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=93",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=91",
"results": [
{
"id": "mp-568938",
"created_at": "2022-09-04T14:47:44.180667Z",
"structure_string": "Pr1\n1.0\n-2.190241 2.190241 1.882178\n2.190241 -2.190241 1.882178\n2.190241 2.190241 -1.882178\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.478570310382371,
"density_atomic": 0.027688249960993765,
"volume": 36.11640321828808,
"volume_molar": 21.749806392544777,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -4.69519808,
"energy_per_atom": -4.69519808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.69519808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000501,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.762000Z",
"spacegroup": 139
},
{
"id": "mp-1077743",
"created_at": "2022-09-04T14:46:54.903977Z",
"structure_string": "B1 C5\n1.0\n-1.252600 1.867137 3.862554\n1.252600 -1.867137 3.862554\n1.252600 1.867137 -3.862554\nB C\n1 5\ndirect\n0.475824 0.500000 0.975824 B\n0.888798 0.672384 0.216414 C\n0.544030 0.327616 0.216414 C\n0.126699 0.168442 0.958257 C\n0.789815 0.831558 0.958257 C\n0.174735 0.000000 0.174735 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2565269506759633,
"density_atomic": 0.16604587932588077,
"volume": 36.13459138136413,
"volume_molar": 3.626793260060961,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.30656161,
"energy_per_atom": -8.551093601666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.30656161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.705000Z",
"spacegroup": 44
},
{
"id": "mp-1009494",
"created_at": "2022-09-04T14:42:55.943445Z",
"structure_string": "Np1 N1\n1.0\n0.000000 2.625000 2.625000\n2.625000 0.000000 2.625000\n2.625000 2.625000 0.000000\nNp N\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 11.5216981341169,
"density_atomic": 0.05528560630601447,
"volume": 36.17578125,
"volume_molar": 10.892782339523439,
"formula_full": "Np1 N1",
"formula_reduced": "NpN",
"formula_anonymous": "AB",
"energy": -23.41452209,
"energy_per_atom": -11.707261045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.05352209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9818491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.922000Z",
"spacegroup": 216
},
{
"id": "mp-1185302",
"created_at": "2022-09-04T14:44:43.345815Z",
"structure_string": "Li1 B1 O3\n1.0\n3.307567 0.000000 0.000000\n0.000000 3.307567 0.000000\n0.000000 0.000000 3.307567\nLi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 B\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": [
"Li",
"B",
"O"
],
"chemical_system": "B-Li-O",
"density": 3.0173120339394766,
"density_atomic": 0.13817963893269394,
"volume": 36.18478119222366,
"volume_molar": 4.358196914187429,
"formula_full": "Li1 B1 O3",
"formula_reduced": "LiBO3",
"formula_anonymous": "ABC3",
"energy": -29.628145090000004,
"energy_per_atom": -5.925629018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.56714509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.356000Z",
"spacegroup": 221
},
{
"id": "mp-2808",
"created_at": "2022-09-04T14:42:05.126075Z",
"structure_string": "Zr1 Rh1\n1.0\n3.307679 0.000000 0.000000\n0.000000 3.307679 0.000000\n0.000000 0.000000 3.307679\nZr Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 8.907802212604166,
"density_atomic": 0.055266241148388025,
"volume": 36.1884571565138,
"volume_molar": 10.896599144187773,
"formula_full": "Zr1 Rh1",
"formula_reduced": "ZrRh",
"formula_anonymous": "AB",
"energy": -17.41397952,
"energy_per_atom": -8.70698976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.41397952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003124,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.712000Z",
"spacegroup": 221
},
{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.6664246398216287,
"density_atomic": 0.027632815972377392,
"volume": 36.188856068799886,
"volume_molar": 21.793438518969317,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.43585196,
"energy_per_atom": -1.43585196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.43585196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.768000Z",
"spacegroup": 139
},
{
"id": "mp-892",
"created_at": "2022-09-04T14:39:48.892284Z",
"structure_string": "Sc1 Pt1\n1.0\n3.308547 0.000000 0.000000\n0.000000 3.308547 0.000000\n0.000000 0.000000 3.308547\nSc Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Pt"
],
"chemical_system": "Pt-Sc",
"density": 11.005775026874286,
"density_atomic": 0.05522275512885049,
"volume": 36.21695432133778,
"volume_molar": 10.90517984107932,
"formula_full": "Sc1 Pt1",
"formula_reduced": "ScPt",
"formula_anonymous": "AB",
"energy": -14.8583683,
"energy_per_atom": -7.42918415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.8583683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001217,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.576000Z",
"spacegroup": 221
},
{
"id": "mp-610917",
"created_at": "2022-09-04T14:47:46.278138Z",
"structure_string": "O2\n1.0\n3.858081 -1.673188 0.000000\n3.858081 1.673188 0.000000\n3.132446 0.000000 2.805732\nO\n2\ndirect\n0.944954 0.944954 0.944954 O\n0.055046 0.055046 0.055046 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4668662819670022,
"density_atomic": 0.055212540652498636,
"volume": 36.22365456043346,
"volume_molar": 10.90719733022731,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.87170491,
"energy_per_atom": -4.935852455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87170491,
"band_gap": 1.2858,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994235,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.068000Z",
"spacegroup": 166
},
{
"id": "mp-10597",
"created_at": "2022-09-04T14:46:42.507441Z",
"structure_string": "Ag2\n1.0\n1.476324 -2.557068 0.000000\n1.476324 2.557068 0.000000\n0.000000 0.000000 4.798321\nAg\n2\ndirect\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.888473947036914,
"density_atomic": 0.05520605890450403,
"volume": 36.22790758274593,
"volume_molar": 10.908477945178365,
"formula_full": "Ag2",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -5.6500297,
"energy_per_atom": -2.82501485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.6500297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.24e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.726000Z",
"spacegroup": 194
},
{
"id": "mp-1245582",
"created_at": "2022-09-04T14:42:08.539528Z",
"structure_string": "Li1 Pd1 N1\n1.0\n4.254514 0.000000 0.000000\n-2.127257 2.127541 0.000000\n0.000000 0.000000 4.002887\nLi Pd N\n1 1 1\ndirect\n0.611498 0.222996 0.000000 Li\n0.110995 0.221991 0.500000 Pd\n0.610907 0.221814 0.500000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Pd",
"N"
],
"chemical_system": "Li-N-Pd",
"density": 5.837235006513973,
"density_atomic": 0.08279803483279043,
"volume": 36.23274400242061,
"volume_molar": 7.27328948345409,
"formula_full": "Li1 Pd1 N1",
"formula_reduced": "LiPdN",
"formula_anonymous": "ABC",
"energy": -15.2763147,
"energy_per_atom": -5.0921049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.9153147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.638000Z",
"spacegroup": 123
},
{
"id": "mp-974558",
"created_at": "2022-09-04T14:42:13.360169Z",
"structure_string": "Na1\n1.0\n0.000000 2.626732 2.626732\n2.626732 0.000000 2.626732\n2.626732 2.626732 0.000000\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.053189255791349,
"density_atomic": 0.027588158324862336,
"volume": 36.24743588261939,
"volume_molar": 21.828716107420878,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -1.31163779,
"energy_per_atom": -1.31163779,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.31163779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.821000Z",
"spacegroup": 225
},
{
"id": "mp-21215",
"created_at": "2022-09-04T14:42:57.308583Z",
"structure_string": "In1 Pd1\n1.0\n3.309616 0.000000 0.000000\n0.000000 3.309616 0.000000\n0.000000 0.000000 3.309616\nIn Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Pd"
],
"chemical_system": "In-Pd",
"density": 10.133885637642187,
"density_atomic": 0.05516926185981926,
"volume": 36.25207103698146,
"volume_molar": 10.915753731311076,
"formula_full": "In1 Pd1",
"formula_reduced": "InPd",
"formula_anonymous": "AB",
"energy": -8.92246151,
"energy_per_atom": -4.461230755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.92246151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.623000Z",
"spacegroup": 221
}
]
}