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=12119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12117",
"results": [
{
"id": "mp-30676",
"created_at": "2022-09-04T14:47:57.738929Z",
"structure_string": "Zr6 Ti4 Ga6\n1.0\n3.980754 -6.894868 0.000000\n3.980754 6.894868 0.000000\n0.000000 0.000000 5.497602\nZr Ti Ga\n6 4 6\ndirect\n0.242821 0.000000 0.250000 Zr\n0.242821 0.242821 0.750000 Zr\n0.000000 0.757179 0.750000 Zr\n0.000000 0.242821 0.250000 Zr\n0.757179 0.757179 0.250000 Zr\n0.757179 0.000000 0.750000 Zr\n0.666667 0.333333 0.000000 Ti\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.000000 Ti\n0.598499 0.000000 0.250000 Ga\n0.401501 0.000000 0.750000 Ga\n0.000000 0.598499 0.250000 Ga\n0.000000 0.401501 0.750000 Ga\n0.598499 0.598499 0.750000 Ga\n0.401501 0.401501 0.250000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti-Zr",
"density": 6.367136630229331,
"density_atomic": 0.053018250755589365,
"volume": 301.7828723501072,
"volume_molar": 11.358618351559109,
"formula_full": "Zr6 Ti4 Ga6",
"formula_reduced": "Zr3Ti2Ga3",
"formula_anonymous": "A2B3C3",
"energy": -109.23584201,
"energy_per_atom": -6.827240125625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.23584201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3823921,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27Z",
"spacegroup": 193
},
{
"id": "mp-866037",
"created_at": "2022-09-04T14:47:57.742406Z",
"structure_string": "Ga1 Ni1 Rh2\n1.0\n0.000000 2.997428 2.997428\n2.997428 0.000000 2.997428\n2.997428 2.997428 0.000000\nGa Ni Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"Rh"
],
"chemical_system": "Ga-Ni-Rh",
"density": 10.304214072332641,
"density_atomic": 0.07426491973573002,
"volume": 53.86123103928351,
"volume_molar": 8.108997870636161,
"formula_full": "Ga1 Ni1 Rh2",
"formula_reduced": "GaNiRh2",
"formula_anonymous": "ABC2",
"energy": -24.9023846,
"energy_per_atom": -6.22559615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.9023846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8120697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.226000Z",
"spacegroup": 225
},
{
"id": "mp-1174551",
"created_at": "2022-09-04T14:47:57.765085Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.450037 7.679306 0.000000\n-1.450037 7.679306 0.000000\n0.000000 3.416590 9.726845\nLi Mn Co O\n7 2 3 12\ndirect\n0.663209 0.663209 0.092007 Li\n0.666243 0.666243 0.578743 Li\n0.997837 0.997837 0.268115 Li\n0.002163 0.002163 0.731885 Li\n0.336791 0.336791 0.907993 Li\n0.333757 0.333757 0.421257 Li\n0.500000 0.500000 0.500000 Li\n0.169197 0.169197 0.830107 Mn\n0.830803 0.830803 0.169893 Mn\n0.151972 0.151972 0.353775 Co\n0.500000 0.500000 0.000000 Co\n0.848028 0.848028 0.646225 Co\n0.739733 0.739733 0.872648 O\n0.748619 0.748619 0.357193 O\n0.082783 0.082783 0.022540 O\n0.089215 0.089215 0.532620 O\n0.411518 0.411518 0.710927 O\n0.404980 0.404980 0.208210 O\n0.588482 0.588482 0.289073 O\n0.595020 0.595020 0.791790 O\n0.910785 0.910785 0.467380 O\n0.917217 0.917217 0.977460 O\n0.260267 0.260267 0.127352 O\n0.251381 0.251381 0.642807 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.041728596185532,
"density_atomic": 0.11079194667074578,
"volume": 216.62224305277158,
"volume_molar": 5.435540164211344,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -155.93900685,
"energy_per_atom": -6.49745861875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.44500685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.6030546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.147000Z",
"spacegroup": 12
},
{
"id": "mp-41605",
"created_at": "2022-09-04T14:47:57.770119Z",
"structure_string": "Na1 Mn1 Cr1 C6 N6\n1.0\n0.000000 5.103954 5.103954\n5.103954 0.000000 5.103954\n5.103954 5.103954 0.000000\nNa Mn Cr C N\n1 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Cr\n0.695791 0.304209 0.695791 C\n0.695791 0.304209 0.304209 C\n0.695791 0.695791 0.304209 C\n0.304209 0.304209 0.695791 C\n0.304209 0.695791 0.695791 C\n0.304209 0.695791 0.304209 C\n0.811206 0.188794 0.811206 N\n0.811206 0.188794 0.188794 N\n0.811206 0.811206 0.188794 N\n0.188794 0.188794 0.811206 N\n0.188794 0.811206 0.811206 N\n0.188794 0.811206 0.188794 N\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Na",
"Mn",
"Cr",
"C",
"N"
],
"chemical_system": "C-Cr-Mn-N-Na",
"density": 1.786108649371169,
"density_atomic": 0.056408039864652745,
"volume": 265.9195397675842,
"volume_molar": 10.67603266209873,
"formula_full": "Na1 Mn1 Cr1 C6 N6",
"formula_reduced": "NaMnCr(CN)6",
"formula_anonymous": "ABCD6E6",
"energy": -125.79855822,
"energy_per_atom": -8.386570548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.63255822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8757687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.865000Z",
"spacegroup": 216
},
{
"id": "mp-1093726",
"created_at": "2022-09-04T14:47:57.774316Z",
"structure_string": "Bi1 Pd2 Au1\n1.0\n-5.069831 5.732505 8.101903\n5.069831 -5.732505 8.101903\n5.069831 5.732505 -8.101903\nBi Pd Au\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Bi\n0.000000 0.256667 0.256667 Pd\n0.000000 0.743333 0.743333 Pd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"Au"
],
"chemical_system": "Au-Bi-Pd",
"density": 1.090951142332631,
"density_atomic": 0.004246929345844258,
"volume": 941.8569687094312,
"volume_molar": 141.79988103387774,
"formula_full": "Bi1 Pd2 Au1",
"formula_reduced": "BiPd2Au",
"formula_anonymous": "ABC2",
"energy": -11.4101612,
"energy_per_atom": -2.8525403,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.4101612,
"band_gap": 0.3959999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.880000Z",
"spacegroup": 71
},
{
"id": "mp-1217121",
"created_at": "2022-09-04T14:47:57.834489Z",
"structure_string": "Ti3 S4\n1.0\n1.703214 -2.950053 0.000000\n1.703214 2.950053 0.000000\n0.000000 0.000000 12.085770\nTi S\n3 4\ndirect\n0.333333 0.666667 0.244483 Ti\n0.666667 0.333333 0.755517 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.872556 S\n0.666667 0.333333 0.127444 S\n0.666667 0.333333 0.376345 S\n0.333333 0.666667 0.623655 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.717000761259412,
"density_atomic": 0.05763611278538227,
"volume": 121.45163269538448,
"volume_molar": 10.448554680334622,
"formula_full": "Ti3 S4",
"formula_reduced": "Ti3S4",
"formula_anonymous": "A3B4",
"energy": -50.65117146,
"energy_per_atom": -7.235881637142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.63917146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.820000Z",
"spacegroup": 164
},
{
"id": "mp-1223649",
"created_at": "2022-09-04T14:47:57.762346Z",
"structure_string": "K4 Nb8 P8 S48\n1.0\n-6.682446 8.079197 8.095966\n6.682446 -8.079197 8.095966\n6.682446 8.079197 -8.095966\nK Nb P S\n4 8 8 48\ndirect\n0.318456 0.250000 0.568456 K\n0.181544 0.750000 0.931544 K\n0.681544 0.750000 0.431544 K\n0.818456 0.250000 0.068456 K\n0.250406 0.556717 0.444854 Nb\n0.611863 0.805552 0.055146 Nb\n0.249594 0.694448 0.306311 Nb\n0.888137 0.943283 0.193689 Nb\n0.111863 0.056717 0.806311 Nb\n0.750406 0.305552 0.693689 Nb\n0.388137 0.194448 0.944854 Nb\n0.749594 0.443283 0.555146 Nb\n0.430777 0.680777 0.750000 P\n0.069223 0.819223 0.250000 P\n0.930084 0.750000 0.680084 P\n0.569916 0.250000 0.819916 P\n0.930777 0.180777 0.750000 P\n0.569223 0.319223 0.250000 P\n0.430084 0.750000 0.180084 P\n0.069916 0.250000 0.319916 P\n0.749154 0.701389 0.040410 S\n0.160979 0.708744 0.459590 S\n0.750846 0.791256 0.952235 S\n0.339021 0.798611 0.547765 S\n0.661188 0.459318 0.708136 S\n0.251182 0.953052 0.791864 S\n0.838812 0.546948 0.798130 S\n0.248818 0.040682 0.701870 S\n0.466422 0.339039 0.872409 S\n0.966631 0.594013 0.627591 S\n0.033578 0.905987 0.872617 S\n0.533369 0.160961 0.627383 S\n0.465226 0.625850 0.592965 S\n0.532885 0.872261 0.907035 S\n0.034774 0.627739 0.160624 S\n0.967115 0.874150 0.339376 S\n0.839021 0.291256 0.540410 S\n0.250846 0.298611 0.959590 S\n0.660979 0.201389 0.452235 S\n0.249154 0.208744 0.047765 S\n0.751182 0.959318 0.298130 S\n0.161188 0.453052 0.201870 S\n0.748818 0.046948 0.208136 S\n0.338812 0.540682 0.291864 S\n0.245291 0.333814 0.373707 S\n0.460107 0.871584 0.126293 S\n0.254709 0.628416 0.088523 S\n0.039893 0.166186 0.411477 S\n0.959223 0.125495 0.870656 S\n0.754840 0.088567 0.629345 S\n0.540777 0.411433 0.166272 S\n0.745160 0.374505 0.333728 S\n0.254840 0.625495 0.666272 S\n0.459223 0.588567 0.833728 S\n0.245160 0.911433 0.370655 S\n0.040777 0.874505 0.129345 S\n0.960107 0.833814 0.588523 S\n0.745291 0.371584 0.911477 S\n0.539893 0.128416 0.873707 S\n0.754709 0.666186 0.626293 S\n0.033369 0.405987 0.372409 S\n0.533578 0.660961 0.127591 S\n0.466631 0.839039 0.372617 S\n0.966422 0.094013 0.127383 S\n0.032885 0.125850 0.660624 S\n0.965226 0.372261 0.839376 S\n0.467115 0.127739 0.092965 S\n0.534774 0.374150 0.407035 S\n",
"nsites": 68,
"nelements": 4,
"elements": [
"K",
"Nb",
"P",
"S"
],
"chemical_system": "K-Nb-P-S",
"density": 2.5515988825804468,
"density_atomic": 0.038893460871742,
"volume": 1748.3658814586315,
"volume_molar": 15.4836844678314,
"formula_full": "K4 Nb8 P8 S48",
"formula_reduced": "KNb2(PS6)2",
"formula_anonymous": "AB2C2D12",
"energy": -394.67938896,
"energy_per_atom": -5.80410866117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.53538896,
"band_gap": 0.0013999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.259000Z",
"spacegroup": 73
},
{
"id": "mp-1223730",
"created_at": "2022-09-04T14:47:57.772417Z",
"structure_string": "K5 Fe10 F30\n1.0\n12.809493 0.000000 0.000000\n0.000000 12.809493 0.000000\n0.000000 0.000000 4.026656\nK Fe F\n5 10 30\ndirect\n0.328635 0.172306 0.000000 K\n0.671365 0.827694 0.000000 K\n0.827694 0.328635 0.000000 K\n0.172306 0.671365 0.000000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.285826 0.423818 0.500000 Fe\n0.714174 0.576182 0.500000 Fe\n0.793501 0.073148 0.500000 Fe\n0.206499 0.926852 0.500000 Fe\n0.576182 0.285826 0.500000 Fe\n0.423818 0.714174 0.500000 Fe\n0.926852 0.793501 0.500000 Fe\n0.073148 0.206499 0.500000 Fe\n0.156009 0.510454 0.500000 F\n0.843991 0.489546 0.500000 F\n0.658019 0.995891 0.500000 F\n0.341981 0.004109 0.500000 F\n0.489546 0.156009 0.500000 F\n0.510454 0.843991 0.500000 F\n0.004109 0.658019 0.500000 F\n0.995891 0.341981 0.500000 F\n0.215034 0.274533 0.500000 F\n0.784966 0.725467 0.500000 F\n0.725467 0.215034 0.500000 F\n0.274533 0.784966 0.500000 F\n0.291159 0.421549 0.000000 F\n0.708841 0.578451 0.000000 F\n0.790105 0.076642 0.000000 F\n0.209895 0.923358 0.000000 F\n0.578451 0.291159 0.000000 F\n0.421549 0.708841 0.000000 F\n0.923358 0.790105 0.000000 F\n0.076642 0.209895 0.000000 F\n0.358510 0.571131 0.500000 F\n0.641490 0.428869 0.500000 F\n0.855293 0.930394 0.500000 F\n0.144707 0.069606 0.500000 F\n0.428869 0.358510 0.500000 F\n0.571131 0.641490 0.500000 F\n0.069606 0.855293 0.500000 F\n0.930394 0.144707 0.500000 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 45,
"nelements": 3,
"elements": [
"K",
"Fe",
"F"
],
"chemical_system": "F-Fe-K",
"density": 3.327313854271127,
"density_atomic": 0.0681089371741287,
"volume": 660.7062430728008,
"volume_molar": 8.841924437322625,
"formula_full": "K5 Fe10 F30",
"formula_reduced": "KFe2F6",
"formula_anonymous": "AB2C6",
"energy": -269.88813367,
"energy_per_atom": -5.997514081555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.46813367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.1755223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.392000Z",
"spacegroup": 83
},
{
"id": "mp-20452",
"created_at": "2022-09-04T14:47:57.786389Z",
"structure_string": "Ba2 Mg4 Pb4\n1.0\n5.030288 0.000000 0.000000\n0.000000 5.030288 0.000000\n0.000000 0.000000 12.437903\nBa Mg Pb\n2 4 4\ndirect\n0.000000 0.500000 0.747217 Ba\n0.500000 0.000000 0.252783 Ba\n0.500000 0.000000 0.635744 Mg\n0.000000 0.500000 0.364256 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.865329 Pb\n0.000000 0.500000 0.134671 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Pb"
],
"chemical_system": "Ba-Mg-Pb",
"density": 6.334922952452647,
"density_atomic": 0.0317736519126827,
"volume": 314.72617713195325,
"volume_molar": 18.953253395453157,
"formula_full": "Ba2 Mg4 Pb4",
"formula_reduced": "Ba(MgPb)2",
"formula_anonymous": "AB2C2",
"energy": -28.84687651,
"energy_per_atom": -2.884687651,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.84687651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.34e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.223000Z",
"spacegroup": 129
},
{
"id": "mp-1369593",
"created_at": "2022-09-04T14:47:57.789877Z",
"structure_string": "Zn2 Sn9 O13\n1.0\n3.188600 0.000000 0.000000\n-1.572916 7.738639 0.000000\n-1.504105 -3.439163 15.587800\nZn Sn O\n2 9 13\ndirect\n0.082703 0.437748 0.744832 Zn\n0.917297 0.562252 0.255168 Zn\n0.000000 0.500000 0.500000 Sn\n0.566468 0.223094 0.904856 Sn\n0.433532 0.776906 0.095144 Sn\n0.371263 0.148093 0.600947 Sn\n0.628737 0.851907 0.399053 Sn\n0.850572 0.799245 0.896006 Sn\n0.149428 0.200755 0.103994 Sn\n0.751461 0.824974 0.689645 Sn\n0.248539 0.175026 0.310355 Sn\n0.000000 0.000000 0.000000 O\n0.705531 0.629312 0.772210 O\n0.294469 0.370688 0.227790 O\n0.313122 0.676939 0.944889 O\n0.686878 0.323061 0.055111 O\n0.399121 0.939588 0.848447 O\n0.600879 0.060412 0.151553 O\n0.490103 0.272082 0.730528 O\n0.509897 0.727918 0.269472 O\n0.955224 0.331011 0.587056 O\n0.044776 0.668989 0.412944 O\n0.599800 0.636586 0.568894 O\n0.400200 0.363414 0.431106 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.075129377864943,
"density_atomic": 0.062396723811762415,
"volume": 384.6355791435921,
"volume_molar": 9.651373328778465,
"formula_full": "Zn2 Sn9 O13",
"formula_reduced": "Zn2Sn9O13",
"formula_anonymous": "A2B9C13",
"energy": -141.8309953,
"energy_per_atom": -5.9096248041666675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.8999953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.420000Z",
"spacegroup": 2
},
{
"id": "mp-1247285",
"created_at": "2022-09-04T14:47:57.793775Z",
"structure_string": "Zn16 Ge4 N16\n1.0\n5.300694 0.000000 0.000000\n0.000000 11.089112 0.000000\n0.000000 0.000000 8.046289\nZn Ge N\n16 4 16\ndirect\n0.212428 0.365425 0.626892 Zn\n0.287572 0.634575 0.626892 Zn\n0.212428 0.134575 0.873108 Zn\n0.287572 0.865425 0.873108 Zn\n0.787572 0.634575 0.373108 Zn\n0.712428 0.365425 0.373108 Zn\n0.787572 0.865425 0.126892 Zn\n0.712428 0.134575 0.126892 Zn\n0.750000 0.500000 0.053487 Zn\n0.750000 0.000000 0.446513 Zn\n0.250000 0.500000 0.946513 Zn\n0.250000 0.000000 0.553487 Zn\n0.757425 0.250000 0.750000 Zn\n0.742575 0.750000 0.750000 Zn\n0.242575 0.750000 0.250000 Zn\n0.257425 0.250000 0.250000 Zn\n0.750000 0.500000 0.705796 Ge\n0.750000 0.000000 0.794204 Ge\n0.250000 0.500000 0.294204 Ge\n0.250000 0.000000 0.205796 Ge\n0.580420 0.370866 0.603793 N\n0.919580 0.629134 0.603793 N\n0.580420 0.129134 0.896207 N\n0.919580 0.870866 0.896207 N\n0.419580 0.629134 0.396207 N\n0.080420 0.370866 0.396207 N\n0.419580 0.870866 0.103793 N\n0.080420 0.129134 0.103793 N\n0.982445 0.094910 0.668149 N\n0.517555 0.905090 0.668149 N\n0.982445 0.405090 0.831851 N\n0.517555 0.594910 0.831851 N\n0.017555 0.905090 0.331851 N\n0.482445 0.094910 0.331851 N\n0.017555 0.594910 0.168149 N\n0.482445 0.405090 0.168149 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"N"
],
"chemical_system": "Ge-N-Zn",
"density": 5.481325904472002,
"density_atomic": 0.07611624754835175,
"volume": 472.9607824811847,
"volume_molar": 7.911767794615101,
"formula_full": "Zn16 Ge4 N16",
"formula_reduced": "Zn4GeN4",
"formula_anonymous": "AB4C4",
"energy": -173.31040649,
"energy_per_atom": -4.814177958055556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.53440649000004,
"band_gap": 0.1545999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.373000Z",
"spacegroup": 52
},
{
"id": "mp-999355",
"created_at": "2022-09-04T14:47:57.804972Z",
"structure_string": "Nb2 N2\n1.0\n1.600289 -2.771781 0.000000\n1.600289 2.771781 0.000000\n0.000000 0.000000 6.065704\nNb N\n2 2\ndirect\n0.333333 0.666667 0.486399 Nb\n0.666667 0.333333 0.986399 Nb\n0.333333 0.666667 0.157601 N\n0.666667 0.333333 0.657601 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 6.598441819071261,
"density_atomic": 0.07433467531727597,
"volume": 53.81068771642792,
"volume_molar": 8.101388395518297,
"formula_full": "Nb2 N2",
"formula_reduced": "NbN",
"formula_anonymous": "AB",
"energy": -40.33583315,
"energy_per_atom": -10.0839582875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.61383315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.406000Z",
"spacegroup": 186
}
]
}