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_gap_direct&page=1764",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=1762",
"results": [
{
"id": "mp-1255391",
"created_at": "2022-09-04T14:46:03.641991Z",
"structure_string": "Zn2 Fe2 Si2 O10\n1.0\n3.687395 0.015667 -4.041649\n3.397253 -6.262794 0.005635\n0.039780 0.020806 -8.134362\nZn Fe Si O\n2 2 2 10\ndirect\n0.455015 0.230756 0.703778 Zn\n0.549436 0.729953 0.284107 Zn\n0.499031 0.485955 0.994878 Fe\n0.499332 0.986067 0.996530 Fe\n0.525379 0.231071 0.334187 Si\n0.471237 0.741728 0.658280 Si\n0.515648 0.039929 0.230848 O\n0.579374 0.406233 0.193019 O\n0.483716 0.932570 0.759941 O\n0.412431 0.569049 0.802404 O\n0.872646 0.628226 0.330431 O\n0.119275 0.832498 0.684438 O\n0.125046 0.342327 0.662287 O\n0.879341 0.139472 0.306544 O\n0.493444 0.736489 0.076155 O\n0.506380 0.234801 0.914184 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-O-Si-Zn",
"density": 4.073183389735081,
"density_atomic": 0.08556608729183673,
"volume": 186.98996888135667,
"volume_molar": 7.037999458197184,
"formula_full": "Zn2 Fe2 Si2 O10",
"formula_reduced": "ZnFeSiO5",
"formula_anonymous": "ABCD5",
"energy": -113.2681164,
"energy_per_atom": -7.079257275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.8861164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9989329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.424000Z",
"spacegroup": 2
},
{
"id": "mp-983327",
"created_at": "2022-09-04T14:46:03.661333Z",
"structure_string": "K2 H8 O4 F2\n1.0\n4.126518 0.000000 0.000000\n0.000000 5.193575 0.000000\n0.000000 0.000000 8.855968\nK H O F\n2 8 4 2\ndirect\n0.500000 0.608278 0.499957 K\n0.500000 0.391722 0.999957 K\n0.310135 0.900815 0.180067 H\n0.689865 0.900815 0.180067 H\n0.000000 0.225926 0.291846 H\n0.000000 0.139256 0.462733 H\n0.310135 0.099185 0.680067 H\n0.689865 0.099185 0.680067 H\n0.000000 0.774074 0.791846 H\n0.000000 0.860744 0.962733 H\n0.500000 0.797143 0.211476 O\n0.000000 0.292097 0.396304 O\n0.500000 0.202857 0.711476 O\n0.000000 0.707903 0.896304 O\n0.000000 0.092416 0.110950 F\n0.000000 0.907584 0.610950 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-O",
"density": 1.6470558829225002,
"density_atomic": 0.08430120696400403,
"volume": 189.79562186852053,
"volume_molar": 7.14359969077478,
"formula_full": "K2 H8 O4 F2",
"formula_reduced": "KH4O2F",
"formula_anonymous": "ABC2D4",
"energy": -80.05356504,
"energy_per_atom": -5.003347815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.38156504,
"band_gap": 5.1966,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002715,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.439000Z",
"spacegroup": 26
},
{
"id": "mp-1101349",
"created_at": "2022-09-04T14:46:03.686288Z",
"structure_string": "Ti2 Mn4 O12\n1.0\n5.102838 0.003978 0.000004\n-2.560922 4.413690 -0.000004\n0.000007 -0.000005 9.700142\nTi Mn O\n2 4 12\ndirect\n0.000000 0.999997 0.000003 Ti\n0.499999 0.500002 0.500001 Ti\n0.166732 0.833267 0.500001 Mn\n0.333268 0.666731 0.999996 Mn\n0.666733 0.333265 0.000000 Mn\n0.833267 0.166736 0.500001 Mn\n0.999970 0.660892 0.099312 O\n0.000032 0.339103 0.900685 O\n0.160893 0.499968 0.400685 O\n0.500032 0.839110 0.599316 O\n0.160477 0.160480 0.599705 O\n0.339522 0.339523 0.099702 O\n0.660479 0.660474 0.900295 O\n0.339109 0.000035 0.900686 O\n0.839522 0.839525 0.400297 O\n0.499967 0.160895 0.400685 O\n0.839107 0.500036 0.599317 O\n0.660891 0.999962 0.099312 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 3.8554853709950714,
"density_atomic": 0.08235394517916463,
"volume": 218.56876389880543,
"volume_molar": 7.31251034409896,
"formula_full": "Ti2 Mn4 O12",
"formula_reduced": "TiMn2O6",
"formula_anonymous": "AB2C6",
"energy": -152.83647053,
"energy_per_atom": -8.490915029444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.92047053,
"band_gap": 2.0722,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0003408,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.301000Z",
"spacegroup": 64
},
{
"id": "mp-1102033",
"created_at": "2022-09-04T14:46:03.690160Z",
"structure_string": "Er4 As4 Se4\n1.0\n3.886393 0.000000 0.000000\n0.000000 3.899986 0.000000\n0.000000 0.000000 17.466217\nEr As Se\n4 4 4\ndirect\n0.750000 0.240693 0.860967 Er\n0.750000 0.259307 0.360967 Er\n0.250000 0.759307 0.139033 Er\n0.250000 0.740693 0.639033 Er\n0.250000 0.223467 0.500825 As\n0.250000 0.276533 0.000825 As\n0.750000 0.776533 0.499175 As\n0.750000 0.723467 0.999175 As\n0.750000 0.242073 0.687824 Se\n0.750000 0.257927 0.187824 Se\n0.250000 0.757927 0.312176 Se\n0.250000 0.742073 0.812176 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"As",
"Se"
],
"chemical_system": "As-Er-Se",
"density": 8.057414179173916,
"density_atomic": 0.045328633967838684,
"volume": 264.73332526442715,
"volume_molar": 13.285511238377037,
"formula_full": "Er4 As4 Se4",
"formula_reduced": "ErAsSe",
"formula_anonymous": "ABC",
"energy": -69.67663413000001,
"energy_per_atom": -5.806386177500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.78863413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011153,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.150000Z",
"spacegroup": 62
},
{
"id": "mp-626337",
"created_at": "2022-09-04T14:46:03.703517Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.139812 0.000000 0.000000\n0.073641 6.506817 0.000000\n0.377863 0.192562 11.479382\nSr H O\n2 32 20\ndirect\n0.968016 0.993797 0.498604 Sr\n0.005262 0.017854 0.997484 Sr\n0.055798 0.692060 0.710772 H\n0.244123 0.630690 0.611206 H\n0.913861 0.378452 0.657721 H\n0.676339 0.376598 0.605165 H\n0.697083 0.813335 0.710424 H\n0.576585 0.719417 0.604888 H\n0.386211 0.066917 0.638711 H\n0.348929 0.301685 0.596787 H\n0.965151 0.683368 0.207931 H\n0.750188 0.643059 0.127209 H\n0.083078 0.388172 0.170388 H\n0.299400 0.397067 0.091471 H\n0.400529 0.744554 0.111388 H\n0.286510 0.867037 0.215871 H\n0.565814 0.073920 0.143582 H\n0.632255 0.305482 0.112031 H\n0.789369 0.250739 0.285046 H\n0.696767 0.382681 0.392155 H\n0.261479 0.588341 0.381735 H\n0.018738 0.519461 0.364417 H\n0.353647 0.225488 0.370009 H\n0.447789 0.999041 0.371773 H\n0.718273 0.831490 0.289458 H\n0.600906 0.707674 0.397884 H\n0.184613 0.246715 0.766452 H\n0.070352 0.421443 0.846004 H\n0.753850 0.583321 0.926751 H\n0.093958 0.711914 0.868420 H\n0.712245 0.171971 0.779328 H\n0.609442 0.269340 0.891815 H\n0.438227 0.728358 0.902558 H\n0.453957 0.963303 0.866621 H\n0.478526 0.504067 0.561241 O\n0.553073 0.524968 0.072102 O\n0.492092 0.507746 0.431249 O\n0.596738 0.525307 0.944278 O\n0.098638 0.697649 0.625572 O\n0.799519 0.283757 0.637480 O\n0.636775 0.852944 0.635491 O\n0.271178 0.171872 0.627971 O\n0.858798 0.747358 0.155839 O\n0.161330 0.319627 0.107329 O\n0.333162 0.879854 0.133982 O\n0.693308 0.166445 0.138988 O\n0.833993 0.304625 0.360795 O\n0.116333 0.639526 0.350888 O\n0.307991 0.081401 0.367722 O\n0.666137 0.849794 0.371366 O\n0.140349 0.282241 0.847853 O\n0.943705 0.675557 0.851920 O\n0.661332 0.134991 0.860154 O\n0.346596 0.851014 0.883473 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.9099176113920788,
"density_atomic": 0.11774747035731829,
"volume": 458.60857847842306,
"volume_molar": 5.114454469149204,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy": -284.29288502,
"energy_per_atom": -5.264683055925927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.55288502,
"band_gap": 3.5641,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.286000Z",
"spacegroup": 1
},
{
"id": "mp-571394",
"created_at": "2022-09-04T14:46:03.721130Z",
"structure_string": "K4 C8 N12\n1.0\n6.632635 0.000000 0.000000\n0.000000 7.431655 0.000000\n0.000000 0.000000 8.443814\nK C N\n4 8 12\ndirect\n0.750000 0.500000 0.317884 K\n0.750000 0.000000 0.317884 K\n0.250000 0.500000 0.682116 K\n0.250000 0.000000 0.682116 K\n0.143278 0.250000 0.063222 C\n0.764640 0.250000 0.680614 C\n0.356722 0.750000 0.063222 C\n0.235360 0.750000 0.319386 C\n0.264640 0.250000 0.319386 C\n0.856723 0.750000 0.936778 C\n0.735360 0.750000 0.680614 C\n0.643277 0.250000 0.936778 C\n0.382510 0.250000 0.425098 N\n0.854787 0.750000 0.076522 N\n0.380735 0.750000 0.216610 N\n0.117490 0.750000 0.425098 N\n0.880735 0.750000 0.783390 N\n0.145213 0.250000 0.923478 N\n0.617490 0.750000 0.574902 N\n0.354787 0.750000 0.923478 N\n0.882510 0.250000 0.574902 N\n0.119265 0.250000 0.216610 N\n0.619265 0.250000 0.783390 N\n0.645213 0.250000 0.076522 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"C",
"N"
],
"chemical_system": "C-K-N",
"density": 1.6778994771327302,
"density_atomic": 0.05766349281194534,
"volume": 416.2078783238093,
"volume_molar": 10.44359345286222,
"formula_full": "K4 C8 N12",
"formula_reduced": "KC2N3",
"formula_anonymous": "AB2C3",
"energy": -184.56836455,
"energy_per_atom": -7.6903485229166675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.23636455,
"band_gap": 4.6487,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031167,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.183000Z",
"spacegroup": 57
},
{
"id": "mp-757380",
"created_at": "2022-09-04T14:46:03.660540Z",
"structure_string": "Li14 V6 P16 O58\n1.0\n4.919920 8.541065 0.000000\n-4.919920 8.541065 0.000000\n0.000000 0.167245 13.900912\nLi V P O\n14 6 16 58\ndirect\n0.089003 0.678978 0.437377 Li\n0.347586 0.333976 0.611752 Li\n0.333976 0.347586 0.111752 Li\n0.678978 0.089003 0.937377 Li\n0.092181 0.233874 0.937702 Li\n0.763386 0.896295 0.559643 Li\n0.233874 0.092181 0.437702 Li\n0.896295 0.763386 0.059643 Li\n0.335900 0.898618 0.057288 Li\n0.329967 0.768296 0.563526 Li\n0.898618 0.335900 0.557288 Li\n0.768296 0.329967 0.063526 Li\n0.042454 0.941371 0.989680 Li\n0.941371 0.042454 0.489680 Li\n0.564254 0.000216 0.750731 V\n0.437541 0.997796 0.251656 V\n0.000216 0.564254 0.250731 V\n0.997796 0.437540 0.751656 V\n0.437050 0.562568 0.752421 V\n0.562568 0.437050 0.252421 V\n0.218228 0.694432 0.159560 P\n0.090168 0.684711 0.658356 P\n0.694432 0.218228 0.659560 P\n0.330993 0.330116 0.870928 P\n0.330116 0.330993 0.370928 P\n0.684711 0.090168 0.158356 P\n0.774304 0.913815 0.344192 P\n0.094861 0.224698 0.155783 P\n0.913815 0.774304 0.844192 P\n0.224698 0.094861 0.655783 P\n0.310247 0.914438 0.840977 P\n0.670188 0.667875 0.627561 P\n0.667875 0.670188 0.127561 P\n0.309715 0.773044 0.346859 P\n0.914438 0.310247 0.340977 P\n0.773044 0.309715 0.846859 P\n0.220987 0.778163 0.438164 O\n0.253555 0.666766 0.654703 O\n0.987788 0.789648 0.934603 O\n0.076572 0.665144 0.157026 O\n0.368923 0.533109 0.162490 O\n0.324443 0.477909 0.829586 O\n0.533109 0.368923 0.662490 O\n0.778163 0.220987 0.938164 O\n0.666766 0.253555 0.154703 O\n0.183435 0.487639 0.333185 O\n0.108609 0.519462 0.673069 O\n0.477909 0.324443 0.329586 O\n0.326513 0.319263 0.978984 O\n0.319263 0.326513 0.478984 O\n0.487639 0.183435 0.833185 O\n0.112970 0.370975 0.169933 O\n0.185312 0.321347 0.829562 O\n0.665144 0.076572 0.657026 O\n0.791588 0.003690 0.251032 O\n0.789648 0.987788 0.434603 O\n0.767222 0.994829 0.070015 O\n0.519462 0.108609 0.173069 O\n0.321347 0.185312 0.329562 O\n0.745312 0.917778 0.837862 O\n0.370975 0.112970 0.669933 O\n0.077905 0.259254 0.652809 O\n0.003690 0.791588 0.751032 O\n0.994829 0.767222 0.570015 O\n0.002012 0.222601 0.431338 O\n0.917778 0.745312 0.337862 O\n0.618250 0.915376 0.335624 O\n0.259254 0.077905 0.152809 O\n0.671837 0.814959 0.668261 O\n0.465302 0.918074 0.826880 O\n0.222601 0.002012 0.931338 O\n0.236225 0.999935 0.568171 O\n0.202528 0.010363 0.749644 O\n0.326641 0.920502 0.340843 O\n0.814959 0.671837 0.168261 O\n0.915376 0.618250 0.835624 O\n0.517956 0.816572 0.177279 O\n0.655903 0.697496 0.021293 O\n0.697496 0.655903 0.521293 O\n0.518920 0.670639 0.662008 O\n0.918074 0.465302 0.326880 O\n0.816572 0.517956 0.677279 O\n0.336214 0.750702 0.839195 O\n0.196294 0.786109 0.259000 O\n0.205601 0.804180 0.079597 O\n0.467103 0.624912 0.334290 O\n0.670639 0.518920 0.162008 O\n0.624912 0.467103 0.834290 O\n0.920502 0.326641 0.840843 O\n0.999935 0.236225 0.068171 O\n0.010363 0.202528 0.249644 O\n0.750702 0.336214 0.339195 O\n0.804180 0.205601 0.579597 O\n0.786109 0.196294 0.759000 O\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5959368428560348,
"density_atomic": 0.08046082771083359,
"volume": 1168.270358065723,
"volume_molar": 7.484562278731261,
"formula_full": "Li14 V6 P16 O58",
"formula_reduced": "Li7V3P8O29",
"formula_anonymous": "A3B7C8D29",
"energy": -707.5211996300001,
"energy_per_atom": -7.526821272659575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -657.47519963,
"band_gap": 0.8511,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.436000Z",
"spacegroup": 9
},
{
"id": "mp-1080713",
"created_at": "2022-09-04T14:46:03.679917Z",
"structure_string": "Er4 Ni4 Sn2\n1.0\n7.256860 0.000000 0.000000\n0.000000 7.256860 0.000000\n0.000000 0.000000 3.667420\nEr Ni Sn\n4 4 2\ndirect\n0.674368 0.174368 0.500000 Er\n0.325632 0.825632 0.500000 Er\n0.174368 0.325632 0.500000 Er\n0.825632 0.674368 0.500000 Er\n0.878897 0.378897 0.000000 Ni\n0.121103 0.621103 0.000000 Ni\n0.378897 0.121103 0.000000 Ni\n0.621103 0.878897 0.000000 Ni\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Ni",
"Sn"
],
"chemical_system": "Er-Ni-Sn",
"density": 9.81214565461002,
"density_atomic": 0.051777593492233445,
"volume": 193.13373460471823,
"volume_molar": 11.630785352940961,
"formula_full": "Er4 Ni4 Sn2",
"formula_reduced": "Er2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy": -55.49846488,
"energy_per_atom": -5.549846488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.49846488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002629,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.214000Z",
"spacegroup": 127
},
{
"id": "mp-863723",
"created_at": "2022-09-04T14:46:03.696386Z",
"structure_string": "Ho4 Mg2 Ge4\n1.0\n7.262642 0.000000 0.000000\n0.000000 7.262642 0.000000\n0.000000 0.000000 4.256961\nHo Mg Ge\n4 2 4\ndirect\n0.677286 0.177286 0.500000 Ho\n0.322714 0.822714 0.500000 Ho\n0.177286 0.322714 0.500000 Ho\n0.822714 0.677286 0.500000 Ho\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.875908 0.375908 0.000000 Ge\n0.124092 0.624092 0.000000 Ge\n0.375908 0.124092 0.000000 Ge\n0.624092 0.875908 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ge"
],
"chemical_system": "Ge-Ho-Mg",
"density": 7.387174775021036,
"density_atomic": 0.04453598426574674,
"volume": 224.53753217465416,
"volume_molar": 13.521966246587963,
"formula_full": "Ho4 Mg2 Ge4",
"formula_reduced": "Ho2MgGe2",
"formula_anonymous": "AB2C2",
"energy": -47.69944986,
"energy_per_atom": -4.7699449860000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.69944986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001576,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.609000Z",
"spacegroup": 127
},
{
"id": "mp-1220606",
"created_at": "2022-09-04T14:46:03.706783Z",
"structure_string": "Nb5 Cr3 Se20\n1.0\n0.000000 -3.543506 0.000000\n-17.185042 0.000000 -2.425661\n0.031867 0.000000 -10.519428\nNb Cr Se\n5 3 20\ndirect\n0.750000 0.362124 0.271827 Nb\n0.750000 0.862093 0.775127 Nb\n0.250000 0.138489 0.220973 Nb\n0.250000 0.637833 0.724980 Nb\n0.250000 0.275618 0.636772 Nb\n0.250000 0.781129 0.110886 Cr\n0.750000 0.223593 0.878534 Cr\n0.750000 0.718853 0.389280 Cr\n0.250000 0.478852 0.279107 Se\n0.250000 0.977832 0.781203 Se\n0.750000 0.021732 0.215311 Se\n0.750000 0.521926 0.719524 Se\n0.250000 0.256496 0.375317 Se\n0.250000 0.756385 0.877154 Se\n0.750000 0.243315 0.116764 Se\n0.750000 0.743527 0.623055 Se\n0.250000 0.418129 0.089603 Se\n0.250000 0.916744 0.591114 Se\n0.750000 0.083622 0.404038 Se\n0.750000 0.583366 0.909159 Se\n0.750000 0.379109 0.530525 Se\n0.750000 0.880809 0.030292 Se\n0.250000 0.125652 0.961965 Se\n0.250000 0.619120 0.469918 Se\n0.750000 0.165273 0.672028 Se\n0.750000 0.679279 0.171150 Se\n0.250000 0.328501 0.845282 Se\n0.250000 0.820598 0.329111 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"Se"
],
"chemical_system": "Cr-Nb-Se",
"density": 5.699739194172994,
"density_atomic": 0.043691451693033366,
"volume": 640.8576258056589,
"volume_molar": 13.783338677575308,
"formula_full": "Nb5 Cr3 Se20",
"formula_reduced": "Nb5Cr3Se20",
"formula_anonymous": "A3B5C20",
"energy": -175.95373811,
"energy_per_atom": -6.284062075357142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.51373811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6043926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.722000Z",
"spacegroup": 6
},
{
"id": "mp-1201588",
"created_at": "2022-09-04T14:46:03.732592Z",
"structure_string": "Nd12 Fe26 Hg2\n1.0\n8.093624 0.000000 0.000000\n0.000000 8.093624 0.000000\n-4.046812 -4.046812 11.480025\nNd Fe Hg\n12 26 2\ndirect\n0.974930 0.474930 0.625430 Nd\n0.650500 0.150500 0.625430 Nd\n0.150500 0.974930 0.625430 Nd\n0.474930 0.650500 0.625430 Nd\n0.025070 0.525070 0.374570 Nd\n0.349500 0.849500 0.374570 Nd\n0.849500 0.025070 0.374570 Nd\n0.525070 0.349500 0.374570 Nd\n0.605998 0.605998 0.211997 Nd\n0.105998 0.105998 0.211997 Nd\n0.394002 0.394002 0.788003 Nd\n0.894002 0.894002 0.788003 Nd\n0.118075 0.618075 0.880180 Fe\n0.762105 0.262105 0.880180 Fe\n0.262105 0.118075 0.880180 Fe\n0.618075 0.762105 0.880180 Fe\n0.881925 0.381925 0.119820 Fe\n0.237895 0.737895 0.119820 Fe\n0.737895 0.881925 0.119820 Fe\n0.381925 0.237895 0.119820 Fe\n0.710405 0.566724 0.000000 Fe\n0.289595 0.433276 0.000000 Fe\n0.789595 0.066724 0.000000 Fe\n0.210405 0.933276 0.000000 Fe\n0.566724 0.289595 0.000000 Fe\n0.433276 0.710405 0.000000 Fe\n0.066724 0.210405 0.000000 Fe\n0.933276 0.789595 0.000000 Fe\n0.290347 0.790347 0.808372 Fe\n0.518025 0.018025 0.808372 Fe\n0.018025 0.290347 0.808372 Fe\n0.790347 0.518025 0.808372 Fe\n0.709653 0.209653 0.191628 Fe\n0.481975 0.981975 0.191628 Fe\n0.981975 0.709653 0.191628 Fe\n0.209653 0.481975 0.191628 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.250000 0.250000 0.500000 Hg\n0.750000 0.750000 0.500000 Hg\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Hg"
],
"chemical_system": "Fe-Hg-Nd",
"density": 7.913976539287892,
"density_atomic": 0.05319013687561551,
"volume": 752.0191213934928,
"volume_molar": 11.321912508107852,
"formula_full": "Nd12 Fe26 Hg2",
"formula_reduced": "Nd6Fe13Hg",
"formula_anonymous": "AB6C13",
"energy": -279.78054155,
"energy_per_atom": -6.994513538750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.78054155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 53.2279338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.773000Z",
"spacegroup": 140
},
{
"id": "mp-865250",
"created_at": "2022-09-04T14:46:03.766228Z",
"structure_string": "Tm1 Tc2 W1\n1.0\n0.000000 3.229492 3.229492\n3.229492 0.000000 3.229492\n3.229492 3.229492 0.000000\nTm Tc W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tc",
"W"
],
"chemical_system": "Tc-Tm-W",
"density": 13.527269917705432,
"density_atomic": 0.05937824488587948,
"volume": 67.36473952181812,
"volume_molar": 10.141998591528095,
"formula_full": "Tm1 Tc2 W1",
"formula_reduced": "TmTc2W",
"formula_anonymous": "ABC2",
"energy": -38.33934374,
"energy_per_atom": -9.584835935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.33934374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.146000Z",
"spacegroup": 225
}
]
}