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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10232",
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"results": [
{
"id": "mp-1174235",
"created_at": "2022-09-04T14:40:54.935588Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.914719 0.000000 0.000000\n-0.133777 5.933545 0.000000\n-1.342256 -1.353494 10.296939\nLi Mn Co O\n6 2 2 10\ndirect\n0.007857 0.513272 0.015915 Li\n0.611129 0.294546 0.207914 Li\n0.396175 0.703110 0.800597 Li\n0.795734 0.897440 0.593832 Li\n0.189233 0.084420 0.384018 Li\n0.588334 0.810997 0.204011 Li\n0.012984 0.997416 0.006504 Mn\n0.792466 0.399470 0.598569 Mn\n0.177041 0.610075 0.378625 Co\n0.411207 0.199397 0.801165 Co\n0.515960 0.222026 0.989619 O\n0.090269 0.049694 0.182062 O\n0.865850 0.434439 0.792061 O\n0.299296 0.616293 0.600438 O\n0.694615 0.839336 0.405374 O\n0.501387 0.779828 0.997916 O\n0.100927 0.545474 0.207046 O\n0.950442 0.968439 0.806390 O\n0.295967 0.176793 0.610879 O\n0.703128 0.357535 0.417064 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.003818161038495,
"density_atomic": 0.11230805947904818,
"volume": 178.08160957256263,
"volume_molar": 5.362162598066678,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.89025767,
"energy_per_atom": -6.5945128835,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.3201,
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"is_magnetic": true,
"total_magnetization": 10.0001069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.622000Z",
"spacegroup": 1
},
{
"id": "mp-19872",
"created_at": "2022-09-04T14:40:54.940503Z",
"structure_string": "U1 Al2 Cu1\n1.0\n0.000000 3.320734 3.320734\n3.320734 0.000000 3.320734\n3.320734 3.320734 0.000000\nU Al Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-U",
"density": 8.061258443403354,
"density_atomic": 0.054616985878790464,
"volume": 73.23728938241041,
"volume_molar": 11.026131638543225,
"formula_full": "U1 Al2 Cu1",
"formula_reduced": "UAl2Cu",
"formula_anonymous": "ABC2",
"energy": -21.80623915,
"energy_per_atom": -5.4515597875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -21.80623915,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.3713063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.159000Z",
"spacegroup": 225
},
{
"id": "mp-758702",
"created_at": "2022-09-04T14:40:54.959229Z",
"structure_string": "Li12 Co2 Si4 O16\n1.0\n1.204349 4.957797 0.223361\n-5.251660 1.626303 6.087588\n5.708416 0.092198 6.251022\nLi Co Si O\n12 2 4 16\ndirect\n0.165808 0.197180 0.612126 Li\n0.165970 0.697335 0.111973 Li\n0.834031 0.802666 0.388028 Li\n0.834193 0.302820 0.887874 Li\n0.617532 0.893299 0.141605 Li\n0.617500 0.393381 0.641492 Li\n0.382501 0.106619 0.858508 Li\n0.382469 0.606701 0.358397 Li\n0.779571 0.124672 0.486536 Li\n0.780006 0.624875 0.986642 Li\n0.219995 0.875126 0.513358 Li\n0.220432 0.375329 0.013463 Li\n0.500000 0.749999 0.750000 Co\n0.500002 0.250001 0.249999 Co\n0.127749 0.038288 0.242086 Si\n0.127602 0.538344 0.742075 Si\n0.872391 0.961657 0.757926 Si\n0.872253 0.461711 0.257912 Si\n0.799648 0.038466 0.257421 O\n0.799668 0.538479 0.757329 O\n0.200326 0.961516 0.742667 O\n0.200353 0.461539 0.242584 O\n0.690796 0.357946 0.414813 O\n0.690508 0.858121 0.914929 O\n0.309490 0.641878 0.585075 O\n0.309209 0.142053 0.085187 O\n0.193972 0.115317 0.403025 O\n0.193617 0.615595 0.902976 O\n0.806386 0.884405 0.597023 O\n0.806022 0.384679 0.096974 O\n0.235845 0.842913 0.261692 O\n0.235796 0.342916 0.761822 O\n0.764204 0.157087 0.738176 O\n0.764157 0.657087 0.238307 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.7456054506111376,
"density_atomic": 0.09871456657348104,
"volume": 344.4273847334488,
"volume_molar": 6.1005593895985415,
"formula_full": "Li12 Co2 Si4 O16",
"formula_reduced": "Li6Co(SiO4)2",
"formula_anonymous": "AB2C6D8",
"energy": -223.99158831,
"energy_per_atom": -6.587987891470588,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -209.72358831,
"band_gap": 2.6850000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4e-06,
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"updated_at": "2021-11-28T01:34:58.281000Z",
"spacegroup": 2
},
{
"id": "mp-754929",
"created_at": "2022-09-04T14:40:54.989782Z",
"structure_string": "Ga12 N4 O12\n1.0\n4.121493 -7.138636 0.000000\n4.121493 7.138636 0.000000\n0.000000 0.000000 6.366029\nGa N O\n12 4 12\ndirect\n0.504607 0.434046 0.500000 Ga\n0.510332 0.431402 0.000000 Ga\n0.565954 0.070560 0.500000 Ga\n0.568598 0.078930 0.000000 Ga\n0.921070 0.489668 0.000000 Ga\n0.929440 0.495393 0.500000 Ga\n0.737242 0.832317 0.257037 Ga\n0.737242 0.832317 0.742963 Ga\n0.095075 0.262758 0.257037 Ga\n0.095075 0.262758 0.742963 Ga\n0.167683 0.904925 0.742963 Ga\n0.167683 0.904925 0.257037 Ga\n0.666667 0.333333 0.000000 N\n0.668889 0.692026 0.500000 N\n0.023137 0.331111 0.500000 N\n0.307974 0.976863 0.500000 N\n0.359876 0.362223 0.246394 O\n0.359876 0.362223 0.753606 O\n0.666667 0.333333 0.500000 O\n0.637777 0.997653 0.246394 O\n0.637777 0.997653 0.753606 O\n0.002347 0.640124 0.753606 O\n0.002347 0.640124 0.246394 O\n0.656846 0.699934 0.000000 O\n0.043088 0.343154 0.000000 O\n0.000000 0.000000 0.768264 O\n0.000000 0.000000 0.231736 O\n0.300066 0.956912 0.000000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 4.8082668612397566,
"density_atomic": 0.07474628606228349,
"volume": 374.6005517473948,
"volume_molar": 8.056775897844554,
"formula_full": "Ga12 N4 O12",
"formula_reduced": "Ga3NO3",
"formula_anonymous": "AB3C3",
"energy": -178.48248550999998,
"energy_per_atom": -6.3743744824999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -168.79448551,
"band_gap": 1.0046999999999997,
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"is_magnetic": false,
"total_magnetization": 0.0036827,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.726000Z",
"spacegroup": 174
},
{
"id": "mp-1198641",
"created_at": "2022-09-04T14:40:54.910644Z",
"structure_string": "Ba4 U4 Se8 O32\n1.0\n9.509625 0.000000 0.000000\n0.000000 7.876839 0.000000\n0.000000 5.090415 12.642387\nBa U Se O\n4 4 8 32\ndirect\n0.601876 0.334743 0.692905 Ba\n0.101876 0.665257 0.807095 Ba\n0.398124 0.665257 0.307095 Ba\n0.898124 0.334743 0.192905 Ba\n0.596404 0.765064 0.788023 U\n0.096404 0.234936 0.711977 U\n0.403596 0.234936 0.211977 U\n0.903596 0.765064 0.288023 U\n0.550791 0.722569 0.037184 Se\n0.050791 0.277431 0.462816 Se\n0.449209 0.277431 0.962816 Se\n0.949209 0.722569 0.537184 Se\n0.338215 0.020734 0.616619 Se\n0.838215 0.979266 0.883381 Se\n0.661785 0.979266 0.383381 Se\n0.161785 0.020734 0.116619 Se\n0.450038 0.747959 0.924981 O\n0.950038 0.252041 0.575019 O\n0.549962 0.252041 0.075019 O\n0.049962 0.747959 0.424981 O\n0.043434 0.552326 0.016631 O\n0.543434 0.447674 0.483369 O\n0.956566 0.447674 0.983369 O\n0.456566 0.552326 0.516631 O\n0.465187 0.535887 0.136512 O\n0.965187 0.464113 0.363488 O\n0.534813 0.464113 0.863488 O\n0.034813 0.535887 0.636512 O\n0.603970 0.006071 0.682169 O\n0.103970 0.993929 0.817831 O\n0.396030 0.993929 0.317831 O\n0.896030 0.006071 0.182169 O\n0.157112 0.003696 0.612805 O\n0.657112 0.996304 0.887195 O\n0.842888 0.996304 0.387195 O\n0.342888 0.003696 0.112805 O\n0.680471 0.665825 0.694001 O\n0.180471 0.334175 0.805999 O\n0.319529 0.334175 0.305999 O\n0.819529 0.665825 0.194001 O\n0.370622 0.805717 0.718122 O\n0.870622 0.194283 0.781878 O\n0.629378 0.194283 0.281878 O\n0.129378 0.805717 0.218122 O\n0.838119 0.815034 0.825333 O\n0.338119 0.184966 0.674667 O\n0.161881 0.184966 0.174667 O\n0.661881 0.815034 0.325333 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ba",
"U",
"Se",
"O"
],
"chemical_system": "Ba-O-Se-U",
"density": 4.638143674546399,
"density_atomic": 0.05068702441794185,
"volume": 946.987923461715,
"volume_molar": 11.881030360638654,
"formula_full": "Ba4 U4 Se8 O32",
"formula_reduced": "BaU(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy": -328.70423865,
"energy_per_atom": -6.848004971875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -323.55223865,
"band_gap": 0.1038999999999998,
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"updated_at": "2021-11-28T01:34:58.507000Z",
"spacegroup": 14
},
{
"id": "mp-1204993",
"created_at": "2022-09-04T14:40:54.943677Z",
"structure_string": "Mg38 Al8 Zn30\n1.0\n4.987062 -7.128379 0.000000\n4.987062 7.128379 0.000000\n0.000000 0.000000 19.516761\nMg Al Zn\n38 8 30\ndirect\n0.319334 0.956950 0.476216 Mg\n0.043050 0.680666 0.523784 Mg\n0.319334 0.956950 0.023784 Mg\n0.043050 0.680666 0.976216 Mg\n0.680666 0.043050 0.523784 Mg\n0.956950 0.319334 0.476216 Mg\n0.680666 0.043050 0.976216 Mg\n0.956950 0.319334 0.023784 Mg\n0.580530 0.178626 0.381361 Mg\n0.821374 0.419470 0.618639 Mg\n0.580530 0.178626 0.118639 Mg\n0.821374 0.419470 0.881361 Mg\n0.419470 0.821374 0.618639 Mg\n0.178626 0.580530 0.381361 Mg\n0.419470 0.821374 0.881361 Mg\n0.178626 0.580530 0.118639 Mg\n0.648857 0.020873 0.250000 Mg\n0.979127 0.351143 0.750000 Mg\n0.351143 0.979127 0.750000 Mg\n0.020873 0.648857 0.250000 Mg\n0.424112 0.676841 0.250000 Mg\n0.323159 0.575888 0.750000 Mg\n0.575888 0.323159 0.750000 Mg\n0.676841 0.424112 0.250000 Mg\n0.178306 0.178306 0.376947 Mg\n0.821694 0.821694 0.623053 Mg\n0.178306 0.178306 0.123053 Mg\n0.821694 0.821694 0.876947 Mg\n0.283265 0.283265 0.975613 Mg\n0.716735 0.716735 0.024387 Mg\n0.283265 0.283265 0.524387 Mg\n0.716735 0.716735 0.475613 Mg\n0.479087 0.479087 0.381234 Mg\n0.520913 0.520913 0.618766 Mg\n0.479087 0.479087 0.118766 Mg\n0.520913 0.520913 0.881234 Mg\n0.002448 0.002448 0.250000 Mg\n0.997552 0.997552 0.750000 Mg\n0.292502 0.914043 0.320876 Al\n0.085957 0.707499 0.679124 Al\n0.292502 0.914043 0.179124 Al\n0.085957 0.707499 0.820876 Al\n0.707499 0.085957 0.679124 Al\n0.914043 0.292502 0.320876 Al\n0.707499 0.085957 0.820876 Al\n0.914043 0.292502 0.179124 Al\n0.512063 0.826359 0.387972 Zn\n0.173641 0.487937 0.612028 Zn\n0.512063 0.826359 0.112028 Zn\n0.173641 0.487937 0.887972 Zn\n0.487937 0.173641 0.612028 Zn\n0.826359 0.512063 0.387972 Zn\n0.487937 0.173641 0.887972 Zn\n0.826359 0.512063 0.112028 Zn\n0.824982 0.015599 0.388938 Zn\n0.984401 0.175018 0.611062 Zn\n0.824982 0.015599 0.111062 Zn\n0.984401 0.175018 0.888938 Zn\n0.175018 0.984401 0.611062 Zn\n0.015599 0.824982 0.388938 Zn\n0.175018 0.984401 0.888938 Zn\n0.015599 0.824982 0.111062 Zn\n0.376339 0.195317 0.250000 Zn\n0.804683 0.623661 0.750000 Zn\n0.623661 0.804683 0.750000 Zn\n0.195317 0.376339 0.250000 Zn\n0.265534 0.265534 0.817002 Zn\n0.734466 0.734466 0.182998 Zn\n0.265534 0.265534 0.682998 Zn\n0.734466 0.734466 0.317002 Zn\n0.368604 0.631396 0.500000 Zn\n0.368604 0.631396 0.000000 Zn\n0.631396 0.368604 0.500000 Zn\n0.631396 0.368604 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 76,
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"elements": [
"Mg",
"Al",
"Zn"
],
"chemical_system": "Al-Mg-Zn",
"density": 3.7117380747122355,
"density_atomic": 0.05476969257207188,
"volume": 1387.6287492392073,
"volume_molar": 10.995389013870064,
"formula_full": "Mg38 Al8 Zn30",
"formula_reduced": "Mg19Al4Zn15",
"formula_anonymous": "A4B15C19",
"energy": -131.94567001,
"energy_per_atom": -1.736127236973684,
"energy_above_hull": null,
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"energy_uncorrected": -131.94567001,
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"updated_at": "2021-11-28T01:34:59.456000Z",
"spacegroup": 63
},
{
"id": "mp-1193301",
"created_at": "2022-09-04T14:40:55.094733Z",
"structure_string": "Na2 Fe4 P4 H2 O16\n1.0\n5.255443 0.000000 0.000000\n-2.284127 8.616954 0.000000\n-1.625786 -1.224982 8.796611\nNa Fe P H O\n2 4 4 2 16\ndirect\n0.611677 0.829129 0.321688 Na\n0.388323 0.170871 0.678312 Na\n0.781953 0.892693 0.746211 Fe\n0.218047 0.107307 0.253789 Fe\n0.312602 0.615351 0.887176 Fe\n0.687398 0.384649 0.112824 Fe\n0.168875 0.770433 0.579895 P\n0.831125 0.229567 0.420105 P\n0.904712 0.750825 0.065343 P\n0.095288 0.249175 0.934657 P\n0.048179 0.650764 0.344229 H\n0.951821 0.349236 0.655771 H\n0.906208 0.820549 0.558871 O\n0.093792 0.179451 0.441129 O\n0.713899 0.743831 0.907034 O\n0.286101 0.256169 0.092966 O\n0.416742 0.910508 0.647150 O\n0.583258 0.089492 0.352850 O\n0.059982 0.091482 0.838228 O\n0.940018 0.908518 0.161772 O\n0.159735 0.631795 0.669070 O\n0.840265 0.368205 0.330930 O\n0.176355 0.726718 0.043844 O\n0.823645 0.273282 0.956156 O\n0.249737 0.379924 0.852366 O\n0.750263 0.620076 0.147634 O\n0.210733 0.722098 0.411184 O\n0.789267 0.277902 0.588816 O\n",
"nsites": 28,
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"elements": [
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"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Na-O-P",
"density": 2.714723411882668,
"density_atomic": 0.07028773352822285,
"volume": 398.36253915851586,
"volume_molar": 8.567840301155695,
"formula_full": "Na2 Fe4 P4 H2 O16",
"formula_reduced": "NaFe2P2HO8",
"formula_anonymous": "ABC2D2E8",
"energy": -207.63215576,
"energy_per_atom": -7.4154341342857135,
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"updated_at": "2021-11-28T01:34:58.633000Z",
"spacegroup": 2
},
{
"id": "mp-1025168",
"created_at": "2022-09-04T14:40:55.892037Z",
"structure_string": "Ru1 F6\n1.0\n-3.159420 3.159420 3.159420\n3.159420 -3.159420 3.159420\n3.159421 3.159420 -3.159420\nRu F\n1 6\ndirect\n0.000000 0.000000 0.000000 Ru\n0.000000 0.294062 0.294062 F\n0.000000 0.705938 0.705938 F\n0.294062 0.000000 0.294062 F\n0.705938 0.000000 0.705938 F\n0.294062 0.294062 0.000000 F\n0.705938 0.705938 0.000000 F\n",
"nsites": 7,
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"elements": [
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"F"
],
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"volume": 126.14851694337702,
"volume_molar": 10.85263036711802,
"formula_full": "Ru1 F6",
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"energy": -34.06296499,
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"updated_at": "2021-11-28T01:35:21.024000Z",
"spacegroup": 229
},
{
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