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=is_stable&page=29",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=27",
"results": [
{
"id": "mp-1205423",
"created_at": "2022-09-04T14:45:20.864706Z",
"structure_string": "Na4 Li4 Ti12 O28\n1.0\n0.000000 0.000000 5.770372\n8.320150 5.667686 0.000000\n-8.320150 5.667686 0.000000\nNa Li Ti O\n4 4 12 28\ndirect\n0.255323 0.119327 0.119327 Na\n0.744677 0.880673 0.880673 Na\n0.255323 0.380673 0.380673 Na\n0.744677 0.619327 0.619327 Na\n0.259536 0.066530 0.433470 Li\n0.740464 0.566530 0.933470 Li\n0.740464 0.933470 0.566530 Li\n0.259536 0.433470 0.066530 Li\n0.500000 0.250000 0.750000 Ti\n0.500000 0.750000 0.250000 Ti\n0.000000 0.250000 0.750000 Ti\n0.000000 0.750000 0.250000 Ti\n0.752128 0.268190 0.485909 Ti\n0.247872 0.514091 0.731810 Ti\n0.752128 0.014091 0.231810 Ti\n0.247872 0.768190 0.985909 Ti\n0.247872 0.731810 0.514091 Ti\n0.752128 0.485909 0.268190 Ti\n0.247872 0.985909 0.768190 Ti\n0.752128 0.231810 0.014091 Ti\n0.250374 0.852140 0.380048 O\n0.749626 0.619952 0.147860 O\n0.250374 0.119952 0.647860 O\n0.749626 0.352140 0.880048 O\n0.749626 0.147860 0.619952 O\n0.250374 0.380048 0.852140 O\n0.749626 0.880048 0.352140 O\n0.250374 0.647860 0.119952 O\n0.500000 0.368491 0.631509 O\n0.500000 0.868491 0.131509 O\n0.500000 0.631509 0.368491 O\n0.500000 0.131509 0.868491 O\n0.000000 0.131831 0.868169 O\n0.000000 0.631831 0.368169 O\n0.000000 0.868169 0.131831 O\n0.000000 0.368169 0.631831 O\n0.528348 0.145058 0.354942 O\n0.471652 0.645058 0.854942 O\n0.471652 0.854942 0.645058 O\n0.528348 0.354942 0.145058 O\n0.753024 0.415833 0.415833 O\n0.246976 0.584167 0.584167 O\n0.753024 0.084167 0.084167 O\n0.246976 0.915833 0.915833 O\n0.024040 0.856875 0.643125 O\n0.975960 0.356875 0.143125 O\n0.975960 0.143125 0.356875 O\n0.024040 0.643125 0.856875 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ti",
"O"
],
"chemical_system": "Li-Na-O-Ti",
"density": 3.4848684762344724,
"density_atomic": 0.08820038732151876,
"volume": 544.2152972075346,
"volume_molar": 6.827794007352099,
"formula_full": "Na4 Li4 Ti12 O28",
"formula_reduced": "NaLiTi3O7",
"formula_anonymous": "ABC3D7",
"energy": -400.12784215,
"energy_per_atom": -8.335996711458334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -380.89184215,
"band_gap": 2.5955,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.241000Z",
"spacegroup": 67
},
{
"id": "mp-17867",
"created_at": "2022-09-04T14:45:20.872216Z",
"structure_string": "Mn4 Nb2 P24\n1.0\n2.895786 8.056593 0.000000\n-2.895786 8.056593 0.000000\n0.000000 4.624202 9.634225\nMn Nb P\n4 2 24\ndirect\n0.372028 0.992413 0.454336 Mn\n0.007587 0.627972 0.045664 Mn\n0.627972 0.007587 0.545664 Mn\n0.992413 0.372028 0.954336 Mn\n0.304134 0.695866 0.250000 Nb\n0.695866 0.304134 0.750000 Nb\n0.595975 0.951542 0.074180 P\n0.048458 0.404025 0.425820 P\n0.404025 0.048458 0.925820 P\n0.951542 0.595975 0.574180 P\n0.583118 0.291897 0.165302 P\n0.708103 0.416882 0.334698 P\n0.980170 0.332194 0.758128 P\n0.667806 0.019830 0.741872 P\n0.019830 0.667806 0.241872 P\n0.332194 0.980170 0.258128 P\n0.015902 0.917846 0.927735 P\n0.082154 0.984098 0.572265 P\n0.984098 0.082154 0.072265 P\n0.917846 0.015902 0.427735 P\n0.333161 0.432776 0.504157 P\n0.567224 0.666839 0.995843 P\n0.666839 0.567224 0.495843 P\n0.432776 0.333161 0.004157 P\n0.994773 0.649115 0.835586 P\n0.350885 0.005227 0.664414 P\n0.005227 0.350885 0.164414 P\n0.649115 0.994773 0.335586 P\n0.291897 0.583118 0.665302 P\n0.416882 0.708103 0.834698 P\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"P"
],
"chemical_system": "Mn-Nb-P",
"density": 4.244044940349101,
"density_atomic": 0.06673544880994929,
"volume": 449.536199051192,
"volume_molar": 9.023900891338855,
"formula_full": "Mn4 Nb2 P24",
"formula_reduced": "Mn2NbP12",
"formula_anonymous": "AB2C12",
"energy": -198.17397487,
"energy_per_atom": -6.605799162333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.17397487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4149885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.083000Z",
"spacegroup": 15
},
{
"id": "mp-1222327",
"created_at": "2022-09-04T14:45:20.880177Z",
"structure_string": "Li1 Nd1 Mo2 O8\n1.0\n-2.654021 2.654021 5.730564\n2.654021 -2.654021 5.730564\n2.654021 2.654021 -5.730564\nLi Nd Mo O\n1 1 2 8\ndirect\n0.750000 0.250000 0.500000 Li\n0.500000 0.500000 0.000000 Nd\n0.250000 0.750000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.485172 0.594378 0.406007 O\n0.188371 0.079164 0.593993 O\n0.330055 0.235088 0.397356 O\n0.837732 0.932699 0.602644 O\n0.764912 0.162268 0.094968 O\n0.067301 0.669945 0.905032 O\n0.920836 0.514828 0.109207 O\n0.405622 0.811629 0.890793 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Nd",
"Mo",
"O"
],
"chemical_system": "Li-Mo-Nd-O",
"density": 4.844596347102489,
"density_atomic": 0.07432162175556703,
"volume": 161.46041645143654,
"volume_molar": 8.102811291989754,
"formula_full": "Li1 Nd1 Mo2 O8",
"formula_reduced": "LiNd(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -97.85140686000004,
"energy_per_atom": -8.154283905000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.95140686,
"band_gap": 3.4291,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.81e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.304000Z",
"spacegroup": 82
},
{
"id": "mp-1114015",
"created_at": "2022-09-04T14:45:20.888544Z",
"structure_string": "Rb2 Na1 Tb1 Cl6\n1.0\n0.000000 5.410070 5.410070\n5.410070 0.000000 5.410070\n5.410070 5.410070 0.000000\nRb Na Tb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tb\n0.755476 0.244524 0.244524 Cl\n0.244524 0.244524 0.755476 Cl\n0.244524 0.755476 0.755476 Cl\n0.244524 0.755476 0.244524 Cl\n0.755476 0.244524 0.755476 Cl\n0.755476 0.755476 0.244524 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Tb",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Tb",
"density": 2.9654856709159723,
"density_atomic": 0.03157630811146257,
"volume": 316.6931347610547,
"volume_molar": 19.0717063525672,
"formula_full": "Rb2 Na1 Tb1 Cl6",
"formula_reduced": "Rb2NaTbCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.62714639,
"energy_per_atom": -4.362714639,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.94314639,
"band_gap": 5.1216,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.991000Z",
"spacegroup": 225
},
{
"id": "mp-1073728",
"created_at": "2022-09-04T14:45:20.896012Z",
"structure_string": "Mg2 Si2\n1.0\n3.617669 0.000000 0.000000\n0.000000 4.444750 0.000000\n0.000000 1.831498 4.791127\nMg Si\n2 2\ndirect\n0.750000 0.659422 0.716522 Mg\n0.250000 0.340578 0.283478 Mg\n0.250000 0.123462 0.846856 Si\n0.750000 0.876538 0.153144 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2584879947884082,
"density_atomic": 0.05192136976774847,
"volume": 77.0395699861648,
"volume_molar": 11.598578363663892,
"formula_full": "Mg2 Si2",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -13.99241458,
"energy_per_atom": -3.498103645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.13441458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.821000Z",
"spacegroup": 11
},
{
"id": "mp-1223858",
"created_at": "2022-09-04T14:45:20.898916Z",
"structure_string": "Ho1 Co4 Cu1\n1.0\n0.000000 0.000000 -3.977000\n-2.455860 -4.250965 0.000000\n-2.452635 4.249103 0.000000\nHo Co Cu\n1 4 1\ndirect\n0.000000 0.999987 0.000005 Ho\n0.000000 0.666560 0.333263 Co\n0.500000 0.500845 0.001700 Co\n0.500000 0.500843 0.499151 Co\n0.500000 0.998270 0.499137 Co\n0.000000 0.333395 0.666744 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Ho",
"density": 9.291085602680273,
"density_atomic": 0.07231942501586366,
"volume": 82.96526138978382,
"volume_molar": 8.327141371324522,
"formula_full": "Ho1 Co4 Cu1",
"formula_reduced": "HoCo4Cu",
"formula_anonymous": "ABC4",
"energy": -37.80772908,
"energy_per_atom": -6.30128818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.80772908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2327977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.214000Z",
"spacegroup": 187
},
{
"id": "mp-1101024",
"created_at": "2022-09-04T14:45:20.855293Z",
"structure_string": "Ti4 Zn8 O16\n1.0\n6.074403 0.000000 0.000000\n0.000000 6.074403 0.000000\n0.000000 0.000000 12.834414\nTi Zn O\n4 8 16\ndirect\n0.153669 0.500000 0.250000 Ti\n0.500000 0.846331 0.500000 Ti\n0.500000 0.153669 0.000000 Ti\n0.846331 0.500000 0.750000 Ti\n0.000000 0.449665 0.000000 Zn\n0.000000 0.550335 0.500000 Zn\n0.361443 0.361443 0.625000 Zn\n0.361443 0.638557 0.875000 Zn\n0.449665 0.000000 0.250000 Zn\n0.550335 0.000000 0.750000 Zn\n0.638557 0.361443 0.375000 Zn\n0.638557 0.638557 0.125000 Zn\n0.572993 0.044147 0.395990 O\n0.572993 0.955853 0.104010 O\n0.378878 0.701661 0.248809 O\n0.378878 0.298339 0.251191 O\n0.044147 0.572993 0.854010 O\n0.044147 0.427007 0.645990 O\n0.701661 0.378878 0.001191 O\n0.701661 0.621122 0.498809 O\n0.298339 0.378878 0.998809 O\n0.298339 0.621122 0.501191 O\n0.955853 0.572993 0.145990 O\n0.955853 0.427007 0.354010 O\n0.621122 0.701661 0.751191 O\n0.621122 0.298339 0.748809 O\n0.427007 0.044147 0.604010 O\n0.427007 0.955853 0.895990 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 3.403803503754681,
"density_atomic": 0.05912549428040135,
"volume": 473.568979689381,
"volume_molar": 10.185353768782264,
"formula_full": "Ti4 Zn8 O16",
"formula_reduced": "TiZn2O4",
"formula_anonymous": "AB2C4",
"energy": -183.47147446,
"energy_per_atom": -6.552552659285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.47947446,
"band_gap": 1.8453,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.557000Z",
"spacegroup": 95
},
{
"id": "mp-28700",
"created_at": "2022-09-04T14:45:20.872877Z",
"structure_string": "Fe4 Pb6 F24\n1.0\n7.537985 0.000000 0.000000\n-0.880749 7.762945 0.000000\n-3.096477 -3.834764 8.746891\nFe Pb F\n4 6 24\ndirect\n0.673030 0.735360 0.434528 Fe\n0.326970 0.264640 0.565472 Fe\n0.010987 0.205382 0.790339 Fe\n0.989013 0.794618 0.209661 Fe\n0.594747 0.231275 0.969200 Pb\n0.405253 0.768725 0.030800 Pb\n0.235107 0.780870 0.618482 Pb\n0.764893 0.219130 0.381518 Pb\n0.810592 0.668693 0.797354 Pb\n0.189408 0.331307 0.202646 Pb\n0.859265 0.318458 0.203835 F\n0.140735 0.681542 0.796165 F\n0.516047 0.888296 0.859389 F\n0.483953 0.111704 0.140611 F\n0.567418 0.897701 0.341362 F\n0.432582 0.102299 0.658638 F\n0.821640 0.584003 0.530761 F\n0.178360 0.415997 0.469239 F\n0.487387 0.289565 0.454048 F\n0.512613 0.710435 0.545952 F\n0.107551 0.848926 0.075775 F\n0.892449 0.151074 0.924225 F\n0.192070 0.418344 0.969427 F\n0.807930 0.581656 0.030573 F\n0.202218 0.064754 0.832580 F\n0.797782 0.935246 0.167420 F\n0.168921 0.649024 0.267999 F\n0.831079 0.350976 0.732001 F\n0.158559 0.037085 0.376493 F\n0.841441 0.962915 0.623507 F\n0.107667 0.241804 0.636650 F\n0.892333 0.758196 0.363350 F\n0.476551 0.485204 0.747757 F\n0.523449 0.514796 0.252243 F\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Fe",
"Pb",
"F"
],
"chemical_system": "F-Fe-Pb",
"density": 6.237195659191486,
"density_atomic": 0.06642681419607001,
"volume": 511.841496713108,
"volume_molar": 9.065828058868865,
"formula_full": "Fe4 Pb6 F24",
"formula_reduced": "Fe2Pb3F12",
"formula_anonymous": "A2B3C12",
"energy": -192.76043227,
"energy_per_atom": -5.669424478529412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.64843227,
"band_gap": 2.838,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0086444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.436000Z",
"spacegroup": 2
},
{
"id": "mp-23202",
"created_at": "2022-09-04T14:45:20.901653Z",
"structure_string": "In2 I2\n1.0\n2.429400 -6.499543 0.000000\n2.429400 6.499543 0.000000\n0.000000 0.000000 4.952369\nIn I\n2 2\ndirect\n0.395410 0.604590 0.750000 In\n0.604590 0.395410 0.250000 In\n0.142791 0.857209 0.750000 I\n0.857209 0.142791 0.250000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 5.133000138027742,
"density_atomic": 0.02557614884787906,
"volume": 156.39571163708277,
"volume_molar": 23.54592474347206,
"formula_full": "In2 I2",
"formula_reduced": "InI",
"formula_anonymous": "AB",
"energy": -11.17605535,
"energy_per_atom": -2.7940138375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.41805535,
"band_gap": 1.3412000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.003912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.888000Z",
"spacegroup": 63
},
{
"id": "mp-1029357",
"created_at": "2022-09-04T14:45:20.960305Z",
"structure_string": "Na2 Zn2 N2\n1.0\n1.725184 -2.988107 0.000000\n1.725184 2.988107 0.000000\n0.000000 0.000000 8.687220\nNa Zn N\n2 2 2\ndirect\n0.666667 0.333333 0.761086 Na\n0.333333 0.666667 0.261086 Na\n0.000000 0.000000 0.530924 Zn\n0.000000 0.000000 0.030924 Zn\n0.333333 0.666667 0.552630 N\n0.666667 0.333333 0.052630 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Zn",
"N"
],
"chemical_system": "N-Na-Zn",
"density": 3.797168443523481,
"density_atomic": 0.06698982883924016,
"volume": 89.56583564944745,
"volume_molar": 8.989634492799976,
"formula_full": "Na2 Zn2 N2",
"formula_reduced": "NaZnN",
"formula_anonymous": "ABC",
"energy": -22.4986507,
"energy_per_atom": -3.7497751166666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.7766507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.913000Z",
"spacegroup": 186
},
{
"id": "mp-761197",
"created_at": "2022-09-04T14:45:20.963116Z",
"structure_string": "V8 O10 F14\n1.0\n5.269167 0.000000 0.000000\n2.617595 4.670879 0.000000\n2.510096 0.815136 17.127543\nV O F\n8 10 14\ndirect\n0.358698 0.396357 0.879705 V\n0.860619 0.909276 0.380176 V\n0.703456 0.789719 0.748191 V\n0.206012 0.294440 0.247706 V\n0.126026 0.147781 0.631241 V\n0.630552 0.654424 0.131036 V\n0.982686 0.980937 0.003033 V\n0.478134 0.528331 0.505358 V\n0.266959 0.678586 0.933016 O\n0.764440 0.185254 0.435348 O\n0.495944 0.053039 0.809994 O\n0.016642 0.425824 0.686655 O\n0.999715 0.555654 0.309389 O\n0.507771 0.907281 0.670008 O\n0.013987 0.405114 0.169034 O\n0.804604 0.799603 0.042272 O\n0.521905 0.924961 0.189296 O\n0.246140 0.803604 0.561213 O\n0.756616 0.163906 0.912834 F\n0.970474 0.935562 0.710304 F\n0.262024 0.667559 0.412395 F\n0.474202 0.435670 0.208811 F\n0.213990 0.192097 0.957740 F\n0.993955 0.564716 0.831115 F\n0.498834 0.069073 0.332078 F\n0.290768 0.286035 0.538066 F\n0.732785 0.691554 0.460065 F\n0.752838 0.309718 0.583853 F\n0.541437 0.538217 0.787733 F\n0.043315 0.042103 0.288292 F\n0.730640 0.329199 0.060582 F\n0.253830 0.834402 0.083461 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.283378530151615,
"density_atomic": 0.07591268134555103,
"volume": 421.53694788275857,
"volume_molar": 7.932983861533613,
"formula_full": "V8 O10 F14",
"formula_reduced": "V4O5F7",
"formula_anonymous": "A4B5C7",
"energy": -236.87497034,
"energy_per_atom": -7.402342823125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.93697034,
"band_gap": 1.5538,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0005087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.150000Z",
"spacegroup": 1
},
{
"id": "mp-1220929",
"created_at": "2022-09-04T14:45:19.859509Z",
"structure_string": "Na1 Si34\n1.0\n0.000000 7.360522 7.360522\n7.360522 0.000000 7.360522\n7.360522 7.360522 0.000000\nNa Si\n1 34\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.361100 0.754353 0.754353 Si\n0.754353 0.361100 0.130194 Si\n0.754353 0.130194 0.361100 Si\n0.130194 0.754353 0.754353 Si\n0.754353 0.754353 0.361100 Si\n0.361100 0.130194 0.754353 Si\n0.130194 0.361100 0.754353 Si\n0.754353 0.754353 0.130194 Si\n0.754353 0.361100 0.754353 Si\n0.130194 0.754353 0.361100 Si\n0.361100 0.754353 0.130194 Si\n0.754353 0.130194 0.754353 Si\n0.889127 0.495746 0.495746 Si\n0.495746 0.889127 0.119382 Si\n0.495746 0.119382 0.889127 Si\n0.119382 0.495746 0.495746 Si\n0.495746 0.495746 0.889127 Si\n0.889127 0.119382 0.495746 Si\n0.119382 0.889127 0.495746 Si\n0.495746 0.495746 0.119382 Si\n0.495746 0.889127 0.495746 Si\n0.119382 0.495746 0.889127 Si\n0.889127 0.495746 0.119382 Si\n0.495746 0.119382 0.495746 Si\n0.276845 0.907718 0.907718 Si\n0.907718 0.276845 0.907718 Si\n0.907718 0.907718 0.276845 Si\n0.907718 0.907718 0.907718 Si\n0.973496 0.342168 0.342168 Si\n0.342168 0.973496 0.342168 Si\n0.342168 0.342168 0.973496 Si\n0.342168 0.342168 0.342168 Si\n",
"nsites": 35,
"nelements": 2,
"elements": [
"Na",
"Si"
],
"chemical_system": "Na-Si",
"density": 2.0360398214615603,
"density_atomic": 0.043884605978145357,
"volume": 797.5461832203778,
"volume_molar": 13.722672508439615,
"formula_full": "Na1 Si34",
"formula_reduced": "NaSi34",
"formula_anonymous": "AB34",
"energy": -181.69149391,
"energy_per_atom": -5.191185540285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.10549391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3366681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.460000Z",
"spacegroup": 216
}
]
}