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=26",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=24",
"results": [
{
"id": "mp-594",
"created_at": "2022-09-04T14:43:09.379459Z",
"structure_string": "Ni2 S2\n1.0\n1.719335 -2.977976 0.000000\n1.719335 2.977976 0.000000\n0.000000 0.000000 5.181588\nNi S\n2 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.750000 S\n0.333333 0.666667 0.250000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 5.680562634107112,
"density_atomic": 0.07538508345323708,
"volume": 53.06089503079588,
"volume_molar": 7.988504468175934,
"formula_full": "Ni2 S2",
"formula_reduced": "NiS",
"formula_anonymous": "AB",
"energy": -21.91534375,
"energy_per_atom": -5.4788359375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.90934375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.021000Z",
"spacegroup": 194
},
{
"id": "mp-1110971",
"created_at": "2022-09-04T14:43:09.460031Z",
"structure_string": "Cs2 Li1 Sb1 F6\n1.0\n0.000000 4.504811 4.504811\n4.504811 0.000000 4.504811\n4.504811 4.504811 0.000000\nCs Li Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.751709 0.248291 0.248291 F\n0.248291 0.248291 0.751709 F\n0.248291 0.751709 0.751709 F\n0.248291 0.751709 0.248291 F\n0.751709 0.248291 0.751709 F\n0.751709 0.751709 0.248291 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Sb",
"F"
],
"chemical_system": "Cs-F-Li-Sb",
"density": 4.618301890867252,
"density_atomic": 0.05469407475762506,
"volume": 182.83516165717512,
"volume_molar": 11.010590793768635,
"formula_full": "Cs2 Li1 Sb1 F6",
"formula_reduced": "Cs2LiSbF6",
"formula_anonymous": "ABC2D6",
"energy": -48.09962711,
"energy_per_atom": -4.809962711,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.32762711,
"band_gap": 4.1258,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.453000Z",
"spacegroup": 225
},
{
"id": "mp-1193087",
"created_at": "2022-09-04T14:43:08.904881Z",
"structure_string": "Zr22 Os8\n1.0\n0.000000 6.765645 6.765645\n6.765645 0.000000 6.765645\n6.765645 6.765645 0.000000\nZr Os\n22 8\ndirect\n0.798817 0.798817 0.201183 Zr\n0.201183 0.798817 0.201183 Zr\n0.798817 0.201183 0.201183 Zr\n0.201183 0.201183 0.798817 Zr\n0.798817 0.201183 0.798817 Zr\n0.201183 0.798817 0.798817 Zr\n0.617015 0.617015 0.148954 Zr\n0.617015 0.148954 0.617015 Zr\n0.148954 0.617015 0.617015 Zr\n0.617015 0.617015 0.617015 Zr\n0.382985 0.382985 0.851046 Zr\n0.382985 0.851046 0.382985 Zr\n0.851046 0.382985 0.382985 Zr\n0.382985 0.382985 0.382985 Zr\n0.837413 0.837413 0.487760 Zr\n0.837413 0.487760 0.837413 Zr\n0.487760 0.837413 0.837413 Zr\n0.837413 0.837413 0.837413 Zr\n0.162587 0.162587 0.512240 Zr\n0.162587 0.512240 0.162587 Zr\n0.512240 0.162587 0.162587 Zr\n0.162587 0.162587 0.162587 Zr\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Zr",
"Os"
],
"chemical_system": "Os-Zr",
"density": 9.460510883873647,
"density_atomic": 0.04843548362251721,
"volume": 619.3806225577414,
"volume_molar": 12.433324310197166,
"formula_full": "Zr22 Os8",
"formula_reduced": "Zr11Os4",
"formula_anonymous": "A4B11",
"energy": -286.65447237,
"energy_per_atom": -9.555149079,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.65447237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0085141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.711000Z",
"spacegroup": 225
},
{
"id": "mp-778490",
"created_at": "2022-09-04T14:43:08.909439Z",
"structure_string": "Li6 Co4 Si4 O16\n1.0\n5.094940 0.000000 0.000000\n0.000000 6.611844 0.000000\n0.000000 0.225560 10.599892\nLi Co Si O\n6 4 4 16\ndirect\n0.567387 0.008303 0.413237 Li\n0.432613 0.008303 0.913237 Li\n0.562332 0.776425 0.171809 Li\n0.437668 0.776425 0.671809 Li\n0.066943 0.005013 0.085434 Li\n0.933057 0.005013 0.585434 Li\n0.551851 0.490556 0.401296 Co\n0.056148 0.501526 0.100304 Co\n0.448149 0.490556 0.901296 Co\n0.943852 0.501526 0.600304 Co\n0.572212 0.241763 0.159110 Si\n0.427788 0.241763 0.659110 Si\n0.058766 0.757568 0.343578 Si\n0.941234 0.757568 0.843578 Si\n0.461215 0.036346 0.098752 O\n0.538785 0.036346 0.598752 O\n0.895614 0.260636 0.136011 O\n0.500245 0.255380 0.308610 O\n0.104386 0.260636 0.636011 O\n0.499755 0.255380 0.808610 O\n0.448015 0.456376 0.088635 O\n0.551985 0.456376 0.588635 O\n0.933723 0.550874 0.417660 O\n0.066277 0.550874 0.917660 O\n0.964365 0.737466 0.190588 O\n0.384948 0.737593 0.343388 O\n0.035635 0.737466 0.690588 O\n0.615052 0.737593 0.843388 O\n0.947125 0.953933 0.408606 O\n0.052875 0.953933 0.908606 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.002785367154043,
"density_atomic": 0.08401525350383011,
"volume": 357.07801558478127,
"volume_molar": 7.167913573843423,
"formula_full": "Li6 Co4 Si4 O16",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -211.35532465,
"energy_per_atom": -7.045177488333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.81132465,
"band_gap": 0.1466999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.984000Z",
"spacegroup": 7
},
{
"id": "mp-532110",
"created_at": "2022-09-04T14:43:08.913853Z",
"structure_string": "Ti10 Fe14 O36\n1.0\n5.594008 0.000000 0.000000\n0.883854 9.145310 0.000000\n0.635038 0.390432 12.745856\nTi Fe O\n10 14 36\ndirect\n0.706115 0.241723 0.115747 Ti\n0.289073 0.762512 0.384500 Ti\n0.702472 0.568514 0.291571 Ti\n0.793053 0.932481 0.715134 Ti\n0.220216 0.067336 0.281727 Ti\n0.209275 0.734763 0.618887 Ti\n0.295656 0.427972 0.715115 Ti\n0.707039 0.235580 0.615134 Ti\n0.202921 0.410442 0.948192 Ti\n0.702182 0.899686 0.950827 Ti\n0.286566 0.094258 0.049612 Fe\n0.795136 0.600177 0.047593 Fe\n0.213357 0.736071 0.117719 Fe\n0.290146 0.429781 0.214508 Fe\n0.712560 0.909202 0.452352 Fe\n0.791440 0.595023 0.551525 Fe\n0.799784 0.925412 0.213721 Fe\n0.795407 0.266492 0.381596 Fe\n0.209686 0.070410 0.787164 Fe\n0.206304 0.402297 0.450273 Fe\n0.287269 0.096672 0.548608 Fe\n0.712720 0.572955 0.784972 Fe\n0.785406 0.260218 0.882566 Fe\n0.290084 0.764814 0.881590 Fe\n0.670040 0.440542 0.144066 O\n0.987300 0.227645 0.029027 O\n0.978452 0.444773 0.316758 O\n0.156407 0.513624 0.075587 O\n0.155195 0.628821 0.475397 O\n0.143268 0.956155 0.152414 O\n0.357389 0.201420 0.188354 O\n0.352544 0.659271 0.259464 O\n0.513968 0.403455 0.346590 O\n0.514347 0.732739 0.012006 O\n0.497448 0.942187 0.310476 O\n0.650308 0.684457 0.410236 O\n0.658065 0.010785 0.080206 O\n0.649264 0.126633 0.480242 O\n0.827692 0.710241 0.191547 O\n0.851083 0.818901 0.593206 O\n0.838431 0.156446 0.243380 O\n0.021183 0.896494 0.345812 O\n0.983125 0.107506 0.651293 O\n0.156042 0.844378 0.740818 O\n0.147023 0.175390 0.401959 O\n0.164356 0.295400 0.814408 O\n0.340186 0.869310 0.519270 O\n0.354574 0.988303 0.922618 O\n0.346089 0.319938 0.591975 O\n0.523933 0.058419 0.682950 O\n0.476936 0.606519 0.651489 O\n0.472487 0.271165 0.992620 O\n0.649755 0.347475 0.738837 O\n0.666138 0.795327 0.809874 O\n0.839124 0.039570 0.856379 O\n0.842901 0.371913 0.524040 O\n0.860154 0.478886 0.921577 O\n0.027642 0.559960 0.681981 O\n0.976433 0.774879 0.985402 O\n0.346851 0.536282 0.857113 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.67675263949571,
"density_atomic": 0.09201544446526874,
"volume": 652.0644479704384,
"volume_molar": 6.544706483782795,
"formula_full": "Ti10 Fe14 O36",
"formula_reduced": "Ti5Fe7O18",
"formula_anonymous": "A5B7C18",
"energy": -506.5152749600001,
"energy_per_atom": -8.441921249333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -450.19927496,
"band_gap": 1.4127,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.8983872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.041000Z",
"spacegroup": 1
},
{
"id": "mp-1211032",
"created_at": "2022-09-04T14:43:08.937704Z",
"structure_string": "Mg1 U2 Si2 H4 O12\n1.0\n1.173336 0.000000 -6.529620\n0.000000 -6.815532 0.000000\n-8.245733 3.407766 3.723903\nMg U Si H O\n1 2 2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.371994 0.761019 0.522038 U\n0.628006 0.238981 0.477962 U\n0.917359 0.811403 0.622806 Si\n0.082641 0.188597 0.377194 Si\n0.608867 0.514290 0.799467 H\n0.391133 0.485710 0.200533 H\n0.391133 0.714823 0.200533 H\n0.608867 0.285177 0.799467 H\n0.606519 0.889147 0.778293 O\n0.393481 0.110853 0.221707 O\n0.951512 0.243092 0.486185 O\n0.048488 0.756908 0.513815 O\n0.713457 0.587626 0.544423 O\n0.286543 0.412374 0.455577 O\n0.286543 0.043202 0.455577 O\n0.713457 0.956798 0.544423 O\n0.694328 0.397191 0.794382 O\n0.305672 0.602809 0.205618 O\n0.093737 0.917409 0.834817 O\n0.906263 0.082591 0.165183 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Mg",
"U",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si-U",
"density": 3.7062018345196344,
"density_atomic": 0.06228150059844807,
"volume": 337.178773764537,
"volume_molar": 9.669228747115415,
"formula_full": "Mg1 U2 Si2 H4 O12",
"formula_reduced": "MgU2Si2(HO3)4",
"formula_anonymous": "AB2C2D4E12",
"energy": -163.47930453,
"energy_per_atom": -7.784728787142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.23530453,
"band_gap": 0.3374000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.159000Z",
"spacegroup": 12
},
{
"id": "mp-1193227",
"created_at": "2022-09-04T14:43:08.956862Z",
"structure_string": "Co28\n1.0\n8.367035 0.000000 0.000000\n0.000000 8.367035 0.000000\n0.000000 0.000000 4.555476\nCo\n28\ndirect\n0.905962 0.094038 0.500000 Co\n0.094038 0.905962 0.500000 Co\n0.405962 0.405962 0.000000 Co\n0.594038 0.594038 0.000000 Co\n0.973270 0.361966 0.500000 Co\n0.026730 0.638034 0.500000 Co\n0.473270 0.138034 0.000000 Co\n0.526730 0.861966 0.000000 Co\n0.361966 0.973270 0.500000 Co\n0.638034 0.026730 0.500000 Co\n0.138034 0.473270 0.000000 Co\n0.861966 0.526730 0.000000 Co\n0.251739 0.444409 0.500000 Co\n0.748261 0.555591 0.500000 Co\n0.751739 0.055591 0.000000 Co\n0.248261 0.944409 0.000000 Co\n0.444409 0.251739 0.500000 Co\n0.555591 0.748261 0.500000 Co\n0.055591 0.751739 0.000000 Co\n0.944409 0.248261 0.000000 Co\n0.686348 0.313652 0.249566 Co\n0.313652 0.686348 0.249566 Co\n0.186348 0.186348 0.749566 Co\n0.813652 0.813652 0.749566 Co\n0.313652 0.686348 0.750434 Co\n0.686348 0.313652 0.750434 Co\n0.813652 0.813652 0.250434 Co\n0.186348 0.186348 0.250434 Co\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.591919137745206,
"density_atomic": 0.0877972871891984,
"volume": 318.91645968128284,
"volume_molar": 6.859142181719821,
"formula_full": "Co28",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -195.49535593,
"energy_per_atom": -6.9819769974999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.49535593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.495207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.629000Z",
"spacegroup": 136
},
{
"id": "mp-505267",
"created_at": "2022-09-04T14:43:08.980612Z",
"structure_string": "Np4 Si8 Tc6\n1.0\n8.050952 0.000000 0.000000\n0.000000 5.662255 0.000000\n0.000000 1.655843 6.558135\nNp Si Tc\n4 8 6\ndirect\n0.943618 0.573398 0.254597 Np\n0.443618 0.926602 0.745403 Np\n0.056382 0.426602 0.745403 Np\n0.556382 0.073398 0.254597 Np\n0.596198 0.616012 0.127369 Si\n0.096198 0.883988 0.872631 Si\n0.403802 0.383988 0.872631 Si\n0.903802 0.116012 0.127369 Si\n0.751260 0.724400 0.578611 Si\n0.251260 0.775600 0.421389 Si\n0.248740 0.275600 0.421389 Si\n0.748740 0.224400 0.578611 Si\n0.292950 0.616000 0.111603 Tc\n0.792950 0.884000 0.888397 Tc\n0.707050 0.384000 0.888397 Tc\n0.207050 0.116000 0.111603 Tc\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.500000 Tc\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Np",
"Si",
"Tc"
],
"chemical_system": "Np-Si-Tc",
"density": 9.779429075812676,
"density_atomic": 0.06020817889024897,
"volume": 298.96270459884636,
"volume_molar": 10.002197161580845,
"formula_full": "Np4 Si8 Tc6",
"formula_reduced": "Np2Si4Tc3",
"formula_anonymous": "A2B3C4",
"energy": -165.90380421,
"energy_per_atom": -9.216878011666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.90380421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8142611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.976000Z",
"spacegroup": 14
},
{
"id": "mp-1029145",
"created_at": "2022-09-04T14:43:09.016179Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.701033 -2.946276 0.000000\n1.701033 2.946276 0.000000\n0.000000 0.000000 40.097652\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.327761 Te\n0.333333 0.666667 0.423903 Te\n0.333333 0.666667 0.517745 Te\n0.000000 0.000000 0.233883 Te\n0.000000 0.000000 0.093685 Mo\n0.000000 0.000000 0.470814 W\n0.333333 0.666667 0.280864 W\n0.333333 0.666667 0.657581 W\n0.333333 0.666667 0.052600 Se\n0.333333 0.666667 0.134698 Se\n0.000000 0.000000 0.695137 S\n0.000000 0.000000 0.620077 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.701180017758476,
"density_atomic": 0.029856998131970094,
"volume": 401.9158237864078,
"volume_molar": 20.169947204275868,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -85.43308146000001,
"energy_per_atom": -7.119423455000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.79508146,
"band_gap": 1.1908,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.604000Z",
"spacegroup": 156
},
{
"id": "mp-765970",
"created_at": "2022-09-04T14:43:08.918485Z",
"structure_string": "Ti3 Sn7 O20\n1.0\n3.375035 -3.377475 0.000000\n3.375035 3.377475 0.000000\n0.000000 0.000000 15.866413\nTi Sn O\n3 7 20\ndirect\n0.000000 0.000000 0.799928 Ti\n0.000000 0.000000 0.200072 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.400380 Sn\n0.000000 0.000000 0.599620 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.897696 Sn\n0.500000 0.500000 0.699886 Sn\n0.500000 0.500000 0.300114 Sn\n0.500000 0.500000 0.102304 Sn\n0.189822 0.810178 0.895374 O\n0.202953 0.797047 0.500000 O\n0.190008 0.809992 0.704003 O\n0.189822 0.810178 0.104626 O\n0.190008 0.809992 0.295997 O\n0.310039 0.310039 0.404221 O\n0.310039 0.310039 0.595779 O\n0.296875 0.296875 0.200695 O\n0.296875 0.296875 0.799305 O\n0.306137 0.306137 0.000000 O\n0.689961 0.689961 0.404221 O\n0.689961 0.689961 0.595779 O\n0.703125 0.703125 0.799305 O\n0.693863 0.693863 0.000000 O\n0.703125 0.703125 0.200695 O\n0.797047 0.202953 0.500000 O\n0.810178 0.189822 0.895374 O\n0.809992 0.190008 0.704003 O\n0.809992 0.190008 0.295997 O\n0.810178 0.189822 0.104626 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 5.942808986916471,
"density_atomic": 0.0829358080428278,
"volume": 361.72554060735854,
"volume_molar": 7.261207073415363,
"formula_full": "Ti3 Sn7 O20",
"formula_reduced": "Ti3Sn7O20",
"formula_anonymous": "A3B7C20",
"energy": -225.37284624,
"energy_per_atom": -7.512428208,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.63284624,
"band_gap": 1.7439,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0089574,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.866000Z",
"spacegroup": 65
},
{
"id": "mp-1023929",
"created_at": "2022-09-04T14:43:08.923500Z",
"structure_string": "W2 Se2 S2\n1.0\n1.627359 -2.818669 0.000000\n1.627359 2.818669 0.000000\n0.000000 0.000000 23.022902\nW Se S\n2 2 2\ndirect\n0.000000 0.000000 0.150434 W\n0.333333 0.666667 0.451445 W\n0.000000 0.000000 0.525583 Se\n0.000000 0.000000 0.377289 Se\n0.333333 0.666667 0.083135 S\n0.333333 0.666667 0.217718 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 4.636441761431047,
"density_atomic": 0.02840754744292721,
"volume": 211.21147512133626,
"volume_molar": 21.199087221798752,
"formula_full": "W2 Se2 S2",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy": -47.171382730000005,
"energy_per_atom": -7.861897121666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.22138273,
"band_gap": 0.8086000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.221000Z",
"spacegroup": 156
},
{
"id": "mp-20070",
"created_at": "2022-09-04T14:43:08.024799Z",
"structure_string": "Gd2 Ti2 Ge2\n1.0\n-2.038488 2.038488 7.853708\n2.038488 -2.038488 7.853708\n2.038488 2.038488 -7.853708\nGd Ti Ge\n2 2 2\ndirect\n0.675434 0.675434 0.000000 Gd\n0.324566 0.324566 0.000000 Gd\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.119594 0.119594 0.000000 Ge\n0.880406 0.880406 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"Ti",
"Ge"
],
"chemical_system": "Gd-Ge-Ti",
"density": 7.066315854994772,
"density_atomic": 0.04596213461562173,
"volume": 130.54223982801497,
"volume_molar": 13.102395722833073,
"formula_full": "Gd2 Ti2 Ge2",
"formula_reduced": "GdTiGe",
"formula_anonymous": "ABC",
"energy": -57.27651204,
"energy_per_atom": -9.54608534,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.27651204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.7497213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.221000Z",
"spacegroup": 139
}
]
}