HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12193",
"results": [
{
"id": "mp-1224851",
"created_at": "2022-09-04T14:39:25.170752Z",
"structure_string": "Ga1 Cu1 Ge1 Se4\n1.0\n-2.791350 2.791350 5.469014\n2.791350 -2.791350 5.469014\n2.791350 2.791350 -5.469014\nGa Cu Ge Se\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Ge\n0.115132 0.118158 0.472855 Se\n0.645303 0.642277 0.527145 Se\n0.357723 0.884868 0.003026 Se\n0.881842 0.354697 0.996974 Se\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ga",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ga-Ge-Se",
"density": 5.082918034851982,
"density_atomic": 0.04106770405233087,
"volume": 170.45023970856005,
"volume_molar": 14.663933372867,
"formula_full": "Ga1 Cu1 Ge1 Se4",
"formula_reduced": "GaCuGeSe4",
"formula_anonymous": "ABCD4",
"energy": -30.34149088,
"energy_per_atom": -4.334498697142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.45349088,
"band_gap": 0.7335000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.749000Z",
"spacegroup": 82
},
{
"id": "mp-1222749",
"created_at": "2022-09-04T14:39:25.173760Z",
"structure_string": "La1 Zn2 Ni3\n1.0\n0.000000 0.000000 -3.907402\n-5.241958 -0.001313 0.000000\n-2.619841 4.540325 0.000000\nLa Zn Ni\n1 2 3\ndirect\n0.000000 0.999978 0.000022 La\n0.000000 0.333343 0.333398 Zn\n0.000000 0.666602 0.666657 Zn\n0.500000 0.499994 0.500006 Ni\n0.500000 0.499995 0.000013 Ni\n0.500000 0.999987 0.500005 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Zn",
"Ni"
],
"chemical_system": "La-Ni-Zn",
"density": 7.959053063031104,
"density_atomic": 0.06450894118271332,
"volume": 93.01036243961543,
"volume_molar": 9.335358245833019,
"formula_full": "La1 Zn2 Ni3",
"formula_reduced": "LaZn2Ni3",
"formula_anonymous": "AB2C3",
"energy": -26.95622418,
"energy_per_atom": -4.49270403,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.95622418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.702000Z",
"spacegroup": 191
},
{
"id": "mp-1211649",
"created_at": "2022-09-04T14:39:25.183394Z",
"structure_string": "K8 Hf2 O8\n1.0\n6.614610 0.000000 0.000000\n2.590449 6.096470 0.000000\n1.697942 2.612999 9.365477\nK Hf O\n8 2 8\ndirect\n0.777512 0.040637 0.382215 K\n0.222488 0.959363 0.617785 K\n0.742136 0.588284 0.166785 K\n0.257864 0.411716 0.833215 K\n0.242602 0.763760 0.025884 K\n0.757398 0.236240 0.974116 K\n0.273298 0.512700 0.441421 K\n0.726702 0.487300 0.558579 K\n0.276843 0.154289 0.246214 Hf\n0.723157 0.845711 0.753786 Hf\n0.039746 0.290836 0.377888 O\n0.960254 0.709164 0.622112 O\n0.541886 0.155017 0.647812 O\n0.458114 0.844983 0.352188 O\n0.462228 0.341562 0.190986 O\n0.537772 0.658438 0.809014 O\n0.132299 0.159475 0.086050 O\n0.867701 0.840525 0.913950 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Hf",
"O"
],
"chemical_system": "Hf-K-O",
"density": 3.507596592726572,
"density_atomic": 0.04766064542639304,
"volume": 377.6700848040161,
"volume_molar": 12.635457841838456,
"formula_full": "K8 Hf2 O8",
"formula_reduced": "K4HfO4",
"formula_anonymous": "AB4C4",
"energy": -111.94831939,
"energy_per_atom": -6.219351077222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.45231939,
"band_gap": 2.9052,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.977000Z",
"spacegroup": 2
},
{
"id": "mp-775780",
"created_at": "2022-09-04T14:39:25.183601Z",
"structure_string": "Ti3 Cr2 Co1 P6 O24\n1.0\n7.490815 -4.319208 0.000000\n7.490815 4.319208 0.000000\n5.000358 0.000000 7.054381\nTi Cr Co P O\n3 2 1 6 24\ndirect\n0.144339 0.144339 0.144339 Ti\n0.354871 0.354871 0.354871 Ti\n0.645954 0.645954 0.645954 Ti\n0.997145 0.997145 0.997145 Cr\n0.499452 0.499452 0.499452 Cr\n0.855118 0.855118 0.855118 Co\n0.457897 0.751592 0.043316 P\n0.751592 0.043316 0.457897 P\n0.957275 0.543467 0.250261 P\n0.250261 0.957275 0.543467 P\n0.543467 0.250261 0.957275 P\n0.043316 0.457897 0.751592 P\n0.493734 0.312878 0.120163 O\n0.120163 0.493734 0.312878 O\n0.260729 0.914985 0.058018 O\n0.312878 0.120163 0.493734 O\n0.612743 0.806598 0.012825 O\n0.434282 0.583788 0.235003 O\n0.914985 0.058018 0.260729 O\n0.583788 0.235003 0.434282 O\n0.000235 0.377648 0.194210 O\n0.235003 0.434282 0.583788 O\n0.946856 0.734351 0.089089 O\n0.194210 0.000235 0.377648 O\n0.806598 0.012825 0.612743 O\n0.058018 0.260729 0.914985 O\n0.766235 0.554663 0.418177 O\n0.012825 0.612743 0.806598 O\n0.418177 0.766235 0.554663 O\n0.089089 0.946856 0.734351 O\n0.554663 0.418177 0.766235 O\n0.377648 0.194210 0.000235 O\n0.694773 0.877583 0.499749 O\n0.734351 0.089089 0.946856 O\n0.877583 0.499749 0.694773 O\n0.499749 0.694773 0.877583 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ti",
"Cr",
"Co",
"P",
"O"
],
"chemical_system": "Co-Cr-O-P-Ti",
"density": 3.1879158864840726,
"density_atomic": 0.07886429094388935,
"volume": 456.4803609990409,
"volume_molar": 7.636080522532884,
"formula_full": "Ti3 Cr2 Co1 P6 O24",
"formula_reduced": "Ti3Cr2Co(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -299.31633103,
"energy_per_atom": -8.314342528611112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.19233103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.3062882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.299000Z",
"spacegroup": 146
},
{
"id": "mp-28198",
"created_at": "2022-09-04T14:39:25.204782Z",
"structure_string": "Rb6 In6 I24\n1.0\n8.105396 -12.767653 0.000000\n8.105396 12.767653 0.000000\n-12.006261 0.000000 9.195657\nRb In I\n6 6 24\ndirect\n0.876422 0.688616 0.092834 Rb\n0.092834 0.876422 0.688616 Rb\n0.688616 0.092834 0.876422 Rb\n0.188616 0.376422 0.592834 Rb\n0.592834 0.188616 0.376422 Rb\n0.376422 0.592834 0.188616 Rb\n0.863328 0.075163 0.681250 In\n0.681250 0.863328 0.075163 In\n0.075163 0.681250 0.863328 In\n0.575163 0.363328 0.181250 In\n0.181250 0.575163 0.363328 In\n0.363328 0.181250 0.575163 In\n0.963127 0.114984 0.909653 I\n0.909653 0.963127 0.114984 I\n0.114984 0.909653 0.963127 I\n0.614984 0.463127 0.409653 I\n0.409653 0.614984 0.463127 I\n0.463127 0.409653 0.614984 I\n0.073747 0.329353 0.782193 I\n0.782193 0.073747 0.329353 I\n0.329353 0.782193 0.073747 I\n0.829353 0.573747 0.282193 I\n0.282193 0.829353 0.573747 I\n0.573747 0.282193 0.829353 I\n0.616472 0.008100 0.550690 I\n0.550690 0.616472 0.008100 I\n0.008100 0.550690 0.616472 I\n0.508100 0.116472 0.050690 I\n0.050690 0.508100 0.116472 I\n0.116472 0.050690 0.508100 I\n0.792564 0.846160 0.475743 I\n0.475743 0.792564 0.846160 I\n0.846160 0.475743 0.792564 I\n0.346160 0.292564 0.975743 I\n0.975743 0.346160 0.292564 I\n0.292564 0.975743 0.346160 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"In",
"I"
],
"chemical_system": "I-In-Rb",
"density": 3.7057528383916076,
"density_atomic": 0.018914916692290045,
"volume": 1903.2597703522556,
"volume_molar": 31.838050666407103,
"formula_full": "Rb6 In6 I24",
"formula_reduced": "RbInI4",
"formula_anonymous": "ABC4",
"energy": -100.13611018,
"energy_per_atom": -2.781558616111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.04011018,
"band_gap": 2.6223,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.003627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.979000Z",
"spacegroup": 161
},
{
"id": "mp-772925",
"created_at": "2022-09-04T14:39:25.190957Z",
"structure_string": "Li8 Ti10 O24\n1.0\n5.288158 0.000000 0.000000\n1.832920 9.354051 0.000000\n2.057781 2.535116 9.379717\nLi Ti O\n8 10 24\ndirect\n0.132125 0.408060 0.404374 Li\n0.338455 0.576808 0.110930 Li\n0.273272 0.907074 0.022621 Li\n0.310334 0.769983 0.555790 Li\n0.689666 0.230017 0.444210 Li\n0.726728 0.092926 0.977379 Li\n0.661545 0.423192 0.889070 Li\n0.867875 0.591940 0.595626 Li\n0.273124 0.099414 0.275403 Ti\n0.176821 0.099182 0.674995 Ti\n0.188259 0.259028 0.932125 Ti\n0.137048 0.594236 0.850612 Ti\n0.433059 0.412336 0.646008 Ti\n0.566941 0.587664 0.353992 Ti\n0.862952 0.405764 0.149388 Ti\n0.811741 0.740972 0.067875 Ti\n0.823179 0.900818 0.325005 Ti\n0.726876 0.900586 0.724597 Ti\n0.046681 0.263045 0.303118 O\n0.235921 0.422775 0.010869 O\n0.343400 0.102405 0.087990 O\n0.104177 0.101743 0.861548 O\n0.058584 0.425700 0.778540 O\n0.120165 0.930420 0.377743 O\n0.322454 0.261832 0.567568 O\n0.262461 0.566973 0.485938 O\n0.584650 0.068924 0.342798 O\n0.161116 0.727342 0.951914 O\n0.542761 0.425260 0.270943 O\n0.474011 0.728834 0.186139 O\n0.525989 0.271166 0.813861 O\n0.457239 0.574740 0.729057 O\n0.838884 0.272658 0.048086 O\n0.415350 0.931076 0.657202 O\n0.737539 0.433027 0.514062 O\n0.677546 0.738168 0.432432 O\n0.879835 0.069580 0.622257 O\n0.941416 0.574300 0.221460 O\n0.895823 0.898257 0.138452 O\n0.656600 0.897595 0.912010 O\n0.764079 0.577225 0.989131 O\n0.953319 0.736955 0.696882 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.2861299803419572,
"density_atomic": 0.09052226229838933,
"volume": 463.9742637181893,
"volume_molar": 6.652662678876898,
"formula_full": "Li8 Ti10 O24",
"formula_reduced": "Li4Ti5O12",
"formula_anonymous": "A4B5C12",
"energy": -346.67216201,
"energy_per_atom": -8.25409909547619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.18416201,
"band_gap": 3.0153,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.428000Z",
"spacegroup": 2
},
{
"id": "mp-1227215",
"created_at": "2022-09-04T14:39:25.192389Z",
"structure_string": "Cd2 Pt18 O24\n1.0\n5.735619 0.000000 0.000000\n0.000000 5.753097 0.000000\n0.000000 0.000000 17.159288\nCd Pt O\n2 18 24\ndirect\n0.500000 0.500000 0.332306 Cd\n0.500000 0.500000 0.667694 Cd\n0.500000 0.000000 0.418576 Pt\n0.500000 0.000000 0.754083 Pt\n0.500000 0.000000 0.082739 Pt\n0.752366 0.500000 0.162260 Pt\n0.757564 0.500000 0.500000 Pt\n0.752366 0.500000 0.837740 Pt\n0.000000 0.756975 0.331474 Pt\n0.000000 0.756975 0.668526 Pt\n0.000000 0.753565 0.000000 Pt\n0.500000 0.000000 0.245917 Pt\n0.500000 0.000000 0.581424 Pt\n0.500000 0.000000 0.917261 Pt\n0.247634 0.500000 0.162260 Pt\n0.242436 0.500000 0.500000 Pt\n0.247634 0.500000 0.837740 Pt\n0.000000 0.243025 0.331474 Pt\n0.000000 0.243025 0.668526 Pt\n0.000000 0.246435 0.000000 Pt\n0.741894 0.741485 0.413201 O\n0.739960 0.739632 0.749416 O\n0.750248 0.752655 0.081755 O\n0.260040 0.260368 0.250584 O\n0.258106 0.258515 0.586799 O\n0.249752 0.247345 0.918245 O\n0.260040 0.739632 0.250584 O\n0.258106 0.741485 0.586799 O\n0.249752 0.752655 0.918245 O\n0.741894 0.258515 0.413201 O\n0.739960 0.260368 0.749416 O\n0.750248 0.247345 0.081755 O\n0.258106 0.258515 0.413201 O\n0.260040 0.260368 0.749416 O\n0.249752 0.247345 0.081755 O\n0.739960 0.739632 0.250584 O\n0.741894 0.741485 0.586799 O\n0.750248 0.752655 0.918245 O\n0.739960 0.260368 0.250584 O\n0.741894 0.258515 0.586799 O\n0.750248 0.247345 0.918245 O\n0.258106 0.741485 0.413201 O\n0.260040 0.739632 0.749416 O\n0.249752 0.752655 0.081755 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Cd",
"Pt",
"O"
],
"chemical_system": "Cd-O-Pt",
"density": 12.083666955435307,
"density_atomic": 0.07770901816501188,
"volume": 566.2148491770649,
"volume_molar": 7.749603459423762,
"formula_full": "Cd2 Pt18 O24",
"formula_reduced": "Cd(Pt3O4)3",
"formula_anonymous": "AB9C12",
"energy": -267.81311395,
"energy_per_atom": -6.086661680681818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.32511395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0147701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.966000Z",
"spacegroup": 47
}
]
}