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=12105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12103",
"results": [
{
"id": "mp-1183227",
"created_at": "2022-09-04T14:42:00.987350Z",
"structure_string": "Ag1 Au1\n1.0\n1.468806 -2.544046 0.000000\n1.468806 2.544046 0.000000\n0.000000 0.000000 4.828324\nAg Au\n1 1\ndirect\n0.333333 0.666667 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 14.028065961543124,
"density_atomic": 0.05542608418147444,
"volume": 36.0840934288567,
"volume_molar": 10.865174491278305,
"formula_full": "Ag1 Au1",
"formula_reduced": "AgAu",
"formula_anonymous": "AB",
"energy": -6.17619639,
"energy_per_atom": -3.088098195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17619639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.950000Z",
"spacegroup": 187
},
{
"id": "mp-1018649",
"created_at": "2022-09-04T14:41:26.098572Z",
"structure_string": "B1 C5\n1.0\n1.275776 -2.209708 0.000000\n1.275776 2.209708 0.000000\n0.000000 0.000000 6.399657\nB C\n1 5\ndirect\n0.333333 0.666667 0.007586 B\n0.333333 0.666667 0.259511 C\n0.666667 0.333333 0.339033 C\n0.000000 0.000000 0.664563 C\n0.666667 0.333333 0.581364 C\n0.000000 0.000000 0.898942 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2612329021534134,
"density_atomic": 0.16628582939015887,
"volume": 36.08244925021309,
"volume_molar": 3.6215598058389946,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.27068012,
"energy_per_atom": -8.545113353333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.27068012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.621000Z",
"spacegroup": 156
},
{
"id": "mp-1014219",
"created_at": "2022-09-04T14:39:30.230839Z",
"structure_string": "Hf1 Zn1\n1.0\n3.303560 0.000000 0.000000\n0.000000 3.303560 0.000000\n0.000000 0.000000 3.303560\nHf Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Zn"
],
"chemical_system": "Hf-Zn",
"density": 11.23343353979691,
"density_atomic": 0.05547322294731853,
"volume": 36.05343071375802,
"volume_molar": 10.855941731957902,
"formula_full": "Hf1 Zn1",
"formula_reduced": "HfZn",
"formula_anonymous": "AB",
"energy": -11.61533778,
"energy_per_atom": -5.80766889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.61533778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38Z",
"spacegroup": 221
},
{
"id": "mp-1215257",
"created_at": "2022-09-04T14:40:00.744917Z",
"structure_string": "Zr1 Rh1\n1.0\n3.384336 0.000000 0.000000\n0.000000 3.384336 0.000000\n0.000000 0.000000 3.145621\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": 8.947202991947536,
"density_atomic": 0.05551069347463569,
"volume": 36.02909412244783,
"volume_molar": 10.848613813033475,
"formula_full": "Zr1 Rh1",
"formula_reduced": "ZrRh",
"formula_anonymous": "AB",
"energy": -17.40272455,
"energy_per_atom": -8.701362275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.40272455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.994000Z",
"spacegroup": 123
},
{
"id": "mp-1017541",
"created_at": "2022-09-04T14:46:59.109232Z",
"structure_string": "Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.064275235468594,
"density_atomic": 0.05551413128133359,
"volume": 36.026862959710805,
"volume_molar": 10.847941994230434,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.96595299,
"energy_per_atom": -9.482976495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.96595299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.082000Z",
"spacegroup": 123
},
{
"id": "mp-1229092",
"created_at": "2022-09-04T14:40:56.520613Z",
"structure_string": "Ag1 Au1\n1.0\n4.864328 -1.473069 0.000000\n4.864328 1.473069 0.000000\n4.418238 0.000000 2.512130\nAg Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 14.06033119330126,
"density_atomic": 0.055553566862013855,
"volume": 36.00128871954665,
"volume_molar": 10.840241410525506,
"formula_full": "Ag1 Au1",
"formula_reduced": "AgAu",
"formula_anonymous": "AB",
"energy": -6.1898896,
"energy_per_atom": -3.0949448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.1898896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.014000Z",
"spacegroup": 166
},
{
"id": "mp-1245584",
"created_at": "2022-09-04T14:43:54.259036Z",
"structure_string": "Li1 Pd1 N1\n1.0\n0.000000 -2.168170 -2.167996\n0.000000 -2.168170 2.167996\n-3.828942 0.000000 0.000000\nLi Pd N\n1 1 1\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Pd",
"N"
],
"chemical_system": "Li-N-Pd",
"density": 5.875540346376463,
"density_atomic": 0.08334137544879731,
"volume": 35.99652614136563,
"volume_molar": 7.2258715764774495,
"formula_full": "Li1 Pd1 N1",
"formula_reduced": "LiPdN",
"formula_anonymous": "ABC",
"energy": -15.64502608,
"energy_per_atom": -5.215008693333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.28402608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.699000Z",
"spacegroup": 123
},
{
"id": "mp-1222393",
"created_at": "2022-09-04T14:39:47.971377Z",
"structure_string": "Li1 V1 O2\n1.0\n3.029525 0.000000 0.000000\n0.000000 3.029525 0.000000\n0.000000 0.000000 3.917998\nLi V O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.150545234170942,
"density_atomic": 0.11123634232954964,
"volume": 35.9594707649553,
"volume_molar": 5.413824865041643,
"formula_full": "Li1 V1 O2",
"formula_reduced": "LiVO2",
"formula_anonymous": "ABC2",
"energy": -30.2871985,
"energy_per_atom": -7.571799625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.2131985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.266000Z",
"spacegroup": 123
},
{
"id": "mp-1064161",
"created_at": "2022-09-04T14:45:28.311859Z",
"structure_string": "Na1 N3\n1.0\n3.299653 0.000000 0.000000\n0.000000 3.299653 0.000000\n0.000000 0.000000 3.299653\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 3.0048554021038747,
"density_atomic": 0.11134101576627203,
"volume": 35.925664702007325,
"volume_molar": 5.408735243301289,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy": -16.44561956,
"energy_per_atom": -4.11140489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.36261956,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034478,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.657000Z",
"spacegroup": 221
},
{
"id": "mp-1100413",
"created_at": "2022-09-04T14:46:59.825505Z",
"structure_string": "Ti1 Cu1 B1\n1.0\n0.000000 2.618363 2.618363\n2.618363 0.000000 2.618363\n2.618363 2.618363 0.000000\nTi Cu B\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"B"
],
"chemical_system": "B-Cu-Ti",
"density": 5.653091676006329,
"density_atomic": 0.08356062757034431,
"volume": 35.90207598039511,
"volume_molar": 7.206911837671812,
"formula_full": "Ti1 Cu1 B1",
"formula_reduced": "TiCuB",
"formula_anonymous": "ABC",
"energy": -19.3037954,
"energy_per_atom": -6.4345984666666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.3037954,
"band_gap": 0.1793000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.663000Z",
"spacegroup": 216
},
{
"id": "mp-1072543",
"created_at": "2022-09-04T14:44:16.915265Z",
"structure_string": "Zr1 N2\n1.0\n-1.755346 1.755346 2.912718\n1.755346 -1.755346 2.912718\n1.755346 1.755346 -2.912718\nZr N\n1 2\ndirect\n0.500000 0.500000 0.000000 Zr\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 5.515408652971665,
"density_atomic": 0.08356748956769168,
"volume": 35.89912794460491,
"volume_molar": 7.2063200547886765,
"formula_full": "Zr1 N2",
"formula_reduced": "ZrN2",
"formula_anonymous": "AB2",
"energy": -26.632692910000003,
"energy_per_atom": -8.877564303333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.91069291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.550000Z",
"spacegroup": 139
},
{
"id": "mp-1007761",
"created_at": "2022-09-04T14:45:05.039413Z",
"structure_string": "H2 W2\n1.0\n1.474479 -2.553873 0.000000\n1.474479 2.553873 0.000000\n0.000000 0.000000 4.765204\nH W\n2 2\ndirect\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.666667 0.333333 0.250000 W\n0.333333 0.666667 0.750000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"W"
],
"chemical_system": "H-W",
"density": 17.105836889719654,
"density_atomic": 0.11145783675283773,
"volume": 35.88801035920123,
"volume_molar": 5.4030662494862,
"formula_full": "H2 W2",
"formula_reduced": "HW",
"formula_anonymous": "AB",
"energy": -32.07061362,
"energy_per_atom": -8.017653405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.07061362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.182000Z",
"spacegroup": 194
}
]
}