HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12175",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12173",
"results": [
{
"id": "mp-542122",
"created_at": "2022-09-04T14:41:00.288507Z",
"structure_string": "Ba6 Li2 Ru4 O18\n1.0\n2.933862 -5.081598 0.000000\n2.933862 5.081598 0.000000\n0.000000 0.000000 14.393865\nBa Li Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.589909 Ba\n0.666667 0.333333 0.089909 Ba\n0.666667 0.333333 0.410091 Ba\n0.333333 0.666667 0.910091 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.347738 Ru\n0.666667 0.333333 0.847738 Ru\n0.666667 0.333333 0.652262 Ru\n0.333333 0.666667 0.152262 Ru\n0.483392 0.966785 0.250000 O\n0.516608 0.483392 0.750000 O\n0.966785 0.483392 0.750000 O\n0.033215 0.516608 0.250000 O\n0.483392 0.516608 0.250000 O\n0.516608 0.033215 0.750000 O\n0.173957 0.347914 0.414422 O\n0.826043 0.173957 0.914422 O\n0.347914 0.173957 0.914422 O\n0.652086 0.826043 0.414422 O\n0.173957 0.826043 0.414422 O\n0.826043 0.652086 0.585578 O\n0.826043 0.173957 0.585578 O\n0.826043 0.652086 0.914422 O\n0.347914 0.173957 0.585578 O\n0.652086 0.826043 0.085578 O\n0.173957 0.347914 0.085578 O\n0.173957 0.826043 0.085578 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Ru",
"O"
],
"chemical_system": "Ba-Li-O-Ru",
"density": 5.920048311259367,
"density_atomic": 0.06989946413518533,
"volume": 429.18783958028774,
"volume_molar": 8.61543194144264,
"formula_full": "Ba6 Li2 Ru4 O18",
"formula_reduced": "Ba3LiRu2O9",
"formula_anonymous": "AB2C3D9",
"energy": -210.45825576,
"energy_per_atom": -7.015275192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.09225576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.989218,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.007000Z",
"spacegroup": 194
},
{
"id": "mp-1038168",
"created_at": "2022-09-04T14:41:00.294464Z",
"structure_string": "Mg30 Mn1 V1 O32\n1.0\n8.541852 0.000000 0.000000\n0.000000 8.541852 0.000000\n0.000000 0.000000 8.548278\nMg Mn V O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.251055 0.250208 Mg\n0.000000 0.251055 0.749792 Mg\n0.000000 0.748945 0.250208 Mg\n0.000000 0.748945 0.749792 Mg\n0.500000 0.249857 0.249994 Mg\n0.500000 0.249857 0.750006 Mg\n0.500000 0.750143 0.249994 Mg\n0.500000 0.750143 0.750006 Mg\n0.251055 0.000000 0.250208 Mg\n0.251055 0.000000 0.749792 Mg\n0.249857 0.500000 0.249994 Mg\n0.249857 0.500000 0.750006 Mg\n0.748945 0.000000 0.250208 Mg\n0.748945 0.000000 0.749792 Mg\n0.750143 0.500000 0.249994 Mg\n0.750143 0.500000 0.750006 Mg\n0.250553 0.250553 0.000000 Mg\n0.250343 0.250343 0.500000 Mg\n0.250553 0.749447 0.000000 Mg\n0.250343 0.749657 0.500000 Mg\n0.749447 0.250553 0.000000 Mg\n0.749657 0.250343 0.500000 Mg\n0.749447 0.749447 0.000000 Mg\n0.749657 0.749657 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 V\n0.256467 0.000000 0.000000 O\n0.255443 0.000000 0.500000 O\n0.250427 0.500000 0.000000 O\n0.250323 0.500000 0.500000 O\n0.743533 0.000000 0.000000 O\n0.744557 0.000000 0.500000 O\n0.749573 0.500000 0.000000 O\n0.749677 0.500000 0.500000 O\n0.249569 0.249569 0.249981 O\n0.249569 0.249569 0.750019 O\n0.249569 0.750431 0.249981 O\n0.249569 0.750431 0.750019 O\n0.750431 0.249569 0.249981 O\n0.750431 0.249569 0.750019 O\n0.750431 0.750431 0.249981 O\n0.750431 0.750431 0.750019 O\n0.000000 0.000000 0.250436 O\n0.000000 0.000000 0.749564 O\n0.000000 0.500000 0.250138 O\n0.000000 0.500000 0.749862 O\n0.500000 0.000000 0.250138 O\n0.500000 0.000000 0.749862 O\n0.500000 0.500000 0.250034 O\n0.500000 0.500000 0.749966 O\n0.000000 0.256467 0.000000 O\n0.000000 0.255443 0.500000 O\n0.000000 0.743533 0.000000 O\n0.000000 0.744557 0.500000 O\n0.500000 0.250427 0.000000 O\n0.500000 0.250323 0.500000 O\n0.500000 0.749573 0.000000 O\n0.500000 0.749677 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"V",
"O"
],
"chemical_system": "Mg-Mn-O-V",
"density": 3.586223122151762,
"density_atomic": 0.10261178718215333,
"volume": 623.7100216019934,
"volume_molar": 5.868858661734133,
"formula_full": "Mg30 Mn1 V1 O32",
"formula_reduced": "Mg30MnVO32",
"formula_anonymous": "ABC30D32",
"energy": -415.6107416,
"energy_per_atom": -6.4939178375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -390.2587416,
"band_gap": 1.8867999999999991,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.552000Z",
"spacegroup": 123
},
{
"id": "mp-865398",
"created_at": "2022-09-04T14:41:00.434620Z",
"structure_string": "Ac2 Zn1 Ir1\n1.0\n0.000000 3.794774 3.794774\n3.794774 0.000000 3.794774\n3.794774 3.794774 0.000000\nAc Zn Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Zn",
"Ir"
],
"chemical_system": "Ac-Ir-Zn",
"density": 10.812177329088218,
"density_atomic": 0.03659925512578324,
"volume": 109.29184176707743,
"volume_molar": 16.454271376024685,
"formula_full": "Ac2 Zn1 Ir1",
"formula_reduced": "Ac2ZnIr",
"formula_anonymous": "ABC2",
"energy": -19.83918645,
"energy_per_atom": -4.9597966125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.83918645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0150036,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.403000Z",
"spacegroup": 225
},
{
"id": "mp-4818",
"created_at": "2022-09-04T14:41:00.595924Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n12.555683 0.000000 0.000000\n0.000000 7.285329 0.000000\n0.000000 6.894047 8.712182\nRb Sb S\n4 8 14\ndirect\n0.439565 0.141380 0.151572 Rb\n0.060435 0.141380 0.651572 Rb\n0.560435 0.858620 0.848428 Rb\n0.939565 0.858620 0.348428 Rb\n0.345647 0.332690 0.438673 Sb\n0.845647 0.667310 0.061327 Sb\n0.654353 0.667310 0.561327 Sb\n0.154353 0.332690 0.938673 Sb\n0.137242 0.598529 0.149742 Sb\n0.637242 0.401471 0.350258 Sb\n0.862758 0.401471 0.850258 Sb\n0.362758 0.598529 0.649742 Sb\n0.267400 0.188233 0.834849 S\n0.032574 0.615738 0.720167 S\n0.532574 0.384262 0.779833 S\n0.967426 0.384262 0.279833 S\n0.000000 0.000000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.202563 0.677233 0.321368 S\n0.702563 0.322767 0.178632 S\n0.797437 0.322767 0.678632 S\n0.297437 0.677233 0.821368 S\n0.232600 0.188233 0.334849 S\n0.732600 0.811767 0.165151 S\n0.767400 0.811767 0.665151 S\n0.467426 0.615738 0.220167 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"S"
],
"chemical_system": "Rb-S-Sb",
"density": 3.6774197331872163,
"density_atomic": 0.03262547905394565,
"volume": 796.9231641628759,
"volume_molar": 18.4583979595901,
"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
"energy": -115.99190327,
"energy_per_atom": -4.461227048846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.94990327,
"band_gap": 1.2221000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.640000Z",
"spacegroup": 14
},
{
"id": "mp-1222171",
"created_at": "2022-09-04T14:41:00.737040Z",
"structure_string": "Mg1 Te1 Pb2 O6\n1.0\n5.708671 0.000000 0.000000\n2.847903 4.949248 0.000000\n2.843864 1.645946 4.674350\nMg Te Pb O\n1 1 2 6\ndirect\n0.990397 0.999929 0.005282 Mg\n0.495979 0.499980 0.501951 Te\n0.728615 0.742588 0.759390 Pb\n0.224401 0.257478 0.264886 Pb\n0.252282 0.742558 0.740129 O\n0.271439 0.739389 0.245697 O\n0.742671 0.735232 0.274384 O\n0.752494 0.261555 0.258960 O\n0.733313 0.263893 0.746535 O\n0.258409 0.257396 0.728785 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mg",
"Te",
"Pb",
"O"
],
"chemical_system": "Mg-O-Pb-Te",
"density": 8.327397808149264,
"density_atomic": 0.07571894273894135,
"volume": 132.06734851643827,
"volume_molar": 7.953281625659684,
"formula_full": "Mg1 Te1 Pb2 O6",
"formula_reduced": "MgTe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -60.48965434,
"energy_per_atom": -6.048965434,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.36765434,
"band_gap": 2.2805,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.750000Z",
"spacegroup": 1
},
{
"id": "mp-1223131",
"created_at": "2022-09-04T14:41:01.200322Z",
"structure_string": "La4 Mn3 Ni1 O12\n1.0\n5.585920 0.000000 0.000000\n0.053141 5.605524 0.000000\n0.049005 0.023747 7.878559\nLa Mn Ni O\n4 3 1 12\ndirect\n0.495981 0.529816 0.752389 La\n0.013870 0.033879 0.753899 La\n0.504019 0.470184 0.247611 La\n0.986130 0.966121 0.246101 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.584558 0.985926 0.758467 O\n0.922716 0.485708 0.743045 O\n0.415442 0.014074 0.241533 O\n0.077284 0.514292 0.256955 O\n0.231627 0.785563 0.957732 O\n0.279596 0.283644 0.544655 O\n0.767790 0.209313 0.454016 O\n0.712498 0.727668 0.044735 O\n0.768373 0.214437 0.042268 O\n0.720404 0.716356 0.455345 O\n0.232210 0.790687 0.545984 O\n0.287502 0.272332 0.955265 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Mn",
"Ni",
"O"
],
"chemical_system": "La-Mn-Ni-O",
"density": 6.5368010445610265,
"density_atomic": 0.0810722593223046,
"volume": 246.69350733756596,
"volume_molar": 7.428115128824575,
"formula_full": "La4 Mn3 Ni1 O12",
"formula_reduced": "La4Mn3NiO12",
"formula_anonymous": "AB3C4D12",
"energy": -170.70853613,
"energy_per_atom": -8.5354268065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.91953613,
"band_gap": 0.0928000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0026104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.490000Z",
"spacegroup": 2
},
{
"id": "mp-1101492",
"created_at": "2022-09-04T14:41:00.297909Z",
"structure_string": "Li2 V4 P6 O24\n1.0\n4.298874 7.447778 0.000000\n-4.298874 7.447778 0.000000\n0.000000 4.870596 7.025967\nLi V P O\n2 4 6 24\ndirect\n0.018196 0.433598 0.982455 Li\n0.433598 0.018196 0.482455 Li\n0.360945 0.855831 0.918115 V\n0.855831 0.360945 0.418115 V\n0.140708 0.641187 0.572055 V\n0.641187 0.140708 0.072055 V\n0.037153 0.962655 0.742160 P\n0.750033 0.533892 0.751675 P\n0.533892 0.750033 0.251675 P\n0.962655 0.037153 0.242160 P\n0.461970 0.247639 0.743963 P\n0.247639 0.461970 0.243963 P\n0.945876 0.229582 0.232571 O\n0.698648 0.371562 0.933565 O\n0.500908 0.798331 0.069789 O\n0.371562 0.698648 0.433565 O\n0.229582 0.945876 0.732571 O\n0.919703 0.549882 0.755294 O\n0.549882 0.919703 0.255294 O\n0.723986 0.580800 0.251453 O\n0.128515 0.999045 0.060601 O\n0.994221 0.875563 0.424024 O\n0.580800 0.723986 0.751453 O\n0.197988 0.502489 0.424542 O\n0.798331 0.500908 0.569789 O\n0.058934 0.773917 0.739477 O\n0.999045 0.128515 0.560601 O\n0.268515 0.413089 0.754698 O\n0.875563 0.994221 0.924024 O\n0.773917 0.058934 0.239477 O\n0.079910 0.439490 0.245241 O\n0.623548 0.299110 0.562235 O\n0.502489 0.197988 0.924542 O\n0.299110 0.623548 0.062235 O\n0.413089 0.268515 0.254698 O\n0.439490 0.079910 0.745241 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.9064909738973714,
"density_atomic": 0.08001749666490429,
"volume": 449.9016027802031,
"volume_molar": 7.526029944699974,
"formula_full": "Li2 V4 P6 O24",
"formula_reduced": "LiV2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -286.92703906,
"energy_per_atom": -7.970195529444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.63903906,
"band_gap": 0.199,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.676000Z",
"spacegroup": 9
},
{
"id": "mp-1174762",
"created_at": "2022-09-04T14:41:00.327376Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.970887 0.000000 0.000000\n0.114702 5.083345 0.000000\n0.668435 0.311635 16.765827\nLi Mn Co O\n8 2 4 14\ndirect\n0.918036 0.624916 0.143918 Li\n0.364842 0.788445 0.285817 Li\n0.787607 0.931021 0.427676 Li\n0.216422 0.072658 0.570847 Li\n0.645214 0.215105 0.712816 Li\n0.073984 0.361389 0.855491 Li\n0.489664 0.492348 0.005399 Li\n0.442658 0.158773 0.141649 Li\n0.996703 0.011929 0.005832 Mn\n0.142750 0.708043 0.713109 Mn\n0.868443 0.282506 0.280721 Co\n0.284106 0.426928 0.427155 Co\n0.714356 0.568703 0.567399 Co\n0.560940 0.850888 0.858647 Co\n0.486648 0.845768 0.063442 O\n0.888602 0.998877 0.225092 O\n0.298777 0.135300 0.357395 O\n0.713912 0.267021 0.499164 O\n0.190922 0.410956 0.640681 O\n0.568272 0.541917 0.785288 O\n0.018087 0.707503 0.926640 O\n0.426032 0.458886 0.221042 O\n0.851354 0.570460 0.356244 O\n0.237913 0.725799 0.496547 O\n0.718156 0.873322 0.639763 O\n0.111825 0.011487 0.788211 O\n0.510372 0.154523 0.937129 O\n0.973404 0.304530 0.066886 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.099752846823498,
"density_atomic": 0.11058528249925804,
"volume": 253.19824995869465,
"volume_molar": 5.445698219417583,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.63652549,
"energy_per_atom": -6.522733053214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.13052549,
"band_gap": 0.2601,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.051000Z",
"spacegroup": 1
},
{
"id": "mp-1211794",
"created_at": "2022-09-04T14:41:00.343276Z",
"structure_string": "K2 Na1 O2\n1.0\n4.548084 0.000000 0.000000\n0.000000 4.548084 0.000000\n0.000000 0.000000 13.357015\nK Na O\n2 1 2\ndirect\n0.500000 0.500000 0.663331 K\n0.500000 0.500000 0.336669 K\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.162925 O\n0.500000 0.500000 0.837075 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Na",
"O"
],
"chemical_system": "K-Na-O",
"density": 0.800458086539772,
"density_atomic": 0.018096877067274548,
"volume": 276.2907645011161,
"volume_molar": 33.27723749027464,
"formula_full": "K2 Na1 O2",
"formula_reduced": "K2NaO2",
"formula_anonymous": "AB2C2",
"energy": -15.44426203,
"energy_per_atom": -3.088852406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.07026203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5572736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.980000Z",
"spacegroup": 123
},
{
"id": "mp-31458",
"created_at": "2022-09-04T14:41:00.345840Z",
"structure_string": "Ti1 Sb1 Ru1\n1.0\n0.000000 3.079615 3.079615\n3.079615 0.000000 3.079615\n3.079615 3.079615 0.000000\nTi Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Ti",
"density": 7.695082239827712,
"density_atomic": 0.05135727594768281,
"volume": 58.41431315508387,
"volume_molar": 11.725973873954493,
"formula_full": "Ti1 Sb1 Ru1",
"formula_reduced": "TiSbRu",
"formula_anonymous": "ABC",
"energy": -22.66294065,
"energy_per_atom": -7.55431355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.66294065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0180123,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.375000Z",
"spacegroup": 216
},
{
"id": "mp-558762",
"created_at": "2022-09-04T14:41:00.347498Z",
"structure_string": "K1 Sn1 S2\n1.0\n7.561433 -2.014037 0.000000\n7.561433 2.014037 0.000000\n7.024981 0.000000 3.446920\nK Sn S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sn\n0.266046 0.266046 0.266046 S\n0.733954 0.733954 0.733954 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sn",
"S"
],
"chemical_system": "K-S-Sn",
"density": 3.510335288214366,
"density_atomic": 0.03810019852855955,
"volume": 104.98632958570117,
"volume_molar": 15.806061366021122,
"formula_full": "K1 Sn1 S2",
"formula_reduced": "KSnS2",
"formula_anonymous": "ABC2",
"energy": -17.19343178,
"energy_per_atom": -4.298357945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18743178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2840287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.714000Z",
"spacegroup": 166
},
{
"id": "mp-1247407",
"created_at": "2022-09-04T14:41:00.350324Z",
"structure_string": "Sr2 Sn14 N20\n1.0\n7.845100 0.000000 -0.030175\n0.000000 8.049880 0.000000\n-3.063881 0.000000 11.033210\nSr Sn N\n2 14 20\ndirect\n0.968961 0.971973 0.678904 Sr\n0.968961 0.028027 0.178904 Sr\n0.542267 0.969821 0.822089 Sn\n0.542267 0.030179 0.322089 Sn\n0.341600 0.024196 0.016679 Sn\n0.341600 0.975804 0.516679 Sn\n0.114160 0.394137 0.070653 Sn\n0.114160 0.605863 0.570653 Sn\n0.665505 0.351342 0.996551 Sn\n0.665505 0.648658 0.496551 Sn\n0.844382 0.619768 0.812174 Sn\n0.844382 0.380232 0.312174 Sn\n0.300673 0.623584 0.881420 Sn\n0.300673 0.376416 0.381420 Sn\n0.487642 0.364413 0.687131 Sn\n0.487642 0.635587 0.187131 Sn\n0.764791 0.860658 0.805908 N\n0.764791 0.139342 0.305908 N\n0.577125 0.110696 0.982024 N\n0.577125 0.889304 0.482024 N\n0.302814 0.878164 0.856183 N\n0.302814 0.121836 0.356183 N\n0.125588 0.149089 0.029083 N\n0.125588 0.850911 0.529083 N\n0.290304 0.506198 0.722334 N\n0.290304 0.493802 0.222334 N\n0.422638 0.118588 0.673604 N\n0.422638 0.881412 0.173604 N\n0.893303 0.359894 0.138470 N\n0.893303 0.640106 0.638470 N\n0.080773 0.585299 0.944505 N\n0.080773 0.414701 0.444505 N\n0.712748 0.400880 0.828580 N\n0.712748 0.599120 0.328580 N\n0.507025 0.543768 0.023009 N\n0.507025 0.456232 0.523009 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"N"
],
"chemical_system": "N-Sn-Sr",
"density": 5.051364610173095,
"density_atomic": 0.051722183579292785,
"volume": 696.0262987507118,
"volume_molar": 11.643245399273887,
"formula_full": "Sr2 Sn14 N20",
"formula_reduced": "SrSn7N10",
"formula_anonymous": "AB7C10",
"energy": -224.82321426,
"energy_per_atom": -6.245089285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.60321426,
"band_gap": 0.4615999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.536000Z",
"spacegroup": 7
}
]
}