 0.263958 H\n0.338145 0.150530 0.359073 H\n0.779884 0.758296 0.864069 H\n0.220116 0.241704 0.135931 H\n0.216821 0.075354 0.736042 H\n0.161855 0.849470 0.859073 H\n0.650530 0.140927 0.661855 H\n0.758296 0.635931 0.279884 H\n0.736042 0.216821 0.075354 H\n0.220116 0.258296 0.635931 H\n0.216821 0.424646 0.236042 H\n0.768981 0.077671 0.636014 H\n0.359073 0.161855 0.650530 H\n0.736042 0.283179 0.575354 H\n0.838145 0.150530 0.140927 H\n0.636014 0.768981 0.077671 H\n0.140927 0.838145 0.150530 H\n0.768981 0.422329 0.136014 H\n0.161855 0.650530 0.359073 H\n0.268981 0.077671 0.863986 H\n0.236042 0.283179 0.924646 H\n0.150530 0.359073 0.338145 H\n0.424646 0.236042 0.216821 H\n0.338145 0.349470 0.859073 H\n0.763958 0.783179 0.575354 H\n0.849470 0.640927 0.661855 H\n0.236042 0.216821 0.424646 H\n0.363986 0.231019 0.922329 H\n0.258296 0.864069 0.720116 H\n0.741704 0.364069 0.779884 H\n0.864069 0.779884 0.758296 H\n0.136014 0.731019 0.922329 H\n0.640927 0.838145 0.349470 H\n0.136014 0.768981 0.422329 H\n0.077671 0.863986 0.268981 H\n0.283179 0.575354 0.736042 H\n0.635931 0.279884 0.758296 H\n0.279884 0.758296 0.635931 H\n0.640927 0.661855 0.849470 H\n0.922329 0.363986 0.231019 H\n0.268981 0.422329 0.363986 H\n0.859073 0.161855 0.849470 H\n0.150530 0.140927 0.838145 H\n0.263958 0.716821 0.424646 H\n0.720116 0.241704 0.364069 H\n0.359073 0.338145 0.150530 H\n0.715422 0.284578 0.784578 C\n0.193700 0.774687 0.879310 C\n0.774687 0.620690 0.693700 C\n0.225313 0.120690 0.806300 C\n0.306300 0.225313 0.379310 C\n0.879310 0.306300 0.274687 C\n0.225313 0.379310 0.306300 C\n0.715422 0.215422 0.284578 C\n0.693700 0.774687 0.620690 C\n0.693700 0.725313 0.120690 C\n0.215422 0.284578 0.715422 C\n0.274687 0.620690 0.806300 C\n0.784578 0.715422 0.284578 C\n0.379310 0.193700 0.725313 C\n0.725313 0.379310 0.193700 C\n0.120690 0.806300 0.225313 C\n0.620690 0.693700 0.774687 C\n0.193700 0.725313 0.379310 C\n0.306300 0.274687 0.879310 C\n0.284578 0.715422 0.215422 C\n0.784578 0.784578 0.784578 C\n0.284578 0.784578 0.715422 C\n0.379310 0.306300 0.225313 C\n0.774687 0.879310 0.193700 C\n0.274687 0.879310 0.306300 C\n0.879310 0.193700 0.774687 C\n0.806300 0.274687 0.620690 C\n0.806300 0.225313 0.120690 C\n0.725313 0.120690 0.693700 C\n0.120690 0.693700 0.725313 C\n0.215422 0.215422 0.215422 C\n0.620690 0.806300 0.274687 C\n0.218088 0.718088 0.781912 N\n0.281912 0.281912 0.281912 N\n0.718088 0.781912 0.218088 N\n0.281912 0.218088 0.781912 N\n0.718088 0.718088 0.718088 N\n0.781912 0.281912 0.218088 N\n0.781912 0.218088 0.718088 N\n0.218088 0.781912 0.281912 N\n0.777629 0.992495 0.947022 Cl\n0.507505 0.052978 0.277629 Cl\n0.992495 0.947022 0.777629 Cl\n0.492495 0.947022 0.722371 Cl\n0.222371 0.492495 0.552978 Cl\n0.777629 0.507505 0.447022 Cl\n0.507505 0.447022 0.777629 Cl\n0.552978 0.277629 0.992495 Cl\n0.947022 0.722371 0.492495 Cl\n0.447022 0.722371 0.007505 Cl\n0.007505 0.447022 0.722371 Cl\n0.992495 0.552978 0.277629 Cl\n0.277629 0.507505 0.052978 Cl\n0.722371 0.007505 0.447022 Cl\n0.492495 0.552978 0.222371 Cl\n0.947022 0.777629 0.992495 Cl\n0.552978 0.222371 0.492495 Cl\n0.007505 0.052978 0.222371 Cl\n0.222371 0.007505 0.052978 Cl\n0.722371 0.492495 0.947022 Cl\n0.052978 0.222371 0.007505 Cl\n0.052978 0.277629 0.507505 Cl\n0.277629 0.992495 0.552978 Cl\n0.447022 0.777629 0.507505 Cl\n",
"nsites": 168,
"nelements": 5,
"elements": [
"Ga",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Ga-H-N",
"density": 1.4966966772904107,
"density_atomic": 0.07564325426895599,
"volume": 2220.9515127768273,
"volume_molar": 7.961239661355353,
"formula_full": "Ga8 H96 C32 N8 Cl24",
"formula_reduced": "GaH12C4NCl3",
"formula_anonymous": "ABC3D4E12",
"energy": -834.1409074000001,
"energy_per_atom": -4.965124448809524,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:43.017000Z",
"spacegroup": 205
},
{
"id": "mp-684783",
"created_at": "2022-09-04T14:42:21.124138Z",
"structure_string": "Na4 Pr8 Br18 N2 O2\n1.0\n11.826132 0.000000 0.000000\n0.000000 8.801057 0.000000\n0.000000 2.794213 9.442487\nNa Pr Br N O\n4 8 18 2 2\ndirect\n0.989564 0.719898 0.572780 Na\n0.512890 0.721154 0.572370 Na\n0.489564 0.280102 0.427220 Na\n0.012890 0.278846 0.427630 Na\n0.752159 0.906632 0.835762 Pr\n0.751964 0.893578 0.211148 Pr\n0.038277 0.794600 0.046931 Pr\n0.451920 0.799965 0.045733 Pr\n0.538277 0.205400 0.953068 Pr\n0.951920 0.200035 0.954267 Pr\n0.251964 0.106422 0.788852 Pr\n0.252159 0.093368 0.164238 Pr\n0.004789 0.992055 0.304588 Br\n0.498797 0.992892 0.304439 Br\n0.752410 0.853147 0.534162 Br\n0.249613 0.752638 0.854716 Br\n0.596383 0.617021 0.880663 Br\n0.903663 0.614275 0.877698 Br\n0.249730 0.733213 0.261159 Br\n0.589893 0.603323 0.309773 Br\n0.911465 0.600499 0.313576 Br\n0.089893 0.396677 0.690227 Br\n0.411465 0.399501 0.686424 Br\n0.749730 0.266787 0.738841 Br\n0.403663 0.385725 0.122302 Br\n0.096383 0.382979 0.119337 Br\n0.749613 0.247362 0.145284 Br\n0.252410 0.146853 0.465838 Br\n0.504789 0.007945 0.695412 Br\n0.998797 0.007108 0.695561 Br\n0.873703 0.942509 0.014691 N\n0.373703 0.057491 0.985309 N\n0.622780 0.943668 0.014548 O\n0.122780 0.056332 0.985452 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Br",
"N",
"O"
],
"chemical_system": "Br-N-Na-O-Pr",
"density": 4.591508728746407,
"density_atomic": 0.03459512989434816,
"volume": 982.7972926777366,
"volume_molar": 17.40748127956543,
"formula_full": "Na4 Pr8 Br18 N2 O2",
"formula_reduced": "Na2Pr4Br9NO",
"formula_anonymous": "ABC2D4E9",
"energy": -178.51371145,
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"energy_uncorrected": -166.80571145,
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"total_magnetization": 6.7e-05,
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"updated_at": "2021-11-28T01:35:46.599000Z",
"spacegroup": 4
},
{
"id": "mp-761147",
"created_at": "2022-09-04T14:42:21.134000Z",
"structure_string": "Li6 Mn4 F18\n1.0\n5.483736 0.000000 0.000000\n-2.710231 -4.968413 0.000000\n-0.956615 0.284247 -14.114979\nLi Mn F\n6 4 18\ndirect\n0.098119 0.583419 0.242902 Li\n0.002808 0.717492 0.451345 Li\n0.228544 0.710123 0.044545 Li\n0.997203 0.414836 0.751343 Li\n0.991568 0.282637 0.547453 Li\n0.776857 0.292273 0.956100 Li\n0.119341 0.971192 0.849341 Mn\n0.342388 0.978056 0.653192 Mn\n0.652991 0.034543 0.346148 Mn\n0.869008 0.015051 0.151117 Mn\n0.890112 0.755315 0.749172 F\n0.240980 0.801283 0.353676 F\n0.614317 0.841525 0.050062 F\n0.016562 0.328325 0.075688 F\n0.336732 0.224444 0.749492 F\n0.808470 0.329096 0.434430 F\n0.628907 0.247136 0.249762 F\n0.922775 0.189831 0.858580 F\n0.250081 0.153098 0.557834 F\n0.743528 0.844591 0.436750 F\n0.080353 0.808860 0.143255 F\n0.355770 0.769293 0.755610 F\n0.608655 0.773124 0.240739 F\n0.999781 0.672350 0.931623 F\n0.195723 0.675893 0.569454 F\n0.759746 0.197378 0.647629 F\n0.392833 0.169904 0.943515 F\n0.075970 0.219131 0.259242 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.6053012097163233,
"density_atomic": 0.07280874863306037,
"volume": 384.5691695803435,
"volume_molar": 8.27117739703264,
"formula_full": "Li6 Mn4 F18",
"formula_reduced": "Li3Mn2F9",
"formula_anonymous": "A2B3C9",
"energy": -163.63030404,
"energy_per_atom": -5.84393943,
"energy_above_hull": null,
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"energy_uncorrected": -148.64230404,
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"updated_at": "2021-11-28T01:35:48.572000Z",
"spacegroup": 1
},
{
"id": "mp-757028",
"created_at": "2022-09-04T14:42:20.956047Z",
"structure_string": "Li4 Mn4 P4 O20\n1.0\n7.593379 -0.005264 -0.001749\n-0.004268 6.119540 -0.000186\n-0.001771 -0.000238 7.830137\nLi Mn P O\n4 4 4 20\ndirect\n0.140281 0.250047 0.669957 Li\n0.359975 0.749910 0.169923 Li\n0.639981 0.250071 0.830028 Li\n0.859621 0.749930 0.330137 Li\n0.999988 0.999894 0.999864 Mn\n0.999953 0.500086 0.999979 Mn\n0.499981 0.000166 0.499952 Mn\n0.499826 0.500089 0.500047 Mn\n0.132245 0.750107 0.665822 P\n0.367622 0.249823 0.165770 P\n0.632358 0.750173 0.834260 P\n0.867735 0.249843 0.334096 P\n0.010779 0.249962 0.466706 O\n0.108820 0.750151 0.089674 O\n0.126402 0.959258 0.779939 O\n0.126492 0.540943 0.779711 O\n0.179619 0.249383 0.076056 O\n0.320168 0.750538 0.576330 O\n0.373542 0.040733 0.279837 O\n0.373408 0.458994 0.279602 O\n0.391401 0.249867 0.589722 O\n0.489645 0.750020 0.966793 O\n0.510414 0.249956 0.033184 O\n0.608564 0.750161 0.410309 O\n0.626637 0.540987 0.720417 O\n0.626515 0.959254 0.720180 O\n0.679859 0.249472 0.423707 O\n0.820413 0.750586 0.923930 O\n0.873669 0.040712 0.220037 O\n0.873559 0.459043 0.220303 O\n0.891216 0.249822 0.910363 O\n0.989310 0.750020 0.533367 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.1554042434453384,
"density_atomic": 0.08794820819346784,
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"energy_per_atom": -4.910210730681818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -416.5705443,
"band_gap": 1.2202000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0626201,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.265000Z",
"spacegroup": 64
}
]
}