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=formula_reduced&page=10218",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10216",
"results": [
{
"id": "mp-1034738",
"created_at": "2022-09-04T14:44:11.795019Z",
"structure_string": "Sr1 Mg14 Ni1 O16\n1.0\n8.636575 0.000000 0.000000\n0.000000 8.636575 0.000000\n0.000000 0.000000 4.387511\nSr Mg Ni O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.247506 0.500000 Mg\n0.000000 0.752494 0.500000 Mg\n0.500000 0.240268 0.500000 Mg\n0.500000 0.759732 0.500000 Mg\n0.247506 0.000000 0.500000 Mg\n0.240268 0.500000 0.500000 Mg\n0.752494 0.000000 0.500000 Mg\n0.759732 0.500000 0.500000 Mg\n0.243462 0.243462 0.000000 Mg\n0.243462 0.756538 0.000000 Mg\n0.756538 0.243462 0.000000 Mg\n0.756538 0.756538 0.000000 Mg\n0.000000 0.000000 0.000000 Ni\n0.246102 0.000000 0.000000 O\n0.228148 0.500000 0.000000 O\n0.753898 0.000000 0.000000 O\n0.771852 0.500000 0.000000 O\n0.249334 0.249334 0.500000 O\n0.249334 0.750666 0.500000 O\n0.750666 0.249334 0.500000 O\n0.750666 0.750666 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.246102 0.000000 O\n0.000000 0.753898 0.000000 O\n0.500000 0.228148 0.000000 O\n0.500000 0.771852 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O-Sr",
"density": 3.7677961990850193,
"density_atomic": 0.09777969144065882,
"volume": 327.26632216282223,
"volume_molar": 6.158887056475072,
"formula_full": "Sr1 Mg14 Ni1 O16",
"formula_reduced": "SrMg14NiO16",
"formula_anonymous": "ABC14D16",
"energy": -200.17406556,
"energy_per_atom": -6.25543954875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.64106556,
"band_gap": 4.245,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.066000Z",
"spacegroup": 123
},
{
"id": "mp-1034783",
"created_at": "2022-09-04T14:48:10.587273Z",
"structure_string": "Sr1 Mg14 Ni1 O16\n1.0\n8.651670 0.000000 0.000000\n0.000000 8.637365 0.000000\n0.000000 0.000000 4.393823\nSr Mg Ni O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.239977 0.500000 Mg\n0.000000 0.760023 0.500000 Mg\n0.500000 0.248465 0.500000 Mg\n0.500000 0.751535 0.500000 Mg\n0.250002 0.000000 0.500000 Mg\n0.259466 0.500000 0.500000 Mg\n0.749998 0.000000 0.500000 Mg\n0.740534 0.500000 0.500000 Mg\n0.255604 0.243917 0.000000 Mg\n0.255604 0.756083 0.000000 Mg\n0.744396 0.243917 0.000000 Mg\n0.744396 0.756083 0.000000 Mg\n0.000000 0.000000 0.000000 Ni\n0.255882 0.000000 0.000000 O\n0.271458 0.500000 0.000000 O\n0.744118 0.000000 0.000000 O\n0.728542 0.500000 0.000000 O\n0.249534 0.249608 0.500000 O\n0.249534 0.750392 0.500000 O\n0.750466 0.249608 0.500000 O\n0.750466 0.750392 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.228918 0.000000 O\n0.000000 0.771082 0.000000 O\n0.500000 0.245616 0.000000 O\n0.500000 0.754384 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O-Sr",
"density": 3.7554755886173217,
"density_atomic": 0.09745995400629745,
"volume": 328.3399866773208,
"volume_molar": 6.1790925528354705,
"formula_full": "Sr1 Mg14 Ni1 O16",
"formula_reduced": "SrMg14NiO16",
"formula_anonymous": "ABC14D16",
"energy": -200.19937719,
"energy_per_atom": -6.2562305371875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.66637719,
"band_gap": 4.665800000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9999983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.554000Z",
"spacegroup": 47
},
{
"id": "mp-1026577",
"created_at": "2022-09-04T14:45:16.699164Z",
"structure_string": "Sr1 Mg14 Sb1\n1.0\n6.605360 0.086064 0.000000\n-3.228146 5.591313 0.000000\n0.000000 0.000000 10.557141\nSr Mg Sb\n1 14 1\ndirect\n0.164096 0.332047 0.125000 Sr\n0.165176 0.332588 0.625000 Mg\n0.161643 0.830821 0.625000 Mg\n0.663102 0.326527 0.125000 Mg\n0.667185 0.336226 0.625000 Mg\n0.663102 0.836575 0.125000 Mg\n0.667185 0.830958 0.625000 Mg\n0.338750 0.165897 0.388093 Mg\n0.338750 0.165897 0.861907 Mg\n0.338750 0.672854 0.388093 Mg\n0.338750 0.672854 0.861907 Mg\n0.825770 0.162886 0.386311 Mg\n0.825770 0.162886 0.863689 Mg\n0.830257 0.665129 0.372932 Mg\n0.830257 0.665129 0.877068 Mg\n0.181457 0.840728 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sr",
"density": 2.3233997643966986,
"density_atomic": 0.040729454533708465,
"volume": 392.8360981794661,
"volume_molar": 14.785714242787028,
"formula_full": "Sr1 Mg14 Sb1",
"formula_reduced": "SrMg14Sb",
"formula_anonymous": "ABC14",
"energy": -28.96762866,
"energy_per_atom": -1.81047679125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.77562866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.800000Z",
"spacegroup": 38
},
{
"id": "mp-1026561",
"created_at": "2022-09-04T14:41:24.765450Z",
"structure_string": "Sr1 Mg14 Sb1\n1.0\n6.556494 0.000000 -0.000000\n-3.278247 5.678090 0.000000\n-0.000000 0.000000 10.607978\nSr Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.173809 0.836904 0.125000 Mg\n0.161986 0.830992 0.625000 Mg\n0.663096 0.326191 0.125000 Mg\n0.669008 0.338014 0.625000 Mg\n0.663096 0.836904 0.125000 Mg\n0.669008 0.830992 0.625000 Mg\n0.336836 0.163164 0.381879 Mg\n0.336836 0.163164 0.868121 Mg\n0.336836 0.673672 0.381879 Mg\n0.336836 0.673672 0.868121 Mg\n0.826328 0.163164 0.381879 Mg\n0.826328 0.163164 0.868121 Mg\n0.833333 0.666667 0.369936 Mg\n0.833333 0.666667 0.880064 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sr",
"density": 2.3111534377502796,
"density_atomic": 0.0405147750747563,
"volume": 394.91765585462133,
"volume_molar": 14.864060701036047,
"formula_full": "Sr1 Mg14 Sb1",
"formula_reduced": "SrMg14Sb",
"formula_anonymous": "ABC14",
"energy": -28.17896141,
"energy_per_atom": -1.761185088125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.98696141,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.267000Z",
"spacegroup": 187
},
{
"id": "mp-1026717",
"created_at": "2022-09-04T14:39:33.429591Z",
"structure_string": "Sr1 Mg14 Si1\n1.0\n6.556527 0.126559 0.000000\n-3.168660 5.488280 0.000000\n0.000000 0.000000 10.466417\nSr Mg Si\n1 14 1\ndirect\n0.149680 0.824839 0.125000 Sr\n0.158544 0.329271 0.625000 Mg\n0.167393 0.833696 0.625000 Mg\n0.642068 0.331258 0.125000 Mg\n0.664706 0.327012 0.625000 Mg\n0.642068 0.810809 0.125000 Mg\n0.664706 0.837693 0.625000 Mg\n0.338652 0.175724 0.383406 Mg\n0.338652 0.175724 0.866594 Mg\n0.338652 0.662929 0.383406 Mg\n0.338652 0.662929 0.866594 Mg\n0.847132 0.173566 0.357369 Mg\n0.847132 0.173566 0.892631 Mg\n0.828294 0.664147 0.390207 Mg\n0.828294 0.664147 0.859793 Mg\n0.205379 0.352689 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 1.9882420579537805,
"density_atomic": 0.04201444522203503,
"volume": 380.8214035778483,
"volume_molar": 14.333500604791062,
"formula_full": "Sr1 Mg14 Si1",
"formula_reduced": "SrMg14Si",
"formula_anonymous": "ABC14",
"energy": -28.96296741,
"energy_per_atom": -1.810185463125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.03396741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.659000Z",
"spacegroup": 38
},
{
"id": "mp-1026693",
"created_at": "2022-09-04T14:45:53.338239Z",
"structure_string": "Sr1 Mg14 Si1\n1.0\n6.441084 0.000000 0.000000\n-3.220542 5.578141 0.000000\n0.000000 0.000000 10.603883\nSr Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.161611 0.830805 0.125000 Mg\n0.176497 0.838248 0.625000 Mg\n0.669195 0.338389 0.125000 Mg\n0.661752 0.323503 0.625000 Mg\n0.669195 0.830805 0.125000 Mg\n0.661752 0.838248 0.625000 Mg\n0.333319 0.166681 0.360560 Mg\n0.333319 0.166681 0.889440 Mg\n0.333319 0.666638 0.360560 Mg\n0.333319 0.666638 0.889440 Mg\n0.833362 0.166681 0.360560 Mg\n0.833362 0.166681 0.889440 Mg\n0.833333 0.666667 0.383236 Mg\n0.833333 0.666667 0.866764 Mg\n0.166667 0.333333 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 1.9873631266466592,
"density_atomic": 0.04199587212571144,
"volume": 380.98982566918056,
"volume_molar": 14.339839739422915,
"formula_full": "Sr1 Mg14 Si1",
"formula_reduced": "SrMg14Si",
"formula_anonymous": "ABC14",
"energy": -28.2982293,
"energy_per_atom": -1.76863933125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.3692293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.408000Z",
"spacegroup": 187
},
{
"id": "mp-1034686",
"created_at": "2022-09-04T14:45:22.296244Z",
"structure_string": "Sr1 Mg14 Si1 O16\n1.0\n8.698558 0.000000 0.000000\n0.000000 8.698558 0.000000\n0.000000 0.000000 4.420119\nSr Mg Si O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.251887 0.500000 Mg\n0.000000 0.748113 0.500000 Mg\n0.500000 0.240723 0.500000 Mg\n0.500000 0.759277 0.500000 Mg\n0.251887 0.000000 0.500000 Mg\n0.240723 0.500000 0.500000 Mg\n0.748113 0.000000 0.500000 Mg\n0.759277 0.500000 0.500000 Mg\n0.245995 0.245995 0.000000 Mg\n0.245995 0.754005 0.000000 Mg\n0.754005 0.245995 0.000000 Mg\n0.754005 0.754005 0.000000 Mg\n0.000000 0.000000 0.000000 Si\n0.256791 0.000000 0.000000 O\n0.229784 0.500000 0.000000 O\n0.743209 0.000000 -0.000000 O\n0.770216 0.500000 0.000000 O\n0.249761 0.249761 0.500000 O\n0.249761 0.750239 0.500000 O\n0.750239 0.249761 0.500000 O\n0.750239 0.750239 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.256791 0.000000 O\n0.000000 0.743209 0.000000 O\n0.500000 0.229784 0.000000 O\n0.500000 0.770216 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Sr",
"density": 3.5349217282912653,
"density_atomic": 0.09568007110771606,
"volume": 334.44791197923115,
"volume_molar": 6.294038758834439,
"formula_full": "Sr1 Mg14 Si1 O16",
"formula_reduced": "SrMg14SiO16",
"formula_anonymous": "ABC14D16",
"energy": -198.55871171,
"energy_per_atom": -6.2049597409375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.56671171,
"band_gap": 1.6110000000000009,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.350000Z",
"spacegroup": 123
},
{
"id": "mp-1034698",
"created_at": "2022-09-04T14:40:17.593891Z",
"structure_string": "Sr1 Mg14 Si1 O16\n1.0\n8.746790 0.000000 0.000000\n0.000000 8.654530 0.000000\n0.000000 0.000000 4.434093\nSr Mg Si O\n1 14 1 16\ndirect\n0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.241583 0.500000 Mg\n0.000000 0.758417 0.500000 Mg\n0.500000 0.248454 0.500000 Mg\n0.500000 0.751546 0.500000 Mg\n0.253645 0.000000 0.500000 Mg\n0.260141 0.500000 0.500000 Mg\n0.746355 0.000000 0.500000 Mg\n0.739859 0.500000 0.500000 Mg\n0.258863 0.244507 -0.000000 Mg\n0.258863 0.755493 -0.000000 Mg\n0.741137 0.244507 0.000000 Mg\n0.741137 0.755493 0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.267638 0.000000 0.000000 O\n0.271194 0.500000 0.000000 O\n0.732362 0.000000 -0.000000 O\n0.728806 0.500000 -0.000000 O\n0.249368 0.249836 0.500000 O\n0.249368 0.750164 0.500000 O\n0.750632 0.249836 0.500000 O\n0.750632 0.750164 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.231478 0.000000 O\n0.000000 0.768522 -0.000000 O\n0.500000 0.248257 -0.000000 O\n0.500000 0.751743 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Sr",
"density": 3.5221780452472737,
"density_atomic": 0.0953351365961356,
"volume": 335.65798657802645,
"volume_molar": 6.316811382472081,
"formula_full": "Sr1 Mg14 Si1 O16",
"formula_reduced": "SrMg14SiO16",
"formula_anonymous": "ABC14D16",
"energy": -198.38016061,
"energy_per_atom": -6.1993800190625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.38816061,
"band_gap": 0.904300000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.760000Z",
"spacegroup": 47
},
{
"id": "mp-1028287",
"created_at": "2022-09-04T14:46:59.512595Z",
"structure_string": "Sr1 Mg14 Sn1\n1.0\n6.574970 0.049271 0.000000\n-3.244815 5.620184 0.000000\n0.000000 0.000000 10.576009\nSr Mg Sn\n1 14 1\ndirect\n0.164167 0.832083 0.125000 Sr\n0.163828 0.331914 0.625000 Mg\n0.165918 0.832959 0.625000 Mg\n0.663331 0.336331 0.125000 Mg\n0.667320 0.331757 0.625000 Mg\n0.663331 0.826999 0.125000 Mg\n0.667320 0.835562 0.625000 Mg\n0.336930 0.172932 0.385660 Mg\n0.336930 0.172932 0.864340 Mg\n0.336930 0.663998 0.385660 Mg\n0.336930 0.663998 0.864340 Mg\n0.832848 0.166424 0.372505 Mg\n0.832848 0.166424 0.877495 Mg\n0.826351 0.663176 0.385988 Mg\n0.826351 0.663176 0.864012 Mg\n0.178669 0.339334 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 2.312478373797154,
"density_atomic": 0.040764201320965705,
"volume": 392.5012506444211,
"volume_molar": 14.773111124104652,
"formula_full": "Sr1 Mg14 Sn1",
"formula_reduced": "SrMg14Sn",
"formula_anonymous": "ABC14",
"energy": -28.35807606,
"energy_per_atom": -1.77237975375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.35807606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.047000Z",
"spacegroup": 38
},
{
"id": "mp-1028280",
"created_at": "2022-09-04T14:40:32.575163Z",
"structure_string": "Sr1 Mg14 Sn1\n1.0\n6.520139 0.000000 0.000000\n-3.260069 5.646605 0.000000\n0.000000 0.000000 10.660389\nSr Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.162110 0.831054 0.125000 Mg\n0.174891 0.837445 0.625000 Mg\n0.668946 0.337890 0.125000 Mg\n0.662555 0.325109 0.625000 Mg\n0.668946 0.831054 0.125000 Mg\n0.662555 0.837445 0.625000 Mg\n0.336542 0.163458 0.367904 Mg\n0.336542 0.163458 0.882096 Mg\n0.336542 0.673085 0.367904 Mg\n0.336542 0.673085 0.882096 Mg\n0.826915 0.163458 0.367904 Mg\n0.826915 0.163458 0.882096 Mg\n0.833333 0.666667 0.381904 Mg\n0.833333 0.666667 0.868096 Mg\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 2.3126047301769135,
"density_atomic": 0.04076642872207832,
"volume": 392.4798051131397,
"volume_molar": 14.772303949054344,
"formula_full": "Sr1 Mg14 Sn1",
"formula_reduced": "SrMg14Sn",
"formula_anonymous": "ABC14",
"energy": -27.85901336,
"energy_per_atom": -1.741188335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.85901336,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.326000Z",
"spacegroup": 187
},
{
"id": "mp-1034287",
"created_at": "2022-09-04T14:39:23.070351Z",
"structure_string": "Sr1 Mg14 Sn1 O16\n1.0\n8.773352 0.000000 -0.000000\n0.000000 8.906806 0.000000\n0.000000 0.000000 4.474835\nSr Mg Sn O\n1 14 1 16\ndirect\n0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.249113 0.500000 Mg\n0.000000 0.750887 0.500000 Mg\n0.500000 0.249981 0.500000 Mg\n0.500000 0.750019 0.500000 Mg\n0.260041 -0.000000 0.500000 Mg\n0.261012 0.500000 0.500000 Mg\n0.739959 0.000000 0.500000 Mg\n0.738988 0.500000 0.500000 Mg\n0.261078 0.248687 0.000000 Mg\n0.261078 0.751313 0.000000 Mg\n0.738922 0.248687 -0.000000 Mg\n0.738922 0.751313 -0.000000 Mg\n0.000000 0.000000 -0.000000 Sn\n0.273800 -0.000000 -0.000000 O\n0.272670 0.500000 -0.000000 O\n0.726200 0.000000 0.000000 O\n0.727330 0.500000 0.000000 O\n0.250881 0.250241 0.500000 O\n0.250881 0.749759 0.500000 O\n0.749119 0.250241 0.500000 O\n0.749119 0.749759 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.247191 -0.000000 O\n0.000000 0.752809 0.000000 O\n0.500000 0.249897 0.000000 O\n0.500000 0.750103 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn-Sr",
"density": 3.8113469491690783,
"density_atomic": 0.09151355040787784,
"volume": 349.67499192606255,
"volume_molar": 6.580600067595663,
"formula_full": "Sr1 Mg14 Sn1 O16",
"formula_reduced": "SrMg14SnO16",
"formula_anonymous": "ABC14D16",
"energy": -195.72924515,
"energy_per_atom": -6.1165389109375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.73724515,
"band_gap": 2.3218,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.197000Z",
"spacegroup": 47
},
{
"id": "mp-1034297",
"created_at": "2022-09-04T14:45:30.581914Z",
"structure_string": "Sr1 Mg14 Sn1 O16\n1.0\n8.804506 0.000000 -0.000000\n0.000000 8.804506 0.000000\n-0.000000 0.000000 4.483918\nSr Mg Sn O\n1 14 1 16\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.258069 0.500000 Mg\n0.000000 0.741931 0.500000 Mg\n0.500000 0.241225 0.500000 Mg\n0.500000 0.758775 0.500000 Mg\n0.258069 0.000000 0.500000 Mg\n0.241225 0.500000 0.500000 Mg\n0.741931 0.000000 0.500000 Mg\n0.758775 0.500000 0.500000 Mg\n0.249093 0.249093 -0.000000 Mg\n0.249093 0.750907 -0.000000 Mg\n0.750907 0.249093 0.000000 Mg\n0.750907 0.750907 0.000000 Mg\n0.000000 0.000000 -0.000000 Sn\n0.268369 0.000000 -0.000000 O\n0.231206 0.500000 -0.000000 O\n0.731631 0.000000 -0.000000 O\n0.768794 0.500000 -0.000000 O\n0.250021 0.250021 0.500000 O\n0.250021 0.749979 0.500000 O\n0.749979 0.250021 0.500000 O\n0.749979 0.749979 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.268369 0.000000 O\n0.000000 0.731631 -0.000000 O\n0.500000 0.231206 0.000000 O\n0.500000 0.768794 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn-Sr",
"density": 3.8342057034667505,
"density_atomic": 0.09206240775190351,
"volume": 347.5903007689733,
"volume_molar": 6.541367868879667,
"formula_full": "Sr1 Mg14 Sn1 O16",
"formula_reduced": "SrMg14SnO16",
"formula_anonymous": "ABC14D16",
"energy": -196.44390545,
"energy_per_atom": -6.1388720453125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.45190545,
"band_gap": 7.2807,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.952000Z",
"spacegroup": 123
}
]
}