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=formation_energy&page=10188",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10186",
"results": [
{
"id": "mp-1190972",
"created_at": "2022-09-04T14:47:40.736228Z",
"structure_string": "In4 Pd17 Se4\n1.0\n-7.290786 7.290786 2.018420\n7.290786 -7.290786 2.018420\n7.290786 7.290786 -2.018420\nIn Pd Se\n4 17 4\ndirect\n0.338390 0.384456 0.722845 In\n0.661610 0.615544 0.277155 In\n0.615544 0.338390 0.953934 In\n0.384456 0.661610 0.046066 In\n0.184625 0.251690 0.436315 Pd\n0.815375 0.748310 0.563685 Pd\n0.748310 0.184625 0.932935 Pd\n0.251690 0.815375 0.067065 Pd\n0.227691 0.545347 0.773039 Pd\n0.772309 0.454653 0.226961 Pd\n0.454653 0.227691 0.682344 Pd\n0.545347 0.772309 0.317656 Pd\n0.698128 0.908774 0.606902 Pd\n0.301872 0.091226 0.393098 Pd\n0.091226 0.698128 0.789354 Pd\n0.908774 0.301872 0.210646 Pd\n0.021176 0.136490 0.157666 Pd\n0.978824 0.863510 0.842334 Pd\n0.863510 0.021176 0.884686 Pd\n0.136490 0.978824 0.115314 Pd\n0.500000 0.500000 0.000000 Pd\n0.071246 0.377048 0.448295 Se\n0.928754 0.622952 0.551705 Se\n0.622952 0.071246 0.694198 Se\n0.377048 0.928754 0.305802 Se\n",
"nsites": 25,
"nelements": 3,
"elements": [
"In",
"Pd",
"Se"
],
"chemical_system": "In-Pd-Se",
"density": 9.999164758980353,
"density_atomic": 0.058253198296664414,
"volume": 429.16098567984557,
"volume_molar": 10.337871457857498,
"formula_full": "In4 Pd17 Se4",
"formula_reduced": "In4Pd17Se4",
"formula_anonymous": "A4B4C17",
"energy": -124.78259702,
"energy_per_atom": -4.9913038808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.89459702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.679000Z",
"spacegroup": 87
},
{
"id": "mp-1228484",
"created_at": "2022-09-04T14:47:40.769826Z",
"structure_string": "Ba2 La2 Ni1 W2 O12\n1.0\n-2.861794 -4.956393 -0.000041\n2.862304 -4.956687 0.000390\n0.000868 -3.304687 9.280194\nBa La Ni W O\n2 2 1 2 12\ndirect\n0.133797 0.133759 0.598587 Ba\n0.866216 0.866169 0.401406 Ba\n0.293134 0.293046 0.120735 La\n0.706923 0.706876 0.879277 La\n0.000051 0.000306 0.999882 Ni\n0.417206 0.417160 0.748344 W\n0.582743 0.582883 0.251676 W\n0.116793 0.616962 0.649156 O\n0.616994 0.616977 0.649143 O\n0.616974 0.116771 0.649165 O\n0.883161 0.382988 0.350885 O\n0.382994 0.382993 0.350874 O\n0.382995 0.883157 0.350872 O\n0.317966 0.784550 0.112956 O\n0.784558 0.784578 0.112949 O\n0.784544 0.317960 0.112951 O\n0.682018 0.215427 0.887048 O\n0.215478 0.215448 0.887040 O\n0.215457 0.681990 0.887055 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ni",
"W",
"O"
],
"chemical_system": "Ba-La-Ni-O-W",
"density": 7.384244690975433,
"density_atomic": 0.07216328889778088,
"volume": 263.29176912811516,
"volume_molar": 8.345158392836485,
"formula_full": "Ba2 La2 Ni1 W2 O12",
"formula_reduced": "Ba2La2Ni(WO6)2",
"formula_anonymous": "AB2C2D2E12",
"energy": -159.2090665,
"energy_per_atom": -8.37942455263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.5480665,
"band_gap": 3.3024,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.620000Z",
"spacegroup": 166
},
{
"id": "mp-619575",
"created_at": "2022-09-04T14:47:40.801130Z",
"structure_string": "Cl8 F24\n1.0\n4.467760 0.000000 0.000000\n0.000000 8.159600 0.000000\n0.000000 1.605807 14.759364\nCl F\n8 24\ndirect\n0.959365 0.205988 0.589886 Cl\n0.005362 0.608554 0.133408 Cl\n0.494638 0.608554 0.633408 Cl\n0.505362 0.391446 0.366592 Cl\n0.040635 0.794012 0.410114 Cl\n0.459365 0.794012 0.910114 Cl\n0.994638 0.391446 0.866592 Cl\n0.540635 0.205988 0.089886 Cl\n0.711672 0.430972 0.947045 F\n0.258195 0.339193 0.789274 F\n0.739759 0.883346 0.969778 F\n0.241805 0.339193 0.289274 F\n0.371113 0.797659 0.625895 F\n0.998559 0.941928 0.327724 F\n0.001441 0.058072 0.672276 F\n0.239759 0.116654 0.530222 F\n0.788328 0.430972 0.447045 F\n0.260241 0.116654 0.030222 F\n0.628887 0.202341 0.374105 F\n0.679349 0.290050 0.657149 F\n0.128887 0.797659 0.125895 F\n0.741805 0.660807 0.210726 F\n0.179349 0.709950 0.842851 F\n0.501441 0.941928 0.827724 F\n0.320651 0.709950 0.342851 F\n0.760241 0.883346 0.469778 F\n0.820651 0.290050 0.157149 F\n0.211672 0.569028 0.552955 F\n0.288328 0.569028 0.052955 F\n0.498559 0.058072 0.172276 F\n0.758195 0.660807 0.710726 F\n0.871113 0.202341 0.874105 F\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Cl",
"F"
],
"chemical_system": "Cl-F",
"density": 2.2825023893846548,
"density_atomic": 0.05947351814874255,
"volume": 538.0545996954205,
"volume_molar": 10.125751674785235,
"formula_full": "Cl8 F24",
"formula_reduced": "ClF3",
"formula_anonymous": "AB3",
"energy": -91.43642673,
"energy_per_atom": -2.8573883353125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.34842673,
"band_gap": 2.5175,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003411,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.337000Z",
"spacegroup": 14
},
{
"id": "mp-1177391",
"created_at": "2022-09-04T14:47:41.020708Z",
"structure_string": "Li4 Mn1 V3 O8\n1.0\n-2.809913 -2.970055 4.296109\n-6.024627 -0.038986 0.050020\n-2.953931 -3.074412 -4.147260\nLi Mn V O\n4 1 3 8\ndirect\n0.989580 0.510326 0.496873 Li\n0.489522 0.509842 0.496412 Li\n0.492389 0.006723 0.498406 Li\n0.991466 0.009077 0.497121 Li\n0.992889 0.006034 0.997095 Mn\n0.492879 0.005869 0.997223 V\n0.492944 0.505692 0.997829 V\n0.993340 0.505731 0.997890 V\n0.765568 0.984030 0.774746 O\n0.244895 0.989338 0.775972 O\n0.733188 0.520803 0.756996 O\n0.255439 0.479692 0.772438 O\n0.730957 0.531373 0.223268 O\n0.253071 0.490756 0.238468 O\n0.741661 0.021440 0.219328 O\n0.220881 0.026736 0.220638 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.9495063945946556,
"density_atomic": 0.10468472393138861,
"volume": 152.83987385290862,
"volume_molar": 5.75264521301787,
"formula_full": "Li4 Mn1 V3 O8",
"formula_reduced": "Li4MnV3O8",
"formula_anonymous": "AB3C4D8",
"energy": -121.7834523,
"energy_per_atom": -7.61146576875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.5194523,
"band_gap": 0.8956,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.469000Z",
"spacegroup": 12
},
{
"id": "mp-1517008",
"created_at": "2022-09-04T14:47:41.294007Z",
"structure_string": "Ca2 Zr1 Nb1 O6\n1.0\n-0.000000 -4.105692 -4.105692\n4.105692 0.000000 -4.105692\n4.105692 -4.105692 -0.000000\nCa Zr Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 0.000000 Nb\n0.754101 0.245899 0.245899 O\n0.245899 0.754101 0.754101 O\n0.754101 0.245899 0.754101 O\n0.245899 0.754101 0.245899 O\n0.754101 0.754101 0.245899 O\n0.245899 0.245899 0.754101 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Zr",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Zr",
"density": 4.32218655110637,
"density_atomic": 0.07224551728710568,
"volume": 138.4168925008831,
"volume_molar": 8.335660102021064,
"formula_full": "Ca2 Zr1 Nb1 O6",
"formula_reduced": "Ca2ZrNbO6",
"formula_anonymous": "ABC2D6",
"energy": -84.87876893,
"energy_per_atom": -8.487876893000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.75676893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.524000Z",
"spacegroup": 225
},
{
"id": "mp-30260",
"created_at": "2022-09-04T14:47:41.331016Z",
"structure_string": "Zr8 Ni21\n1.0\n6.451191 0.000000 0.000000\n2.047430 7.818344 0.000000\n3.205601 1.400225 7.820073\nZr Ni\n8 21\ndirect\n0.433023 0.962348 0.752532 Zr\n0.566977 0.037652 0.247468 Zr\n0.752634 0.440290 0.392704 Zr\n0.247366 0.559710 0.607296 Zr\n0.751660 0.563456 0.966185 Zr\n0.248340 0.436544 0.033815 Zr\n0.930620 0.095562 0.685525 Zr\n0.069380 0.904438 0.314475 Zr\n0.000000 0.000000 0.000000 Ni\n0.098015 0.759424 0.847514 Ni\n0.901985 0.240576 0.152486 Ni\n0.286679 0.885357 0.529778 Ni\n0.713321 0.114643 0.470222 Ni\n0.515281 0.617308 0.755673 Ni\n0.484719 0.382692 0.244327 Ni\n0.515280 0.292195 0.725724 Ni\n0.099236 0.279763 0.845840 Ni\n0.900764 0.720237 0.154160 Ni\n0.119134 0.555177 0.348546 Ni\n0.880866 0.444823 0.651454 Ni\n0.136246 0.212733 0.342414 Ni\n0.863754 0.787267 0.657586 Ni\n0.303391 0.245305 0.541422 Ni\n0.696609 0.754695 0.458578 Ni\n0.316429 0.098852 0.035756 Ni\n0.683571 0.901148 0.964244 Ni\n0.317571 0.743840 0.048037 Ni\n0.682429 0.256160 0.951963 Ni\n0.484720 0.707805 0.274276 Ni\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 8.261536712417495,
"density_atomic": 0.07352457374931005,
"volume": 394.4259520480679,
"volume_molar": 8.19065035389819,
"formula_full": "Zr8 Ni21",
"formula_reduced": "Zr8Ni21",
"formula_anonymous": "A8B21",
"energy": -202.355881,
"energy_per_atom": -6.9777890000000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.355881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022645,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.506000Z",
"spacegroup": 2
},
{
"id": "mp-880385",
"created_at": "2022-09-04T14:47:41.470801Z",
"structure_string": "Na4 Fe4 Se8 O24\n1.0\n5.458586 0.000000 0.000000\n0.000000 8.053480 0.000000\n0.000000 0.000000 12.762019\nNa Fe Se O\n4 4 8 24\ndirect\n0.250000 0.989559 0.386317 Na\n0.250000 0.510441 0.886317 Na\n0.750000 0.010441 0.613683 Na\n0.750000 0.489559 0.113683 Na\n0.250000 0.797933 0.101023 Fe\n0.250000 0.702067 0.601023 Fe\n0.750000 0.202067 0.898977 Fe\n0.750000 0.297933 0.398977 Fe\n0.250000 0.212735 0.067726 Se\n0.250000 0.287265 0.567726 Se\n0.750000 0.787265 0.932274 Se\n0.750000 0.712735 0.432274 Se\n0.250000 0.994762 0.793522 Se\n0.250000 0.505238 0.293522 Se\n0.750000 0.005238 0.206478 Se\n0.750000 0.494762 0.706478 Se\n0.007386 0.300164 0.999988 O\n0.492614 0.199836 0.499988 O\n0.507386 0.699836 0.000012 O\n0.992614 0.800164 0.500012 O\n0.992614 0.699836 0.000012 O\n0.507386 0.800164 0.500012 O\n0.492614 0.300164 0.999988 O\n0.007386 0.199836 0.499988 O\n0.250000 0.011539 0.022516 O\n0.250000 0.488461 0.522516 O\n0.750000 0.988461 0.977484 O\n0.750000 0.511539 0.477484 O\n0.001548 0.128644 0.788958 O\n0.498452 0.371356 0.288958 O\n0.501548 0.871356 0.211042 O\n0.998452 0.628644 0.711042 O\n0.998452 0.871356 0.211042 O\n0.501548 0.628644 0.711042 O\n0.498452 0.128644 0.788958 O\n0.001548 0.371356 0.288958 O\n0.250000 0.937550 0.662757 O\n0.250000 0.562450 0.162757 O\n0.750000 0.062450 0.337243 O\n0.750000 0.437550 0.837243 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Na",
"Fe",
"Se",
"O"
],
"chemical_system": "Fe-Na-O-Se",
"density": 3.939540328833898,
"density_atomic": 0.0712979204534956,
"volume": 561.0261806456218,
"volume_molar": 8.446446574732807,
"formula_full": "Na4 Fe4 Se8 O24",
"formula_reduced": "NaFe(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -247.79635578,
"energy_per_atom": -6.1949088945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.28435578,
"band_gap": 2.2783,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0057281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.012000Z",
"spacegroup": 62
},
{
"id": "mp-1097455",
"created_at": "2022-09-04T14:48:05.698912Z",
"structure_string": "Ti1 Mn2 Nb1\n1.0\n-4.747861 4.863122 7.293493\n4.747861 -4.863122 7.293493\n4.747861 4.863122 -7.293493\nTi Mn Nb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.257561 0.257561 Mn\n0.000000 0.742439 0.742439 Mn\n0.000000 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Nb"
],
"chemical_system": "Mn-Nb-Ti",
"density": 0.6178843076692356,
"density_atomic": 0.00593815143589201,
"volume": 673.6103050223294,
"volume_molar": 101.41440185577505,
"formula_full": "Ti1 Mn2 Nb1",
"formula_reduced": "TiMn2Nb",
"formula_anonymous": "ABC2",
"energy": -22.9565632,
"energy_per_atom": -5.7391408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.9565632,
"band_gap": 0.0867999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.033000Z",
"spacegroup": 71
},
{
"id": "mp-1224511",
"created_at": "2022-09-04T14:47:46.675112Z",
"structure_string": "K1 Mo8 O12\n1.0\n3.308876 0.000000 0.000000\n0.000000 10.248528 0.000000\n0.000000 0.048327 10.260004\nK Mo O\n1 8 12\ndirect\n0.098973 0.500000 0.500000 K\n0.504143 0.336218 0.866239 Mo\n0.504143 0.663782 0.133761 Mo\n0.503036 0.159233 0.361245 Mo\n0.503036 0.840767 0.638755 Mo\n0.001165 0.116575 0.627225 Mo\n0.001165 0.883425 0.372775 Mo\n0.000147 0.393722 0.135314 Mo\n0.000147 0.606278 0.864686 Mo\n0.501294 0.015602 0.711521 O\n0.501294 0.984398 0.288479 O\n0.500293 0.493332 0.228695 O\n0.500293 0.506668 0.771305 O\n0.500289 0.707423 0.947724 O\n0.500289 0.292577 0.052276 O\n0.501211 0.773993 0.456325 O\n0.501211 0.226007 0.543675 O\n0.002442 0.737070 0.699983 O\n0.002442 0.262930 0.300017 O\n0.002393 0.749895 0.213330 O\n0.002393 0.250105 0.786670 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"K",
"Mo",
"O"
],
"chemical_system": "K-Mo-O",
"density": 4.766021226171325,
"density_atomic": 0.060357296717458285,
"volume": 347.92810715669066,
"volume_molar": 9.977485884085498,
"formula_full": "K1 Mo8 O12",
"formula_reduced": "K(Mo2O3)4",
"formula_anonymous": "AB8C12",
"energy": -178.97430345,
"energy_per_atom": -8.522585878571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.11430345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0002473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.234000Z",
"spacegroup": 3
},
{
"id": "mp-1228209",
"created_at": "2022-09-04T14:47:46.680943Z",
"structure_string": "Al6 Tl6 Si6 O24\n1.0\n6.383167 -6.445831 0.000000\n6.383167 6.445831 0.000000\n-0.125942 0.000000 9.070705\nAl Tl Si O\n6 6 6 24\ndirect\n0.501557 0.748789 0.995846 Al\n0.995846 0.501557 0.748789 Al\n0.748789 0.995846 0.501557 Al\n0.001557 0.495846 0.248789 Al\n0.248789 0.001557 0.495846 Al\n0.495846 0.248789 0.001557 Al\n0.352232 0.649580 0.351843 Tl\n0.649580 0.351843 0.352232 Tl\n0.351843 0.352232 0.649580 Tl\n0.149580 0.852232 0.851843 Tl\n0.851843 0.149580 0.852232 Tl\n0.852232 0.851843 0.149580 Tl\n0.998597 0.748833 0.500447 Si\n0.500447 0.998597 0.748833 Si\n0.748833 0.500447 0.998597 Si\n0.498597 0.000447 0.248833 Si\n0.248833 0.498597 0.000447 Si\n0.000447 0.248833 0.498597 Si\n0.650664 0.639918 0.947811 O\n0.947811 0.650664 0.639918 O\n0.639918 0.947811 0.650664 O\n0.350607 0.640992 0.055818 O\n0.055929 0.649937 0.359230 O\n0.362712 0.940066 0.351362 O\n0.649937 0.359230 0.055929 O\n0.940066 0.351362 0.362712 O\n0.640992 0.055818 0.350607 O\n0.351362 0.362712 0.940066 O\n0.055818 0.350607 0.640992 O\n0.359230 0.055929 0.649937 O\n0.149937 0.555929 0.859230 O\n0.440066 0.862712 0.851362 O\n0.140992 0.850607 0.555818 O\n0.851362 0.440066 0.862712 O\n0.555818 0.140992 0.850607 O\n0.859230 0.149937 0.555929 O\n0.150664 0.447811 0.139918 O\n0.447811 0.139918 0.150664 O\n0.139918 0.150664 0.447811 O\n0.850607 0.555818 0.140992 O\n0.555929 0.859230 0.149937 O\n0.862712 0.851362 0.440066 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Al",
"Tl",
"Si",
"O"
],
"chemical_system": "Al-O-Si-Tl",
"density": 4.31736309943627,
"density_atomic": 0.05626821396002566,
"volume": 746.4249714739096,
"volume_molar": 10.702562488083021,
"formula_full": "Al6 Tl6 Si6 O24",
"formula_reduced": "AlTlSiO4",
"formula_anonymous": "ABCD4",
"energy": -309.83832862,
"energy_per_atom": -7.377103062380953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.35032862,
"band_gap": 4.081,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.004000Z",
"spacegroup": 161
},
{
"id": "mp-1186613",
"created_at": "2022-09-04T14:47:46.687871Z",
"structure_string": "Pm1 Lu1 Mg2\n1.0\n0.000000 3.796882 3.796882\n3.796882 0.000000 3.796882\n3.796882 3.796882 0.000000\nPm Lu Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Lu",
"Mg"
],
"chemical_system": "Lu-Mg-Pm",
"density": 5.5906979833820944,
"density_atomic": 0.036538330079424426,
"volume": 109.47407807924128,
"volume_molar": 16.48170769411054,
"formula_full": "Pm1 Lu1 Mg2",
"formula_reduced": "PmLuMg2",
"formula_anonymous": "ABC2",
"energy": -12.78614148,
"energy_per_atom": -3.19653537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.78614148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1082246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.829000Z",
"spacegroup": 225
},
{
"id": "mp-1100402",
"created_at": "2022-09-04T14:47:46.693604Z",
"structure_string": "Y1 Hg1 B1\n1.0\n0.000000 3.069285 3.069285\n3.069285 0.000000 3.069285\n3.069285 3.069285 0.000000\nY Hg B\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Hg",
"B"
],
"chemical_system": "B-Hg-Y",
"density": 8.623284002632541,
"density_atomic": 0.05187756798946361,
"volume": 57.828462595033436,
"volume_molar": 11.608371389389541,
"formula_full": "Y1 Hg1 B1",
"formula_reduced": "YHgB",
"formula_anonymous": "ABC",
"energy": -13.60518999,
"energy_per_atom": -4.53506333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.60518999,
"band_gap": 0.3563,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.342000Z",
"spacegroup": 216
}
]
}