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=12148",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12146",
"results": [
{
"id": "mp-978679",
"created_at": "2022-09-04T14:47:02.832330Z",
"structure_string": "Sm1 I1\n1.0\n1.944792 -3.368478 0.000000\n1.944792 3.368478 0.000000\n0.000000 0.000000 4.710818\nSm I\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"I"
],
"chemical_system": "I-Sm",
"density": 7.459506933129514,
"density_atomic": 0.032403863911611895,
"volume": 61.721034425258836,
"volume_molar": 18.58463785808572,
"formula_full": "Sm1 I1",
"formula_reduced": "SmI",
"formula_anonymous": "AB",
"energy": -8.39615083,
"energy_per_atom": -4.198075415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01715083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.315000Z",
"spacegroup": 187
},
{
"id": "mp-10611",
"created_at": "2022-09-04T14:47:03.109519Z",
"structure_string": "La3 Pb1 C1\n1.0\n5.241608 0.000000 0.000000\n0.000000 5.241608 0.000000\n0.000000 0.000000 5.241608\nLa Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Pb",
"C"
],
"chemical_system": "C-La-Pb",
"density": 7.33268149695804,
"density_atomic": 0.03471973394733009,
"volume": 144.01032011319586,
"volume_molar": 17.345008372286493,
"formula_full": "La3 Pb1 C1",
"formula_reduced": "La3PbC",
"formula_anonymous": "ABC3",
"energy": -29.89173869,
"energy_per_atom": -5.978347738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.89173869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000835,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.046000Z",
"spacegroup": 221
},
{
"id": "mp-1191141",
"created_at": "2022-09-04T14:47:03.176485Z",
"structure_string": "Sr3 Li6 Si3 O12\n1.0\n2.540607 -4.400460 0.000000\n2.540607 4.400460 0.000000\n0.000000 0.000000 12.581224\nSr Li Si O\n3 6 3 12\ndirect\n0.419330 0.000000 0.833333 Sr\n0.580670 0.580670 0.500000 Sr\n0.000000 0.419330 0.166667 Sr\n0.664087 0.592034 0.745386 Li\n0.927947 0.335913 0.412052 Li\n0.407966 0.072053 0.078719 Li\n0.335913 0.927947 0.587948 Li\n0.592034 0.664087 0.254614 Li\n0.072053 0.407966 0.921281 Li\n0.277314 0.000000 0.333333 Si\n0.722686 0.722686 0.000000 Si\n0.000000 0.277314 0.666667 Si\n0.550610 0.514811 0.106383 O\n0.964202 0.449390 0.773050 O\n0.485189 0.035798 0.439716 O\n0.449390 0.964202 0.226950 O\n0.514811 0.550610 0.893617 O\n0.035798 0.485189 0.560284 O\n0.066624 0.760971 0.996021 O\n0.694347 0.933376 0.662687 O\n0.239029 0.305653 0.329354 O\n0.933376 0.694347 0.337313 O\n0.760971 0.066624 0.003979 O\n0.305653 0.239029 0.670646 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Sr",
"density": 3.428102674944953,
"density_atomic": 0.08531448693266304,
"volume": 281.31212954422034,
"volume_molar": 7.058755173377707,
"formula_full": "Sr3 Li6 Si3 O12",
"formula_reduced": "SrLi2SiO4",
"formula_anonymous": "ABC2D4",
"energy": -164.70462421,
"energy_per_atom": -6.862692675416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.46062421,
"band_gap": 4.6377,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.780000Z",
"spacegroup": 152
},
{
"id": "mp-1211448",
"created_at": "2022-09-04T14:47:03.374065Z",
"structure_string": "K4 Sr8 I20\n1.0\n9.158575 0.000000 0.000000\n0.000000 10.075416 0.000000\n0.000000 0.016820 14.429950\nK Sr I\n4 8 20\ndirect\n0.017689 0.490791 0.320332 K\n0.982311 0.509209 0.679668 K\n0.517689 0.509209 0.179668 K\n0.482311 0.490791 0.820332 K\n0.022415 0.002004 0.318897 Sr\n0.977585 0.997996 0.681103 Sr\n0.522415 0.997996 0.181103 Sr\n0.477585 0.002004 0.818897 Sr\n0.078204 0.249055 0.007321 Sr\n0.921796 0.750945 0.992679 Sr\n0.578204 0.750945 0.492679 Sr\n0.421796 0.249055 0.507321 Sr\n0.164329 0.539500 0.089358 I\n0.835671 0.460500 0.910642 I\n0.664329 0.460500 0.410642 I\n0.335671 0.539500 0.589358 I\n0.835669 0.220871 0.183654 I\n0.164331 0.779129 0.816346 I\n0.335669 0.779129 0.316346 I\n0.664331 0.220871 0.683654 I\n0.305015 0.230074 0.282634 I\n0.694985 0.769926 0.717366 I\n0.805015 0.769926 0.217366 I\n0.194985 0.230074 0.782634 I\n0.458182 0.219942 0.002764 I\n0.541818 0.780058 0.997236 I\n0.958182 0.780058 0.497236 I\n0.041818 0.219942 0.502764 I\n0.662336 0.044402 0.403996 I\n0.337664 0.955598 0.596004 I\n0.162336 0.955598 0.096004 I\n0.837664 0.044402 0.903996 I\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Sr",
"I"
],
"chemical_system": "I-K-Sr",
"density": 4.234379432352019,
"density_atomic": 0.024032240374610388,
"volume": 1331.5446042977917,
"volume_molar": 25.05859073531188,
"formula_full": "K4 Sr8 I20",
"formula_reduced": "KSr2I5",
"formula_anonymous": "AB2C5",
"energy": -108.64679737,
"energy_per_atom": -3.3952124178125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.06679737,
"band_gap": 3.6493,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.804000Z",
"spacegroup": 14
},
{
"id": "mp-1222287",
"created_at": "2022-09-04T14:47:03.604494Z",
"structure_string": "Li1 Tb1 Se2\n1.0\n4.102055 0.000000 0.000000\n0.000000 4.102055 0.000000\n0.000000 0.000000 5.595306\nLi Tb Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tb",
"Se"
],
"chemical_system": "Li-Se-Tb",
"density": 5.710588059429674,
"density_atomic": 0.04248476210086705,
"volume": 94.15140399052312,
"volume_molar": 14.174825189563899,
"formula_full": "Li1 Tb1 Se2",
"formula_reduced": "LiTbSe2",
"formula_anonymous": "ABC2",
"energy": -20.919542,
"energy_per_atom": -5.2298855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.975542,
"band_gap": 0.1076999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.825000Z",
"spacegroup": 123
},
{
"id": "mp-644259",
"created_at": "2022-09-04T14:47:03.613148Z",
"structure_string": "Ti16 Ni8 H8\n1.0\n0.000000 5.717766 5.717766\n5.717766 0.000000 5.717766\n5.717766 5.717766 0.000000\nTi Ni H\n16 8 8\ndirect\n0.809885 0.809885 0.190115 Ti\n0.190115 0.190115 0.809885 Ti\n0.809885 0.190115 0.809885 Ti\n0.190115 0.809885 0.190115 Ti\n0.190115 0.809885 0.809885 Ti\n0.809885 0.190115 0.190115 Ti\n0.440115 0.440115 0.059885 Ti\n0.059885 0.059885 0.440115 Ti\n0.440115 0.059885 0.440115 Ti\n0.059885 0.440115 0.059885 Ti\n0.059885 0.440115 0.440115 Ti\n0.440115 0.059885 0.059885 Ti\n0.125000 0.625000 0.625000 Ti\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.625000 0.625000 0.625000 Ti\n0.770503 0.409832 0.409832 Ni\n0.409832 0.770503 0.409832 Ni\n0.409832 0.409832 0.770503 Ni\n0.409832 0.409832 0.409832 Ni\n0.479497 0.840168 0.840168 Ni\n0.840168 0.479497 0.840168 Ni\n0.840168 0.840168 0.479497 Ni\n0.840168 0.840168 0.840168 Ni\n0.625000 0.125000 0.125000 H\n0.125000 0.625000 0.125000 H\n0.125000 0.125000 0.625000 H\n0.125000 0.125000 0.125000 H\n0.250000 0.250000 0.250000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 H\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ti",
"Ni",
"H"
],
"chemical_system": "H-Ni-Ti",
"density": 5.523059510570308,
"density_atomic": 0.0855935125435574,
"volume": 373.8601098268473,
"volume_molar": 7.035744393519793,
"formula_full": "Ti16 Ni8 H8",
"formula_reduced": "Ti2NiH",
"formula_anonymous": "ABC2",
"energy": -211.02634384,
"energy_per_atom": -6.594573245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.59434384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.3810712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.484000Z",
"spacegroup": 227
},
{
"id": "mp-23526",
"created_at": "2022-09-04T14:47:03.724382Z",
"structure_string": "K4 Cl4 O16\n1.0\n5.790134 0.000000 0.000000\n0.000000 7.418129 0.000000\n0.000000 0.000000 9.022326\nK Cl O\n4 4 16\ndirect\n0.250000 0.161165 0.680139 K\n0.750000 0.838835 0.319861 K\n0.750000 0.661165 0.819861 K\n0.250000 0.338835 0.180139 K\n0.250000 0.688429 0.569517 Cl\n0.750000 0.311571 0.430483 Cl\n0.750000 0.188429 0.930483 Cl\n0.250000 0.811571 0.069517 Cl\n0.250000 0.595432 0.427938 O\n0.750000 0.404568 0.572062 O\n0.750000 0.095432 0.072062 O\n0.250000 0.904568 0.927938 O\n0.543948 0.196443 0.419195 O\n0.043948 0.803557 0.580805 O\n0.456052 0.696443 0.080805 O\n0.956052 0.303557 0.919195 O\n0.250000 0.940607 0.191849 O\n0.750000 0.059393 0.808151 O\n0.750000 0.440607 0.308151 O\n0.250000 0.559393 0.691849 O\n0.043948 0.696443 0.080805 O\n0.543948 0.303557 0.919195 O\n0.956052 0.196443 0.419195 O\n0.456052 0.803557 0.580805 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Cl",
"O"
],
"chemical_system": "Cl-K-O",
"density": 2.374710429539539,
"density_atomic": 0.061931233561013745,
"volume": 387.5265939335045,
"volume_molar": 9.723915403795525,
"formula_full": "K4 Cl4 O16",
"formula_reduced": "KClO4",
"formula_anonymous": "ABC4",
"energy": -117.08397225,
"energy_per_atom": -4.87849884375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.09197225,
"band_gap": 5.5614,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024136,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.086000Z",
"spacegroup": 62
},
{
"id": "mp-1080635",
"created_at": "2022-09-04T14:47:02.786741Z",
"structure_string": "Ce12 Se24\n1.0\n12.679642 0.000000 0.000000\n0.000000 12.679642 0.000000\n0.000000 0.000000 14.809073\nCe Se\n12 24\ndirect\n0.823971 0.379084 0.002253 Ce\n0.176029 0.620916 0.502253 Ce\n0.879084 0.676029 0.252253 Ce\n0.120916 0.323971 0.752253 Ce\n0.620916 0.176029 0.497747 Ce\n0.379084 0.823971 0.997747 Ce\n0.676029 0.879084 0.747747 Ce\n0.323971 0.120916 0.247747 Ce\n0.911529 0.088471 0.250000 Ce\n0.088471 0.911529 0.750000 Ce\n0.588471 0.588471 0.500000 Ce\n0.411529 0.411529 0.000000 Ce\n0.945429 0.367914 0.850674 Se\n0.054571 0.632086 0.350674 Se\n0.867914 0.554571 0.100674 Se\n0.132086 0.445429 0.600674 Se\n0.632086 0.054571 0.649326 Se\n0.367914 0.945429 0.149326 Se\n0.554571 0.867914 0.899326 Se\n0.445429 0.132086 0.399326 Se\n0.617113 0.377627 0.955452 Se\n0.382887 0.622373 0.455452 Se\n0.877627 0.882887 0.205452 Se\n0.122373 0.117113 0.705452 Se\n0.622373 0.382887 0.544548 Se\n0.377627 0.617113 0.044548 Se\n0.882887 0.877627 0.794548 Se\n0.117113 0.122373 0.294548 Se\n0.844689 0.204397 0.106673 Se\n0.155311 0.795603 0.606673 Se\n0.704397 0.655311 0.356673 Se\n0.295603 0.344689 0.856673 Se\n0.795603 0.155311 0.393327 Se\n0.204397 0.844689 0.893327 Se\n0.655311 0.704397 0.643327 Se\n0.344689 0.295603 0.143327 Se\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 2.4943489645756616,
"density_atomic": 0.015120308192056597,
"volume": 2380.9038508165117,
"volume_molar": 39.82816146011965,
"formula_full": "Ce12 Se24",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -205.24349896,
"energy_per_atom": -5.701208304444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.91549896000004,
"band_gap": 0.9905000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0466971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.805000Z",
"spacegroup": 96
},
{
"id": "mp-11233",
"created_at": "2022-09-04T14:47:02.792914Z",
"structure_string": "Zr2 Al2\n1.0\n1.677617 -5.477335 0.000000\n1.677617 5.477335 0.000000\n0.000000 0.000000 4.305273\nZr Al\n2 2\ndirect\n0.840030 0.159970 0.250000 Zr\n0.159970 0.840030 0.750000 Zr\n0.571131 0.428869 0.250000 Al\n0.428869 0.571131 0.750000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 4.961626929465305,
"density_atomic": 0.05055535659675495,
"volume": 79.12119049827358,
"volume_molar": 11.911973656984452,
"formula_full": "Zr2 Al2",
"formula_reduced": "ZrAl",
"formula_anonymous": "AB",
"energy": -26.43922609,
"energy_per_atom": -6.6098065225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.43922609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.647000Z",
"spacegroup": 63
},
{
"id": "mp-20203",
"created_at": "2022-09-04T14:47:02.813260Z",
"structure_string": "Mn4 Cu4 P4\n1.0\n3.500081 0.000000 0.000000\n0.000000 5.939663 0.000000\n0.000000 0.000000 7.246990\nMn Cu P\n4 4 4\ndirect\n0.750000 0.467461 0.661390 Mn\n0.250000 0.032539 0.161390 Mn\n0.750000 0.967461 0.838610 Mn\n0.250000 0.532539 0.338610 Mn\n0.250000 0.636444 0.935124 Cu\n0.250000 0.136444 0.564876 Cu\n0.750000 0.863556 0.435124 Cu\n0.750000 0.363556 0.064876 Cu\n0.250000 0.246435 0.866838 P\n0.250000 0.746435 0.633162 P\n0.750000 0.753565 0.133162 P\n0.750000 0.253565 0.366838 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P",
"density": 6.589161196851926,
"density_atomic": 0.07964961555635273,
"volume": 150.65986089424254,
"volume_molar": 7.560790743226233,
"formula_full": "Mn4 Cu4 P4",
"formula_reduced": "MnCuP",
"formula_anonymous": "ABC",
"energy": -76.57202757,
"energy_per_atom": -6.3810022975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.57202757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.7687691,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.172000Z",
"spacegroup": 62
},
{
"id": "mp-780653",
"created_at": "2022-09-04T14:47:02.816383Z",
"structure_string": "Li20 Mn2 Si4 O20\n1.0\n3.059487 15.067449 0.000000\n-3.059487 15.067449 0.000000\n0.000000 0.883095 5.099116\nLi Mn Si O\n20 2 4 20\ndirect\n0.491226 0.491226 0.756165 Li\n0.224568 0.643736 0.400440 Li\n0.643736 0.224568 0.400440 Li\n0.867463 0.867463 0.281946 Li\n0.084035 0.652152 0.734384 Li\n0.652152 0.084035 0.734384 Li\n0.324516 0.324516 0.428544 Li\n0.047055 0.562262 0.099577 Li\n0.562262 0.047055 0.099577 Li\n0.269110 0.269110 0.823350 Li\n0.730890 0.730890 0.176650 Li\n0.437738 0.952945 0.900423 Li\n0.952945 0.437738 0.900423 Li\n0.675484 0.675484 0.571456 Li\n0.347848 0.915965 0.265616 Li\n0.915965 0.347848 0.265616 Li\n0.132537 0.132537 0.718054 Li\n0.775432 0.356264 0.599560 Li\n0.356264 0.775432 0.599560 Li\n0.508774 0.508774 0.243835 Li\n0.962250 0.962250 0.703848 Mn\n0.037750 0.037750 0.296152 Mn\n0.399585 0.399585 0.005869 Si\n0.780435 0.780435 0.628335 Si\n0.219565 0.219565 0.371665 Si\n0.600415 0.600415 0.994131 Si\n0.449504 0.449504 0.098647 O\n0.907208 0.907208 0.546530 O\n0.404352 0.404352 0.681313 O\n0.153032 0.588005 0.120131 O\n0.588005 0.153032 0.120131 O\n0.030963 0.580587 0.715352 O\n0.580587 0.030963 0.715352 O\n0.785834 0.785834 0.307087 O\n0.271565 0.271565 0.219114 O\n0.728435 0.728435 0.780886 O\n0.214166 0.214166 0.692913 O\n0.969037 0.419413 0.284648 O\n0.419413 0.969037 0.284648 O\n0.411995 0.846968 0.879869 O\n0.846968 0.411995 0.879869 O\n0.595648 0.595648 0.318687 O\n0.092792 0.092792 0.453470 O\n0.550496 0.550496 0.901353 O\n0.246439 0.753561 0.500000 O\n0.753561 0.246439 0.500000 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.405468186867105,
"density_atomic": 0.09784634373126604,
"volume": 470.1248738158119,
"volume_molar": 6.154691662817516,
"formula_full": "Li20 Mn2 Si4 O20",
"formula_reduced": "Li10Mn(SiO5)2",
"formula_anonymous": "AB2C10D10",
"energy": -291.41776356,
"energy_per_atom": -6.3351687730434785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.34176356,
"band_gap": 0.9482,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0011732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.069000Z",
"spacegroup": 12
},
{
"id": "mp-18700",
"created_at": "2022-09-04T14:47:02.838939Z",
"structure_string": "K16 Si4 O16\n1.0\n6.516157 0.000000 0.000000\n0.000000 10.471731 0.000000\n0.000000 3.953423 9.703178\nK Si O\n16 4 16\ndirect\n0.662004 0.890217 0.633742 K\n0.337996 0.109783 0.366258 K\n0.837996 0.390217 0.633742 K\n0.593390 0.305537 0.060089 K\n0.093390 0.194463 0.939911 K\n0.406610 0.694463 0.939911 K\n0.906610 0.805537 0.060089 K\n0.610497 0.086850 0.842452 K\n0.110497 0.413150 0.157548 K\n0.389503 0.913150 0.157548 K\n0.889503 0.586850 0.842452 K\n0.684192 0.703339 0.426747 K\n0.184192 0.796661 0.573253 K\n0.315808 0.296661 0.573253 K\n0.815808 0.203339 0.426747 K\n0.162004 0.609783 0.366258 K\n0.368532 0.491107 0.757349 Si\n0.868532 0.008893 0.242651 Si\n0.131468 0.991107 0.757349 Si\n0.631468 0.508893 0.242651 Si\n0.239141 0.968994 0.908656 O\n0.001919 0.151108 0.223318 O\n0.501919 0.348892 0.776682 O\n0.998081 0.848892 0.776682 O\n0.739141 0.531006 0.091344 O\n0.760859 0.031006 0.091344 O\n0.260859 0.468994 0.908656 O\n0.317671 0.015665 0.640000 O\n0.817671 0.484335 0.360000 O\n0.682329 0.984335 0.360000 O\n0.182329 0.515665 0.640000 O\n0.021995 0.869755 0.296631 O\n0.521995 0.630245 0.703369 O\n0.978005 0.130245 0.703369 O\n0.478005 0.369755 0.296631 O\n0.498081 0.651108 0.223318 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"K",
"Si",
"O"
],
"chemical_system": "K-O-Si",
"density": 2.4927001786099714,
"density_atomic": 0.054372397761591765,
"volume": 662.100651839013,
"volume_molar": 11.075731451839692,
"formula_full": "K16 Si4 O16",
"formula_reduced": "K4SiO4",
"formula_anonymous": "AB4C4",
"energy": -202.25099367,
"energy_per_atom": -5.6180831575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.25899367,
"band_gap": 3.6265,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.507000Z",
"spacegroup": 14
}
]
}