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=volume&page=84",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=82",
"results": [
{
"id": "mp-971631",
"created_at": "2022-09-04T14:41:03.597898Z",
"structure_string": "Ga1 P1\n1.0\n2.565327 0.000000 0.000000\n0.000000 2.565327 0.000000\n0.000000 0.000000 5.250388\nGa P\n1 1\ndirect\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"P"
],
"chemical_system": "Ga-P",
"density": 4.839357879830287,
"density_atomic": 0.057883280001445235,
"volume": 34.55229212909261,
"volume_molar": 10.40393833910179,
"formula_full": "Ga1 P1",
"formula_reduced": "GaP",
"formula_anonymous": "AB",
"energy": -8.11377068,
"energy_per_atom": -4.05688534,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.11377068,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.262000Z",
"spacegroup": 123
},
{
"id": "mp-976292",
"created_at": "2022-09-04T14:44:41.939698Z",
"structure_string": "Na1 Cu1\n1.0\n1.418297 -2.456563 0.000000\n1.418297 2.456563 0.000000\n0.000000 0.000000 4.960376\nNa Cu\n1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Cu"
],
"chemical_system": "Cu-Na",
"density": 4.157239761567835,
"density_atomic": 0.05786158309837369,
"volume": 34.565248527674896,
"volume_molar": 10.40783960190205,
"formula_full": "Na1 Cu1",
"formula_reduced": "NaCu",
"formula_anonymous": "AB",
"energy": -4.64179812,
"energy_per_atom": -2.32089906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64179812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.526000Z",
"spacegroup": 187
},
{
"id": "mp-1222334",
"created_at": "2022-09-04T14:46:58.460706Z",
"structure_string": "Li1 Co1 O2\n1.0\n2.993528 0.000000 0.000000\n0.000000 2.993528 0.000000\n0.000000 0.000000 3.857433\nLi Co O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.7016136103035935,
"density_atomic": 0.11571640970081545,
"volume": 34.567266737206864,
"volume_molar": 5.204223649498142,
"formula_full": "Li1 Co1 O2",
"formula_reduced": "LiCoO2",
"formula_anonymous": "ABC2",
"energy": -25.07521374,
"energy_per_atom": -6.268803435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.06321374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7700482,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.818000Z",
"spacegroup": 123
},
{
"id": "mp-631537",
"created_at": "2022-09-04T14:41:49.640290Z",
"structure_string": "Be1 Re1 B1\n1.0\n0.000000 2.586448 2.586448\n2.586448 0.000000 2.586448\n2.586448 2.586448 0.000000\nBe Re B\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.750000 0.750000 0.750000 Re\n0.000000 0.000000 0.000000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Re",
"B"
],
"chemical_system": "B-Be-Re",
"density": 9.886411741988326,
"density_atomic": 0.08669219611058539,
"volume": 34.605190946751094,
"volume_molar": 6.946577696933759,
"formula_full": "Be1 Re1 B1",
"formula_reduced": "BeReB",
"formula_anonymous": "ABC",
"energy": -20.32765515,
"energy_per_atom": -6.775885049999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.32765515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.164000Z",
"spacegroup": 216
},
{
"id": "mp-11452",
"created_at": "2022-09-04T14:42:37.906951Z",
"structure_string": "Hf1 Os1\n1.0\n3.258835 0.000000 0.000000\n0.000000 3.258835 0.000000\n0.000000 0.000000 3.258835\nHf Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Os"
],
"chemical_system": "Hf-Os",
"density": 17.691256391406036,
"density_atomic": 0.057788693993878544,
"volume": 34.60884581007933,
"volume_molar": 10.420967050471697,
"formula_full": "Hf1 Os1",
"formula_reduced": "HfOs",
"formula_anonymous": "AB",
"energy": -22.60216114,
"energy_per_atom": -11.30108057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.60216114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.119000Z",
"spacegroup": 221
},
{
"id": "mp-8454",
"created_at": "2022-09-04T14:43:06.726249Z",
"structure_string": "K1 F1\n1.0\n3.258955 0.000000 0.000000\n0.000000 3.258955 0.000000\n0.000000 0.000000 3.258955\nK F\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"F"
],
"chemical_system": "F-K",
"density": 2.787183065200986,
"density_atomic": 0.05778231060907796,
"volume": 34.612669152863326,
"volume_molar": 10.422118285892646,
"formula_full": "K1 F1",
"formula_reduced": "KF",
"formula_anonymous": "AB",
"energy": -8.687677599999999,
"energy_per_atom": -4.3438387999999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.2256776,
"band_gap": 6.274699999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.477000Z",
"spacegroup": 221
},
{
"id": "mp-1246462",
"created_at": "2022-09-04T14:44:11.093746Z",
"structure_string": "Li1 Co1 N1\n1.0\n3.063802 0.000000 0.000000\n-1.531901 2.764874 0.000000\n0.000000 0.000000 4.087417\nLi Co N\n1 1 1\ndirect\n0.670595 0.341189 0.000000 Li\n0.997669 0.995339 0.500000 Co\n0.665136 0.330272 0.500000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Co",
"N"
],
"chemical_system": "Co-Li-N",
"density": 3.8309548432644305,
"density_atomic": 0.08664355595658323,
"volume": 34.6246176865512,
"volume_molar": 6.950477382319895,
"formula_full": "Li1 Co1 N1",
"formula_reduced": "LiCoN",
"formula_anonymous": "ABC",
"energy": -17.9742027,
"energy_per_atom": -5.9914008999999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.6132027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3584883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.772000Z",
"spacegroup": 187
},
{
"id": "mp-973292",
"created_at": "2022-09-04T14:43:49.822042Z",
"structure_string": "Mn1 Be3\n1.0\n3.259539 0.000000 0.000000\n0.000000 3.259539 0.000000\n0.000000 0.000000 3.259539\nMn Be\n1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Be"
],
"chemical_system": "Be-Mn",
"density": 3.930608698300803,
"density_atomic": 0.11550251644111473,
"volume": 34.631280107557416,
"volume_molar": 5.2138610876674685,
"formula_full": "Mn1 Be3",
"formula_reduced": "MnBe3",
"formula_anonymous": "AB3",
"energy": -21.09581473,
"energy_per_atom": -5.2739536825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.09581473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8840465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.496000Z",
"spacegroup": 221
},
{
"id": "mp-978009",
"created_at": "2022-09-04T14:41:36.885658Z",
"structure_string": "Hg1 Os1\n1.0\n1.446344 -2.505141 0.000000\n1.446344 2.505141 0.000000\n0.000000 0.000000 4.779683\nHg Os\n1 1\ndirect\n0.333333 0.666667 0.500000 Hg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Os"
],
"chemical_system": "Hg-Os",
"density": 18.73669619213958,
"density_atomic": 0.05774270604647353,
"volume": 34.63640928761329,
"volume_molar": 10.429266607548927,
"formula_full": "Hg1 Os1",
"formula_reduced": "HgOs",
"formula_anonymous": "AB",
"energy": -9.54808044,
"energy_per_atom": -4.77404022,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.54808044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.589000Z",
"spacegroup": 187
},
{
"id": "mp-834",
"created_at": "2022-09-04T14:43:11.999948Z",
"structure_string": "Th1 N1\n1.0\n0.000000 2.587916 2.587916\n2.587916 0.000000 2.587916\n2.587916 2.587916 0.000000\nTh N\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"N"
],
"chemical_system": "N-Th",
"density": 11.78644123302887,
"density_atomic": 0.057696500579241645,
"volume": 34.664147390588376,
"volume_molar": 10.437618745575495,
"formula_full": "Th1 N1",
"formula_reduced": "ThN",
"formula_anonymous": "AB",
"energy": -19.25539616,
"energy_per_atom": -9.62769808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.89439616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.147000Z",
"spacegroup": 225
},
{
"id": "mp-1073705",
"created_at": "2022-09-04T14:40:03.656493Z",
"structure_string": "Mg1 Si1\n1.0\n2.908394 0.000000 0.000000\n0.000000 2.908394 0.000000\n0.000000 0.000000 4.103427\nMg Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5063888446691336,
"density_atomic": 0.057620470990379556,
"volume": 34.709886358511795,
"volume_molar": 10.451391070728093,
"formula_full": "Mg1 Si1",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -6.72368782,
"energy_per_atom": -3.36184391,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.79468782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.205000Z",
"spacegroup": 123
},
{
"id": "mp-46",
"created_at": "2022-09-04T14:39:08.433028Z",
"structure_string": "Ti2\n1.0\n1.466907 -2.540757 0.000000\n1.466907 2.540757 0.000000\n0.000000 0.000000 4.657009\nTi\n2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.579441525890857,
"density_atomic": 0.05761389157589635,
"volume": 34.713850172147204,
"volume_molar": 10.452584602911035,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -15.78211434,
"energy_per_atom": -7.89105717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78211434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.339000Z",
"spacegroup": 194
}
]
}