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_magnetic&page=1770",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=1768",
"results": [
{
"id": "mp-1235654",
"created_at": "2022-09-04T14:47:30.918258Z",
"structure_string": "Sr2 Li1 Pr2 Fe2 Ru2 O12\n1.0\n0.023045 -5.664160 0.118948\n-5.648898 0.025880 0.022766\n0.029496 0.158946 -8.136352\nSr Li Pr Fe Ru O\n2 1 2 2 2 12\ndirect\n0.472378 0.491405 0.760390 Sr\n0.991357 0.010533 0.246971 Sr\n0.181888 0.960358 0.571102 Li\n0.925459 0.018873 0.822190 Pr\n0.476082 0.492916 0.253279 Pr\n0.989913 0.508701 0.014265 Fe\n0.562150 0.005472 0.489936 Fe\n0.028661 0.504110 0.500143 Ru\n0.483044 0.994753 0.001965 Ru\n0.003310 0.421401 0.737358 O\n0.480819 0.045756 0.740295 O\n0.029109 0.570358 0.254687 O\n0.525047 0.922212 0.249356 O\n0.247721 0.224658 0.445486 O\n0.743387 0.249781 0.032876 O\n0.719756 0.727065 0.976045 O\n0.343431 0.696937 0.506808 O\n0.865927 0.837289 0.547589 O\n0.210123 0.766357 0.961442 O\n0.239839 0.256695 0.034893 O\n0.730596 0.306276 0.452927 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Pr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Li-O-Pr-Ru-Sr",
"density": 6.188762207091044,
"density_atomic": 0.08070180719653308,
"volume": 260.2172210203262,
"volume_molar": 7.4622130150496915,
"formula_full": "Sr2 Li1 Pr2 Fe2 Ru2 O12",
"formula_reduced": "Sr2LiPr2Fe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -158.51571884,
"energy_per_atom": -7.548367563809524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.75971884,
"band_gap": 0.0051999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9885644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.278000Z",
"spacegroup": 1
},
{
"id": "mp-1175506",
"created_at": "2022-09-04T14:47:26.246378Z",
"structure_string": "Li9 Co7 O16\n1.0\n11.367971 0.000000 0.000000\n0.000000 4.954905 0.000000\n0.000000 1.700905 4.743148\nLi Co O\n9 7 16\ndirect\n0.251416 0.000000 0.500000 Li\n0.126259 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.873741 0.500000 0.500000 Li\n0.748584 0.000000 0.500000 Li\n0.616473 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.383527 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.375781 0.000000 0.000000 Co\n0.624219 0.000000 0.000000 Co\n0.254186 0.500000 0.000000 Co\n0.125381 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.874619 0.000000 0.000000 Co\n0.745814 0.500000 0.000000 Co\n0.249234 0.755870 0.218235 O\n0.126038 0.259755 0.212014 O\n0.000000 0.774944 0.231651 O\n0.873962 0.259755 0.212014 O\n0.750766 0.755870 0.218235 O\n0.636176 0.252866 0.218785 O\n0.500000 0.779812 0.230453 O\n0.363824 0.252866 0.218785 O\n0.249234 0.244130 0.781765 O\n0.126038 0.740245 0.787986 O\n0.000000 0.225056 0.768349 O\n0.873962 0.740245 0.787986 O\n0.750766 0.244130 0.781765 O\n0.636176 0.747134 0.781215 O\n0.500000 0.220188 0.769547 O\n0.363824 0.747134 0.781215 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.5433544177184375,
"density_atomic": 0.11977467827380431,
"volume": 267.1683235654214,
"volume_molar": 5.027891409763103,
"formula_full": "Li9 Co7 O16",
"formula_reduced": "Li9Co7O16",
"formula_anonymous": "A7B9C16",
"energy": -201.74770719,
"energy_per_atom": -6.3046158496875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.28970719,
"band_gap": 0.0242999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9940246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.344000Z",
"spacegroup": 10
},
{
"id": "mp-1246807",
"created_at": "2022-09-04T14:47:31.189669Z",
"structure_string": "Sr8 Mn4 N8\n1.0\n6.346713 0.018621 0.000000\n10.344778 4.947779 0.000000\n0.000000 0.000000 12.318646\nSr Mn N\n8 4 8\ndirect\n0.000000 0.444582 0.860649 Sr\n0.000000 0.555418 0.139351 Sr\n0.000000 0.055418 0.360649 Sr\n0.000000 0.944582 0.639351 Sr\n0.000000 0.140485 0.928026 Sr\n0.000000 0.859515 0.071974 Sr\n0.000000 0.359515 0.428026 Sr\n0.000000 0.640485 0.571974 Sr\n0.000000 0.264610 0.666022 Mn\n0.000000 0.735390 0.333978 Mn\n0.000000 0.235390 0.166022 Mn\n0.000000 0.764610 0.833978 Mn\n0.000000 0.416284 0.635977 N\n0.000000 0.583716 0.364023 N\n0.000000 0.083716 0.135977 N\n0.000000 0.916284 0.864023 N\n0.000000 0.154851 0.565759 N\n0.000000 0.845149 0.434241 N\n0.000000 0.345149 0.065759 N\n0.000000 0.654851 0.934241 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 4.460680384677492,
"density_atomic": 0.05202117593629415,
"volume": 384.45882162472213,
"volume_molar": 11.576325701239043,
"formula_full": "Sr8 Mn4 N8",
"formula_reduced": "Sr2MnN2",
"formula_anonymous": "AB2C2",
"energy": -130.47268315,
"energy_per_atom": -6.5236341575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.58468315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.591806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.675000Z",
"spacegroup": 64
},
{
"id": "mp-733988",
"created_at": "2022-09-04T14:47:26.257410Z",
"structure_string": "Rb4 Ho4 S8 O36\n1.0\n8.556290 0.000000 0.000000\n0.000000 10.192597 0.000000\n0.000000 4.830503 9.189434\nRb Ho S O\n4 4 8 36\ndirect\n0.835296 0.781662 0.181681 Rb\n0.335296 0.218338 0.318319 Rb\n0.164704 0.218338 0.818319 Rb\n0.664704 0.781662 0.681681 Rb\n0.870847 0.248207 0.469977 Ho\n0.370847 0.751793 0.030023 Ho\n0.129153 0.751793 0.530023 Ho\n0.629153 0.248207 0.969977 Ho\n0.136362 0.939602 0.684098 S\n0.636362 0.060398 0.815902 S\n0.863638 0.060398 0.315902 S\n0.363638 0.939602 0.184098 S\n0.196427 0.507492 0.390995 S\n0.696427 0.492508 0.109005 S\n0.803573 0.492508 0.609005 S\n0.303573 0.507492 0.890995 S\n0.066499 0.091201 0.618547 O\n0.566499 0.908799 0.881453 O\n0.933501 0.908799 0.381453 O\n0.433501 0.091201 0.118547 O\n0.620057 0.346129 0.434161 O\n0.120057 0.653871 0.065839 O\n0.379943 0.653871 0.565839 O\n0.879943 0.346129 0.934161 O\n0.710728 0.088045 0.676842 O\n0.210728 0.911955 0.823158 O\n0.289272 0.911955 0.323158 O\n0.789272 0.088045 0.176842 O\n0.295057 0.439738 0.522566 O\n0.795057 0.560262 0.977434 O\n0.704943 0.560262 0.477434 O\n0.204943 0.439738 0.022566 O\n0.394083 0.634760 0.885419 O\n0.894083 0.365240 0.614581 O\n0.605917 0.365240 0.114581 O\n0.105917 0.634760 0.385419 O\n0.091023 0.394470 0.385982 O\n0.591023 0.605530 0.114018 O\n0.908977 0.605530 0.614018 O\n0.408977 0.394470 0.885982 O\n0.297471 0.562676 0.256756 O\n0.797471 0.437324 0.243244 O\n0.702529 0.437324 0.743244 O\n0.202529 0.562676 0.756756 O\n0.255460 0.931048 0.581041 O\n0.755460 0.068952 0.918959 O\n0.744540 0.068952 0.418959 O\n0.244540 0.931048 0.081041 O\n0.015479 0.827837 0.700631 O\n0.515479 0.172163 0.799369 O\n0.984521 0.172163 0.299369 O\n0.484521 0.827837 0.200631 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Rb",
"Ho",
"S",
"O"
],
"chemical_system": "Ho-O-Rb-S",
"density": 3.8002383551411794,
"density_atomic": 0.06488498845892687,
"volume": 801.4180357436103,
"volume_molar": 9.281254267020639,
"formula_full": "Rb4 Ho4 S8 O36",
"formula_reduced": "RbHoS2O9",
"formula_anonymous": "ABC2D9",
"energy": -348.61730994000004,
"energy_per_atom": -6.704179037307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.88530994,
"band_gap": 0.0696000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0067822,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.623000Z",
"spacegroup": 14
},
{
"id": "mp-1185486",
"created_at": "2022-09-04T14:47:26.265217Z",
"structure_string": "Li4 Ti8 O16\n1.0\n8.204282 0.000000 -0.007281\n0.000000 3.912662 0.000000\n-0.007737 0.000000 8.905077\nLi Ti O\n4 8 16\ndirect\n0.998802 0.499998 0.239892 Li\n0.251312 0.499998 0.504946 Li\n0.252022 0.000000 0.739786 Li\n0.998247 0.000000 0.004772 Li\n0.270421 0.499998 0.995294 Ti\n0.271587 0.000000 0.258024 Ti\n0.736925 0.000000 0.261450 Ti\n0.513158 0.000000 0.489296 Ti\n0.978583 0.000000 0.492273 Ti\n0.979585 0.499998 0.755054 Ti\n0.513081 0.499998 0.755095 Ti\n0.736468 0.499998 0.995777 Ti\n0.241931 0.000000 0.023248 O\n0.755660 0.000000 0.026029 O\n0.756347 0.499998 0.225458 O\n0.242387 0.499998 0.228301 O\n0.500374 0.000000 0.262689 O\n0.000689 0.000000 0.272893 O\n0.249160 0.000000 0.478273 O\n0.749728 0.000000 0.487954 O\n0.007780 0.499998 0.523493 O\n0.493480 0.499998 0.525115 O\n0.494524 0.000000 0.724667 O\n0.007765 0.000000 0.728291 O\n0.750372 0.499998 0.769953 O\n0.250476 0.499998 0.775351 O\n0.999491 0.499998 0.975598 O\n0.499658 0.499998 0.981015 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.872781925036459,
"density_atomic": 0.09795075210555988,
"volume": 285.8579377708593,
"volume_molar": 6.1481312093551255,
"formula_full": "Li4 Ti8 O16",
"formula_reduced": "LiTi2O4",
"formula_anonymous": "AB2C4",
"energy": -239.73067431,
"energy_per_atom": -8.561809796785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.73867431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0775894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.962000Z",
"spacegroup": 10
},
{
"id": "mp-26741",
"created_at": "2022-09-04T14:47:26.271744Z",
"structure_string": "Li2 Cu8 P6 O24\n1.0\n6.083134 5.986789 0.000000\n-6.083134 5.986789 0.000000\n0.000000 3.614251 6.274315\nLi Cu P O\n2 8 6 24\ndirect\n0.995945 0.004056 0.750000 Li\n0.004055 0.995945 0.250000 Li\n0.938694 0.619033 0.645368 Cu\n0.619033 0.938694 0.145368 Cu\n0.506535 0.493465 0.750000 Cu\n0.733908 0.266092 0.250000 Cu\n0.493465 0.506535 0.250000 Cu\n0.061306 0.380967 0.354632 Cu\n0.266092 0.733908 0.750000 Cu\n0.380967 0.061306 0.854632 Cu\n0.722028 0.277972 0.750000 P\n0.887820 0.659265 0.116431 P\n0.112180 0.340735 0.883569 P\n0.277972 0.722028 0.250000 P\n0.340735 0.112180 0.383569 P\n0.659265 0.887820 0.616431 P\n0.410198 0.039973 0.208498 O\n0.468160 0.730617 0.242324 O\n0.168243 0.169550 0.389497 O\n0.264086 0.479490 0.833073 O\n0.479490 0.264086 0.333073 O\n0.039973 0.410198 0.708498 O\n0.269383 0.531840 0.257676 O\n0.830450 0.831757 0.110503 O\n0.983000 0.306474 0.112781 O\n0.730617 0.468160 0.742324 O\n0.169550 0.168243 0.889497 O\n0.747921 0.164029 0.949669 O\n0.589802 0.960027 0.791502 O\n0.252079 0.835971 0.050331 O\n0.835971 0.252079 0.550331 O\n0.693526 0.017000 0.387219 O\n0.306474 0.983000 0.612781 O\n0.531840 0.269383 0.757676 O\n0.960027 0.589802 0.291502 O\n0.735914 0.520510 0.166927 O\n0.164029 0.747921 0.449669 O\n0.520510 0.735914 0.666927 O\n0.017000 0.693526 0.887219 O\n0.831757 0.830450 0.610503 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.9681234491787185,
"density_atomic": 0.08752706018656364,
"volume": 457.00152518249934,
"volume_molar": 6.880318780459239,
"formula_full": "Li2 Cu8 P6 O24",
"formula_reduced": "LiCu4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -266.164017,
"energy_per_atom": -6.654100425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.676017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0013515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.271000Z",
"spacegroup": 15
},
{
"id": "mp-862606",
"created_at": "2022-09-04T14:47:30.916714Z",
"structure_string": "Eu1 Sn1 O3\n1.0\n4.124797 0.000000 0.000000\n0.000000 4.124797 0.000000\n0.000000 0.000000 4.124797\nEu Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Sn",
"O"
],
"chemical_system": "Eu-O-Sn",
"density": 7.540246376796273,
"density_atomic": 0.07124629174091643,
"volume": 70.179091119328,
"volume_molar": 8.452567302589184,
"formula_full": "Eu1 Sn1 O3",
"formula_reduced": "EuSnO3",
"formula_anonymous": "ABC3",
"energy": -41.8562017,
"energy_per_atom": -8.37124034,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.7952017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8881432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.726000Z",
"spacegroup": 221
},
{
"id": "mp-976955",
"created_at": "2022-09-04T14:47:26.287720Z",
"structure_string": "Li4 Ru2 F12\n1.0\n4.718937 0.000000 0.000000\n0.000000 4.718937 0.000000\n0.000000 0.000000 9.297125\nLi Ru F\n4 2 12\ndirect\n0.500000 0.500000 0.167600 Li\n0.000000 0.000000 0.332400 Li\n0.000000 0.000000 0.667600 Li\n0.500000 0.500000 0.832400 Li\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.288212 0.288212 0.000000 F\n0.711788 0.711788 0.000000 F\n0.805737 0.194263 0.160465 F\n0.194263 0.805737 0.160465 F\n0.305737 0.305737 0.339535 F\n0.694263 0.694263 0.339535 F\n0.788212 0.211788 0.500000 F\n0.211788 0.788212 0.500000 F\n0.305737 0.305737 0.660465 F\n0.694263 0.694263 0.660465 F\n0.805737 0.194263 0.839535 F\n0.194263 0.805737 0.839535 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Ru",
"F"
],
"chemical_system": "F-Li-Ru",
"density": 3.6725551985978973,
"density_atomic": 0.0869431711072895,
"volume": 207.03178605928306,
"volume_molar": 6.9265253191289355,
"formula_full": "Li4 Ru2 F12",
"formula_reduced": "Li2RuF6",
"formula_anonymous": "AB2C6",
"energy": -95.88268197,
"energy_per_atom": -5.326815665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.33868197,
"band_gap": 0.0398,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0013504,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.456000Z",
"spacegroup": 136
},
{
"id": "mp-20665",
"created_at": "2022-09-04T14:47:26.288668Z",
"structure_string": "Ce3 In3 Cu3\n1.0\n3.683425 -6.379879 0.000000\n3.683425 6.379879 0.000000\n0.000000 0.000000 4.294877\nCe In Cu\n3 3 3\ndirect\n0.000000 0.581851 0.500000 Ce\n0.418149 0.418149 0.500000 Ce\n0.581851 0.000000 0.500000 Ce\n0.752775 0.752775 0.000000 In\n0.000000 0.247225 0.000000 In\n0.247225 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333333 0.000000 Cu\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"In",
"Cu"
],
"chemical_system": "Ce-Cu-In",
"density": 7.859728004128345,
"density_atomic": 0.04458589712936305,
"volume": 201.85755091766106,
"volume_molar": 13.506828723278023,
"formula_full": "Ce3 In3 Cu3",
"formula_reduced": "CeInCu",
"formula_anonymous": "ABC",
"energy": -41.53922435,
"energy_per_atom": -4.615469372222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.53922435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.947039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.134000Z",
"spacegroup": 189
},
{
"id": "mp-1178456",
"created_at": "2022-09-04T14:47:31.359035Z",
"structure_string": "Co4 O6 F2\n1.0\n-0.178985 4.481934 -2.993657\n-4.481576 0.179567 -2.993016\n-4.479826 0.176900 2.990742\nCo O F\n4 6 2\ndirect\n0.464768 0.252730 0.212039 Co\n0.535201 0.747268 0.787933 Co\n0.999995 0.500016 0.499979 Co\n0.000007 0.999994 0.000013 Co\n0.822891 0.747640 0.075312 O\n0.177117 0.252356 0.924701 O\n0.298700 0.201306 0.500026 O\n0.303622 0.696339 0.999962 O\n0.701302 0.798681 0.499990 O\n0.696380 0.303665 0.000036 O\n0.783923 0.253710 0.530192 F\n0.216093 0.746295 0.469818 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.118706570259111,
"density_atomic": 0.10004892039979105,
"volume": 119.94132422467462,
"volume_molar": 6.01919614518157,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy": -77.49147318,
"energy_per_atom": -6.457622765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.89347318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9827259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.831000Z",
"spacegroup": 74
},
{
"id": "mp-1212624",
"created_at": "2022-09-04T14:47:26.289797Z",
"structure_string": "Ge14 N4 O30\n1.0\n3.701056 6.651169 0.000000\n-3.701056 6.651169 0.000000\n0.000000 3.674852 14.917698\nGe N O\n14 4 30\ndirect\n0.858149 0.055092 0.852050 Ge\n0.141851 0.944908 0.147950 Ge\n0.944908 0.141851 0.647950 Ge\n0.055092 0.858149 0.352050 Ge\n0.760631 0.872444 0.625218 Ge\n0.239369 0.127556 0.374782 Ge\n0.127556 0.239369 0.874782 Ge\n0.872444 0.760631 0.125218 Ge\n0.285796 0.232275 0.663296 Ge\n0.714204 0.767725 0.336704 Ge\n0.767725 0.714204 0.836704 Ge\n0.232275 0.285796 0.163296 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.422813 0.664665 0.575758 N\n0.577187 0.335335 0.424242 N\n0.335335 0.577187 0.924242 N\n0.664665 0.422813 0.075758 N\n0.716640 0.732329 0.726274 O\n0.283360 0.267671 0.273726 O\n0.267671 0.283360 0.773726 O\n0.732329 0.716640 0.226274 O\n0.778245 0.221755 0.750000 O\n0.221755 0.778245 0.250000 O\n0.527813 0.875253 0.899422 O\n0.472187 0.124747 0.100578 O\n0.124747 0.472187 0.600578 O\n0.875253 0.527813 0.399422 O\n0.203186 0.050977 0.667407 O\n0.796814 0.949023 0.332593 O\n0.949023 0.796814 0.832593 O\n0.050977 0.203186 0.167407 O\n0.546695 0.132909 0.616252 O\n0.453305 0.867091 0.383748 O\n0.867091 0.453305 0.883748 O\n0.132909 0.546695 0.116252 O\n0.762250 0.778436 0.030866 O\n0.237750 0.221564 0.969134 O\n0.221564 0.237750 0.469134 O\n0.778436 0.762250 0.530866 O\n0.633228 0.150851 0.933198 O\n0.366772 0.849149 0.066802 O\n0.849149 0.366772 0.566802 O\n0.150851 0.633228 0.433198 O\n0.919097 0.970560 0.115366 O\n0.080903 0.029440 0.884634 O\n0.029440 0.080903 0.384634 O\n0.970560 0.919097 0.615366 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O",
"density": 3.511206583716036,
"density_atomic": 0.06535604926579525,
"volume": 734.4385185339115,
"volume_molar": 9.214358621202258,
"formula_full": "Ge14 N4 O30",
"formula_reduced": "Ge7N2O15",
"formula_anonymous": "A2B7C15",
"energy": -307.53246110000003,
"energy_per_atom": -6.406926272916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.9224611,
"band_gap": 0.0024999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0187064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.480000Z",
"spacegroup": 15
},
{
"id": "mp-1207353",
"created_at": "2022-09-04T14:47:26.290329Z",
"structure_string": "Er2 Cu1 Sb3\n1.0\n11.000904 0.000000 0.000000\n0.000000 11.000904 0.000000\n0.000000 0.000000 39.794022\nEr Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242858 Er\n0.500000 0.500000 0.757142 Er\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691208 Sb\n0.500000 0.500000 0.308792 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Sb"
],
"chemical_system": "Cu-Er-Sb",
"density": 0.263205408077758,
"density_atomic": 0.0012458812934550577,
"volume": 4815.868118029847,
"volume_molar": 483.3639281395339,
"formula_full": "Er2 Cu1 Sb3",
"formula_reduced": "Er2CuSb3",
"formula_anonymous": "AB2C3",
"energy": -11.39697784,
"energy_per_atom": -1.8994963066666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.82097784,
"band_gap": 0.1115000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.959939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.051000Z",
"spacegroup": 123
}
]
}