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=-formula_anonymous&page=12156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12154",
"results": [
{
"id": "mp-1056059",
"created_at": "2022-09-04T14:47:21.082969Z",
"structure_string": "O1\n1.0\n1.784516 0.000000 0.000000\n0.000000 1.784516 0.000000\n0.000000 0.000000 3.089828\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.700085999486939,
"density_atomic": 0.10163067339171998,
"volume": 9.839549091106107,
"volume_molar": 5.925514964157105,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.39040623,
"energy_per_atom": -3.39040623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39040623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.913000Z",
"spacegroup": 123
},
{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 0.22762757150769555,
"density_atomic": 0.003420343522506185,
"volume": 292.3682938336179,
"volume_molar": 176.06830192270866,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.03268839,
"energy_per_atom": -1.03268839,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.03268839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.019000Z",
"spacegroup": 123
},
{
"id": "mp-1180157",
"created_at": "2022-09-04T14:47:23.274469Z",
"structure_string": "Os8\n1.0\n3.702065 0.000000 -0.501952\n0.000000 17.405600 0.000000\n4.947411 0.000000 10.595750\nOs\n8\ndirect\n0.298208 0.379138 0.794986 Os\n0.701792 0.879138 0.705014 Os\n0.701792 0.620862 0.205014 Os\n0.298208 0.120862 0.294986 Os\n0.901908 0.368738 0.683622 Os\n0.098092 0.868738 0.816378 Os\n0.098092 0.631262 0.316378 Os\n0.901908 0.131262 0.183622 Os\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 3.4809190344044407,
"density_atomic": 0.01101959964600276,
"volume": 725.9791877195751,
"volume_molar": 54.6493607159718,
"formula_full": "Os8",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -58.5905479,
"energy_per_atom": -7.3238184875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.5905479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6228361,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.263000Z",
"spacegroup": 14
},
{
"id": "mp-760482",
"created_at": "2022-09-04T14:47:29.837692Z",
"structure_string": "F4\n1.0\n2.091901 -3.540118 0.000000\n2.091901 3.540118 0.000000\n0.000000 0.000000 6.375726\nF\n4\ndirect\n0.087458 0.087458 0.096013 F\n0.412542 0.412542 0.596013 F\n0.587458 0.587458 0.403987 F\n0.912542 0.912542 0.903987 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 1.3363114295141898,
"density_atomic": 0.04235858901295609,
"volume": 94.43185179696454,
"volume_molar": 14.217047593719485,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy": -7.63205315,
"energy_per_atom": -1.9080132875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.63205315,
"band_gap": 3.0949,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.662000Z",
"spacegroup": 64
},
{
"id": "mp-8640",
"created_at": "2022-09-04T14:47:28.745801Z",
"structure_string": "Hf1\n1.0\n0.000000 2.240735 2.240735\n2.240735 0.000000 2.240735\n2.240735 2.240735 0.000000\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.172296499762645,
"density_atomic": 0.044442503042993506,
"volume": 22.500982877418128,
"volume_molar": 13.55040861261618,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -9.88478064,
"energy_per_atom": -9.88478064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.88478064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.047000Z",
"spacegroup": 225
},
{
"id": "mp-1055956",
"created_at": "2022-09-04T14:47:29.168069Z",
"structure_string": "Mg1\n1.0\n1.527549 -2.645793 0.000000\n1.527549 2.645793 0.000000\n0.000000 0.000000 3.159751\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.5801956208360088,
"density_atomic": 0.03915309796461064,
"volume": 25.540763106507466,
"volume_molar": 15.381007054520284,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.36376991,
"energy_per_atom": -1.36376991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.36376991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.337000Z",
"spacegroup": 191
},
{
"id": "mp-1060567",
"created_at": "2022-09-04T14:47:22.338461Z",
"structure_string": "Ir2\n1.0\n2.280203 0.000000 0.000000\n0.000000 7.194537 0.000000\n0.000000 0.000000 12.242584\nIr\n2\ndirect\n0.000000 0.163992 0.250000 Ir\n0.000000 0.836008 0.750000 Ir\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 3.1784942655438524,
"density_atomic": 0.009958193020686377,
"volume": 200.8396499089097,
"volume_molar": 60.47423209702877,
"formula_full": "Ir2",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy": -10.11504374,
"energy_per_atom": -5.05752187,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.11504374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3407752,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.202000Z",
"spacegroup": 51
},
{
"id": "mp-1064933",
"created_at": "2022-09-04T14:48:13.778842Z",
"structure_string": "S4\n1.0\n5.852053 0.000000 0.000000\n0.000000 5.852053 0.000000\n0.000000 0.000000 2.988537\nS\n4\ndirect\n0.385579 0.385579 0.500000 S\n0.614421 0.614421 0.500000 S\n0.114421 0.885579 0.000000 S\n0.885579 0.114421 0.000000 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.0809670063796375,
"density_atomic": 0.03908272644211678,
"volume": 102.34700503620633,
"volume_molar": 15.408701767311584,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.14713943,
"energy_per_atom": -3.7867848575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14713943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.55e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.258000Z",
"spacegroup": 136
},
{
"id": "mp-10173",
"created_at": "2022-09-04T14:48:14.019809Z",
"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5708714829216157,
"density_atomic": 0.049529872168447765,
"volume": 40.379672154172624,
"volume_molar": 12.158603477753998,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -3.81279734,
"energy_per_atom": -1.90639867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81279734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
},
{
"id": "mp-567332",
"created_at": "2022-09-04T14:48:16.425589Z",
"structure_string": "Ce2\n1.0\n1.662110 2.885654 0.000000\n-1.662110 2.885654 0.000000\n0.000000 1.927672 5.439661\nCe\n2\ndirect\n0.744639 0.744639 0.249505 Ce\n0.255361 0.255361 0.750495 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.917866649861772,
"density_atomic": 0.03832870497511805,
"volume": 52.18021327092438,
"volume_molar": 15.711829460216334,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -11.86617831,
"energy_per_atom": -5.933089155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.86617831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011839,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:08.209000Z",
"spacegroup": 12
},
{
"id": "mp-568363",
"created_at": "2022-09-04T14:48:14.909600Z",
"structure_string": "C4\n1.0\n1.233371 -2.138533 0.000000\n1.233371 2.138533 0.000000\n0.000000 0.000000 8.149903\nC\n4\ndirect\n0.583259 0.416741 0.234124 C\n0.416741 0.583259 0.765876 C\n0.916741 0.083259 0.234124 C\n0.083259 0.916741 0.765876 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8556039302537173,
"density_atomic": 0.09303960690599922,
"volume": 42.992443036021456,
"volume_molar": 6.472663589480074,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.88164632,
"energy_per_atom": -9.22041158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.88164632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:35.324000Z",
"spacegroup": 67
},
{
"id": "mp-579909",
"created_at": "2022-09-04T14:48:14.376274Z",
"structure_string": "C8\n1.0\n2.457578 -2.744372 0.000000\n2.457578 2.744372 0.000000\n0.000000 0.000000 6.265439\nC\n8\ndirect\n0.500000 0.000000 0.108975 C\n0.125593 0.874407 0.804944 C\n0.125593 0.874407 0.195056 C\n0.000000 0.500000 0.891025 C\n0.000000 0.500000 0.108975 C\n0.500000 0.000000 0.891025 C\n0.874407 0.125593 0.804944 C\n0.874407 0.125593 0.195056 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8878853303336278,
"density_atomic": 0.09465818979690714,
"volume": 84.51461006347485,
"volume_molar": 6.361985975984476,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -66.26931423,
"energy_per_atom": -8.28366427875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.26931423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.219000Z",
"spacegroup": 65
}
]
}