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=-nelements&page=10138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10136",
"results": [
{
"id": "mp-15442",
"created_at": "2022-09-04T14:39:42.670429Z",
"structure_string": "Sm6 Si18 Pt30\n1.0\n8.026793 -13.902813 0.000000\n8.026793 13.902813 0.000000\n0.000000 0.000000 4.009167\nSm Si Pt\n6 18 30\ndirect\n0.609399 0.903245 0.250000 Sm\n0.706154 0.609399 0.750000 Sm\n0.903245 0.293846 0.750000 Sm\n0.096755 0.706154 0.250000 Sm\n0.293846 0.390601 0.250000 Sm\n0.390601 0.096755 0.750000 Sm\n0.448992 0.767187 0.750000 Si\n0.626776 0.060905 0.750000 Si\n0.565871 0.626776 0.250000 Si\n0.060905 0.434129 0.250000 Si\n0.939095 0.565871 0.750000 Si\n0.434129 0.373224 0.750000 Si\n0.681805 0.448992 0.250000 Si\n0.767187 0.318195 0.250000 Si\n0.232813 0.681805 0.750000 Si\n0.318195 0.551008 0.750000 Si\n0.551008 0.232813 0.250000 Si\n0.373224 0.939095 0.250000 Si\n0.750910 0.883028 0.750000 Si\n0.883028 0.132118 0.250000 Si\n0.116972 0.867882 0.750000 Si\n0.132118 0.249090 0.750000 Si\n0.249090 0.116972 0.250000 Si\n0.867882 0.750910 0.250000 Si\n0.588475 0.744613 0.750000 Pt\n0.435401 0.665116 0.250000 Pt\n0.229715 0.564599 0.250000 Pt\n0.665116 0.229715 0.750000 Pt\n0.564599 0.334884 0.750000 Pt\n0.334884 0.770285 0.250000 Pt\n0.149678 0.031563 0.750000 Pt\n0.118115 0.149678 0.250000 Pt\n0.031563 0.881885 0.250000 Pt\n0.968437 0.118115 0.750000 Pt\n0.881885 0.850322 0.750000 Pt\n0.850322 0.968437 0.250000 Pt\n0.843861 0.588475 0.250000 Pt\n0.744613 0.156139 0.250000 Pt\n0.255387 0.843861 0.750000 Pt\n0.156139 0.411525 0.750000 Pt\n0.411525 0.255387 0.250000 Pt\n0.465806 0.923529 0.750000 Pt\n0.542277 0.465806 0.250000 Pt\n0.923529 0.457723 0.250000 Pt\n0.076471 0.542277 0.750000 Pt\n0.457723 0.534194 0.750000 Pt\n0.534194 0.076471 0.250000 Pt\n0.724143 0.764620 0.250000 Pt\n0.959523 0.724143 0.750000 Pt\n0.764620 0.040477 0.750000 Pt\n0.235380 0.959523 0.250000 Pt\n0.040477 0.275857 0.250000 Pt\n0.275857 0.235380 0.750000 Pt\n0.770285 0.435401 0.750000 Pt\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Sm",
"density": 13.473174398434617,
"density_atomic": 0.06034827665570156,
"volume": 894.8059993175996,
"volume_molar": 9.978977186635277,
"formula_full": "Sm6 Si18 Pt30",
"formula_reduced": "SmSi3Pt5",
"formula_anonymous": "AB3C5",
"energy": -357.30652355,
"energy_per_atom": -6.616787473148149,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -357.30652355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057275,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.029000Z",
"spacegroup": 176
},
{
"id": "mp-1192675",
"created_at": "2022-09-04T14:39:42.673036Z",
"structure_string": "Hg2 Br12 N8\n1.0\n9.021363 0.000000 0.000000\n0.000000 9.021363 0.000000\n0.000000 0.000000 10.337020\nHg Br N\n2 12 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.738922 Br\n0.000000 0.000000 0.238922 Br\n0.500000 0.500000 0.261078 Br\n0.000000 0.000000 0.761078 Br\n0.362982 0.839485 0.500000 Br\n0.637018 0.160515 0.500000 Br\n0.137018 0.339485 0.000000 Br\n0.862982 0.660515 0.000000 Br\n0.839485 0.637018 0.500000 Br\n0.160515 0.362982 0.500000 Br\n0.339485 0.862982 0.000000 Br\n0.660515 0.137018 0.000000 Br\n0.956129 0.543871 0.750000 N\n0.043871 0.456129 0.750000 N\n0.543871 0.043871 0.250000 N\n0.456129 0.956129 0.250000 N\n0.543871 0.043871 0.750000 N\n0.456129 0.956129 0.750000 N\n0.043871 0.456129 0.250000 N\n0.956129 0.543871 0.250000 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Br",
"N"
],
"chemical_system": "Br-Hg-N",
"density": 2.905636676701354,
"density_atomic": 0.026150681290517144,
"volume": 841.2782732348056,
"volume_molar": 23.028618998862456,
"formula_full": "Hg2 Br12 N8",
"formula_reduced": "Hg(Br3N2)2",
"formula_anonymous": "AB4C6",
"energy": -89.14491992,
"energy_per_atom": -4.052041814545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.84891992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998085,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.151000Z",
"spacegroup": 128
},
{
"id": "mp-1191800",
"created_at": "2022-09-04T14:39:42.743009Z",
"structure_string": "Rb8 Fe4 S10\n1.0\n7.655850 0.000000 0.000000\n1.391997 8.377127 0.000000\n1.179658 1.977984 10.218902\nRb Fe S\n8 4 10\ndirect\n0.939773 0.893247 0.243959 Rb\n0.060227 0.106753 0.756041 Rb\n0.577698 0.167933 0.914123 Rb\n0.422302 0.832067 0.085877 Rb\n0.409849 0.786214 0.490567 Rb\n0.590151 0.213786 0.509433 Rb\n0.205446 0.576431 0.869658 Rb\n0.794554 0.423569 0.130342 Rb\n0.729071 0.762828 0.779778 Fe\n0.270929 0.237172 0.220222 Fe\n0.909487 0.583397 0.594402 Fe\n0.090513 0.416603 0.405598 Fe\n0.843023 0.803559 0.955437 S\n0.156977 0.196441 0.044563 S\n0.455493 0.900142 0.760708 S\n0.544507 0.099858 0.239292 S\n0.907116 0.841544 0.597907 S\n0.092884 0.158456 0.402093 S\n0.738841 0.495868 0.771540 S\n0.261159 0.504132 0.228460 S\n0.808761 0.543456 0.412821 S\n0.191239 0.456544 0.587179 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"S"
],
"chemical_system": "Fe-Rb-S",
"density": 3.1108152135181184,
"density_atomic": 0.03356834509505591,
"volume": 655.3793443704872,
"volume_molar": 17.939939377252667,
"formula_full": "Rb8 Fe4 S10",
"formula_reduced": "Rb4Fe2S5",
"formula_anonymous": "A2B4C5",
"energy": -106.73997194000002,
"energy_per_atom": -4.851816906363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.70997194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0016909,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.542000Z",
"spacegroup": 2
},
{
"id": "mp-1185238",
"created_at": "2022-09-04T14:39:42.717775Z",
"structure_string": "Li1 Ti1 Pd2\n1.0\n0.000000 3.084280 3.084280\n3.084280 0.000000 3.084280\n3.084280 3.084280 0.000000\nLi Ti Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Pd"
],
"chemical_system": "Li-Pd-Ti",
"density": 7.5739373982260165,
"density_atomic": 0.06816612436529702,
"volume": 58.68017343283751,
"volume_molar": 8.834506605843996,
"formula_full": "Li1 Ti1 Pd2",
"formula_reduced": "LiTiPd2",
"formula_anonymous": "ABC2",
"energy": -22.30085451,
"energy_per_atom": -5.5752136275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.30085451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.233000Z",
"spacegroup": 225
},
{
"id": "mp-1071252",
"created_at": "2022-09-04T14:39:42.854260Z",
"structure_string": "La1 Ga2 Rh3\n1.0\n2.848568 -4.933865 0.000000\n2.848568 4.933865 0.000000\n0.000000 0.000000 3.848376\nLa Ga Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ga",
"Rh"
],
"chemical_system": "Ga-La-Rh",
"density": 9.011895291679295,
"density_atomic": 0.055466390353023844,
"volume": 108.17361580250913,
"volume_molar": 10.857279014681174,
"formula_full": "La1 Ga2 Rh3",
"formula_reduced": "LaGa2Rh3",
"formula_anonymous": "AB2C3",
"energy": -37.97171777,
"energy_per_atom": -6.328619628333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.97171777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.007000Z",
"spacegroup": 191
},
{
"id": "mp-1068813",
"created_at": "2022-09-04T14:39:42.856958Z",
"structure_string": "K2 Te2 Pd1\n1.0\n-2.046674 4.337572 5.441414\n2.046674 -4.337572 5.441414\n2.046674 4.337572 -5.441414\nK Te Pd\n2 2 1\ndirect\n0.717500 0.717500 0.000000 K\n0.282500 0.282500 0.000000 K\n0.801611 0.500000 0.301611 Te\n0.198389 0.500000 0.698389 Te\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Te",
"Pd"
],
"chemical_system": "K-Pd-Te",
"density": 3.7796673934790506,
"density_atomic": 0.02587634149936485,
"volume": 193.226697063135,
"volume_molar": 23.27276736608155,
"formula_full": "K2 Te2 Pd1",
"formula_reduced": "K2Te2Pd",
"formula_anonymous": "AB2C2",
"energy": -18.12095933,
"energy_per_atom": -3.6241918660000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.27695933,
"band_gap": 0.9208,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.87e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.271000Z",
"spacegroup": 71
},
{
"id": "mp-1247277",
"created_at": "2022-09-04T14:39:42.857878Z",
"structure_string": "Mn6 Fe2 N6\n1.0\n6.627190 -0.007377 0.000000\n-3.319892 5.728146 0.000000\n0.000000 0.000000 3.947458\nMn Fe N\n6 2 6\ndirect\n0.828967 0.656144 0.250000 Mn\n0.826961 0.171275 0.250000 Mn\n0.344464 0.173045 0.250000 Mn\n0.171033 0.343856 0.750000 Mn\n0.173039 0.828725 0.750000 Mn\n0.655536 0.826955 0.750000 Mn\n0.667022 0.333860 0.750000 Fe\n0.332978 0.666140 0.250000 Fe\n0.827057 0.652943 0.750000 N\n0.825224 0.173131 0.750000 N\n0.347544 0.175300 0.750000 N\n0.172943 0.347057 0.250000 N\n0.174776 0.826869 0.250000 N\n0.652456 0.824700 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"N"
],
"chemical_system": "Fe-Mn-N",
"density": 5.825377747917233,
"density_atomic": 0.09348615376155213,
"volume": 149.7547972260011,
"volume_molar": 6.441746202715973,
"formula_full": "Mn6 Fe2 N6",
"formula_reduced": "Mn3FeN3",
"formula_anonymous": "AB3C3",
"energy": -126.61567307,
"energy_per_atom": -9.043976647857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.44967307,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.722218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.035000Z",
"spacegroup": 194
},
{
"id": "mp-10163",
"created_at": "2022-09-04T14:39:42.871173Z",
"structure_string": "Na2 Al2 Te4\n1.0\n-4.154953 4.154953 3.437883\n4.154953 -4.154953 3.437883\n4.154953 4.154953 -3.437883\nNa Al Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.173307 0.673307 0.846613 Te\n0.326693 0.173307 0.500000 Te\n0.673307 0.826693 0.500000 Te\n0.826693 0.326693 0.153387 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Al",
"Te"
],
"chemical_system": "Al-Na-Te",
"density": 4.2691309588580015,
"density_atomic": 0.03369819757250666,
"volume": 237.40142133082387,
"volume_molar": 17.870809698478595,
"formula_full": "Na2 Al2 Te4",
"formula_reduced": "NaAlTe2",
"formula_anonymous": "ABC2",
"energy": -29.76093014,
"energy_per_atom": -3.7201162675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.07293014,
"band_gap": 1.2875000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.43e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.445000Z",
"spacegroup": 140
},
{
"id": "mp-30931",
"created_at": "2022-09-04T14:39:42.977789Z",
"structure_string": "Na16 Si4 Se16\n1.0\n7.215669 0.000000 0.000000\n0.000000 9.313421 0.000000\n0.000000 0.000000 14.445857\nNa Si Se\n16 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.996623 0.750000 0.454460 Na\n0.496623 0.250000 0.045540 Na\n0.003377 0.250000 0.545540 Na\n0.503377 0.750000 0.954460 Na\n0.859737 0.051652 0.267283 Na\n0.359737 0.948348 0.232717 Na\n0.140263 0.551652 0.732717 Na\n0.640263 0.448348 0.767283 Na\n0.140263 0.948348 0.732717 Na\n0.640263 0.051652 0.767283 Na\n0.859737 0.448348 0.267283 Na\n0.359737 0.551652 0.232717 Na\n0.779897 0.750000 0.164936 Si\n0.279897 0.250000 0.335064 Si\n0.220103 0.250000 0.835064 Si\n0.720103 0.750000 0.664936 Si\n0.657364 0.548908 0.095541 Se\n0.157364 0.451092 0.404459 Se\n0.342636 0.048908 0.904459 Se\n0.842636 0.951092 0.595541 Se\n0.342636 0.451092 0.904459 Se\n0.842636 0.548908 0.595541 Se\n0.657364 0.951092 0.095541 Se\n0.157364 0.048908 0.404459 Se\n0.684736 0.750000 0.317392 Se\n0.184736 0.250000 0.182608 Se\n0.315264 0.250000 0.682608 Se\n0.815264 0.750000 0.817392 Se\n0.094414 0.750000 0.139182 Se\n0.594414 0.250000 0.360818 Se\n0.905586 0.250000 0.860818 Se\n0.405586 0.750000 0.639182 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Si",
"Se"
],
"chemical_system": "Na-Se-Si",
"density": 2.9823007798685524,
"density_atomic": 0.03708287108690133,
"volume": 970.7986179289168,
"volume_molar": 16.239683129948325,
"formula_full": "Na16 Si4 Se16",
"formula_reduced": "Na4SiSe4",
"formula_anonymous": "AB4C4",
"energy": -140.83757326999998,
"energy_per_atom": -3.912154813055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.28557327,
"band_gap": 2.1322,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004853,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.688000Z",
"spacegroup": 62
},
{
"id": "mp-11739",
"created_at": "2022-09-04T14:39:42.717931Z",
"structure_string": "K1 La1 Te2\n1.0\n8.330805 -2.361871 0.000000\n8.330805 2.361871 0.000000\n7.661190 0.000000 4.035706\nK La Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 La\n0.261459 0.261459 0.261459 Te\n0.738541 0.738541 0.738541 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"La",
"Te"
],
"chemical_system": "K-La-Te",
"density": 4.529483333709461,
"density_atomic": 0.0251864716829208,
"volume": 158.8154168776423,
"volume_molar": 23.91021988238104,
"formula_full": "K1 La1 Te2",
"formula_reduced": "KLaTe2",
"formula_anonymous": "ABC2",
"energy": -19.14765393,
"energy_per_atom": -4.7869134825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30365393,
"band_gap": 1.7012999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000954,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.291000Z",
"spacegroup": 166
},
{
"id": "mp-1193428",
"created_at": "2022-09-04T14:39:42.745881Z",
"structure_string": "Pr4 Ni20 Sn4\n1.0\n2.465652 -4.270634 0.000000\n2.465652 4.270634 0.000000\n0.000000 0.000000 19.748108\nPr Ni Sn\n4 20 4\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.834342 0.165658 0.354017 Ni\n0.834342 0.668684 0.354017 Ni\n0.331316 0.165658 0.354017 Ni\n0.165658 0.834342 0.645983 Ni\n0.165658 0.331316 0.645983 Ni\n0.668684 0.834342 0.645983 Ni\n0.165658 0.834342 0.854017 Ni\n0.165658 0.331316 0.854017 Ni\n0.668684 0.834342 0.854017 Ni\n0.834342 0.165658 0.145983 Ni\n0.834342 0.668684 0.145983 Ni\n0.331316 0.165658 0.145983 Ni\n0.333333 0.666667 0.956553 Ni\n0.666667 0.333333 0.043447 Ni\n0.666667 0.333333 0.456553 Ni\n0.333333 0.666667 0.543447 Ni\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.333333 0.666667 0.412378 Sn\n0.666667 0.333333 0.587622 Sn\n0.666667 0.333333 0.912378 Sn\n0.333333 0.666667 0.087622 Sn\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Pr-Sn",
"density": 8.833261164672098,
"density_atomic": 0.06732531717399139,
"volume": 415.8910967717914,
"volume_molar": 8.94483830568039,
"formula_full": "Pr4 Ni20 Sn4",
"formula_reduced": "PrNi5Sn",
"formula_anonymous": "ABC5",
"energy": -159.7062426,
"energy_per_atom": -5.703794378571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.7062426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7581793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.313000Z",
"spacegroup": 194
},
{
"id": "mp-1105815",
"created_at": "2022-09-04T14:39:42.751717Z",
"structure_string": "Nd1 Co12 B6\n1.0\n3.682963 -4.710795 0.000000\n3.682963 4.710795 0.000000\n-2.342508 0.000000 5.501678\nNd Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Nd\n0.541500 0.813397 0.541500 Co\n0.541500 0.541500 0.813397 Co\n0.813397 0.541500 0.541500 Co\n0.458500 0.186603 0.458500 Co\n0.458500 0.458500 0.186603 Co\n0.186603 0.458500 0.458500 Co\n0.132949 0.867051 0.500000 Co\n0.500000 0.132949 0.867051 Co\n0.867051 0.500000 0.132949 Co\n0.500000 0.867051 0.132949 Co\n0.132949 0.500000 0.867051 Co\n0.867051 0.132949 0.500000 Co\n0.768227 0.326051 0.768227 B\n0.768227 0.768227 0.326051 B\n0.326051 0.768227 0.768227 B\n0.231773 0.673949 0.231773 B\n0.231773 0.231773 0.673949 B\n0.673949 0.231773 0.231773 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Nd",
"Co",
"B"
],
"chemical_system": "B-Co-Nd",
"density": 7.970270544801261,
"density_atomic": 0.09952607460083511,
"volume": 190.9047460798838,
"volume_molar": 6.050817119184835,
"formula_full": "Nd1 Co12 B6",
"formula_reduced": "Nd(Co2B)6",
"formula_anonymous": "AB6C12",
"energy": -136.68477224,
"energy_per_atom": -7.193935381052632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.68477224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.951934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.084000Z",
"spacegroup": 166
}
]
}