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=density&page=10378",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10376",
"results": [
{
"id": "mp-1183096",
"created_at": "2022-09-04T14:39:41.256627Z",
"structure_string": "Ac3 I1\n1.0\n-2.724877 2.724877 5.676083\n2.724877 -2.724877 5.676083\n2.724877 2.724877 -5.676083\nAc I\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"I"
],
"chemical_system": "Ac-I",
"density": 7.958048350154888,
"density_atomic": 0.023727799083017913,
"volume": 168.57863580203767,
"volume_molar": 25.38010684821616,
"formula_full": "Ac3 I1",
"formula_reduced": "Ac3I",
"formula_anonymous": "AB3",
"energy": -14.82273533,
"energy_per_atom": -3.7056838325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.44373533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.006000Z",
"spacegroup": 139
},
{
"id": "mp-1409",
"created_at": "2022-09-04T14:40:33.080965Z",
"structure_string": "Ti4 Ni12\n1.0\n2.547917 -4.413121 0.000000\n2.547917 4.413121 0.000000\n0.000000 0.000000 8.311561\nTi Ni\n4 12\ndirect\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.828295 0.656589 0.250000 Ni\n0.171705 0.828295 0.750000 Ni\n0.656589 0.828295 0.750000 Ni\n0.343411 0.171705 0.250000 Ni\n0.828295 0.171705 0.250000 Ni\n0.171705 0.343411 0.750000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 7.9581298612970945,
"density_atomic": 0.08560049552332377,
"volume": 186.91480583357654,
"volume_molar": 7.03517044286167,
"formula_full": "Ti4 Ni12",
"formula_reduced": "TiNi3",
"formula_anonymous": "AB3",
"energy": -108.66833051,
"energy_per_atom": -6.791770656875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.66833051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.775000Z",
"spacegroup": 194
},
{
"id": "mp-1106171",
"created_at": "2022-09-04T14:39:39.917830Z",
"structure_string": "Gd1 Ni12 B6\n1.0\n4.759254 2.747756 2.463679\n-4.759254 2.747756 2.463679\n0.000000 -5.495513 2.463679\nGd Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Gd\n0.868762 0.131238 0.500000 Ni\n0.131238 0.500000 0.868762 Ni\n0.500000 0.868762 0.131238 Ni\n0.868762 0.500000 0.131238 Ni\n0.500000 0.131238 0.868762 Ni\n0.131238 0.868762 0.500000 Ni\n0.812236 0.546905 0.546905 Ni\n0.546905 0.546905 0.812236 Ni\n0.546905 0.812236 0.546905 Ni\n0.187764 0.453095 0.453095 Ni\n0.453095 0.453095 0.187764 Ni\n0.453095 0.187764 0.453095 Ni\n0.333110 0.766107 0.766107 B\n0.766107 0.766107 0.333110 B\n0.766107 0.333110 0.766107 B\n0.666890 0.233893 0.233893 B\n0.233893 0.233893 0.666890 B\n0.233893 0.666890 0.233893 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Gd",
"Ni",
"B"
],
"chemical_system": "B-Gd-Ni",
"density": 7.958155522034839,
"density_atomic": 0.09828814253107311,
"volume": 193.30917759477734,
"volume_molar": 6.1270267246083545,
"formula_full": "Gd1 Ni12 B6",
"formula_reduced": "Gd(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy": -130.94059889,
"energy_per_atom": -6.891610467894736,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.94059889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1217026,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.933000Z",
"spacegroup": 166
},
{
"id": "mp-7925",
"created_at": "2022-09-04T14:47:03.568509Z",
"structure_string": "Ho1 Sb2\n1.0\n1.777347 -3.130756 0.000000\n1.777347 3.130756 0.000000\n0.000000 0.000000 7.658104\nHo Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.321690 Sb\n0.500000 0.000000 0.678310 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 7.958214405200482,
"density_atomic": 0.03520047727929727,
"volume": 85.22611714030404,
"volume_molar": 17.108122461571984,
"formula_full": "Ho1 Sb2",
"formula_reduced": "HoSb2",
"formula_anonymous": "AB2",
"energy": -13.815763710000002,
"energy_per_atom": -4.6052545700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.431763710000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.069000Z",
"spacegroup": 21
},
{
"id": "mp-1210627",
"created_at": "2022-09-04T14:41:49.121993Z",
"structure_string": "Mn3 Ga1\n1.0\n-1.885724 1.885724 3.440511\n1.885724 -1.885724 3.440511\n1.885724 1.885724 -3.440511\nMn Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 7.958322130908212,
"density_atomic": 0.08173739497980077,
"volume": 48.93720922949029,
"volume_molar": 7.367669059539042,
"formula_full": "Mn3 Ga1",
"formula_reduced": "Mn3Ga",
"formula_anonymous": "AB3",
"energy": -30.5925843,
"energy_per_atom": -7.648146075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.5925843,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0368594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.685000Z",
"spacegroup": 139
},
{
"id": "mp-16508",
"created_at": "2022-09-04T14:42:12.774150Z",
"structure_string": "Lu12 Al8\n1.0\n8.055012 0.000000 0.000000\n0.000000 8.055012 0.000000\n0.000000 0.000000 7.445947\nLu Al\n12 8\ndirect\n0.500000 0.000000 0.250000 Lu\n0.500000 0.000000 0.750000 Lu\n0.000000 0.500000 0.250000 Lu\n0.000000 0.500000 0.750000 Lu\n0.349572 0.349572 0.000000 Lu\n0.849572 0.150428 0.500000 Lu\n0.150428 0.849572 0.500000 Lu\n0.650428 0.650428 0.000000 Lu\n0.797463 0.202537 0.000000 Lu\n0.702537 0.702537 0.500000 Lu\n0.297463 0.297463 0.500000 Lu\n0.202537 0.797463 0.000000 Lu\n0.119793 0.119793 0.197588 Al\n0.619793 0.380207 0.697588 Al\n0.380207 0.619793 0.697588 Al\n0.880207 0.880207 0.197588 Al\n0.380207 0.619793 0.302412 Al\n0.619793 0.380207 0.302412 Al\n0.119793 0.119793 0.802412 Al\n0.880207 0.880207 0.802412 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Lu",
"Al"
],
"chemical_system": "Al-Lu",
"density": 7.95853927631842,
"density_atomic": 0.04139783903534716,
"volume": 483.11700480122124,
"volume_molar": 14.54699303231275,
"formula_full": "Lu12 Al8",
"formula_reduced": "Lu3Al2",
"formula_anonymous": "A2B3",
"energy": -90.75244085,
"energy_per_atom": -4.5376220425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.75244085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1481612,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.114000Z",
"spacegroup": 136
},
{
"id": "mp-1227265",
"created_at": "2022-09-04T14:47:23.366748Z",
"structure_string": "Ca2 Pt1 Au1\n1.0\n2.044218 -5.419046 0.000000\n2.044218 5.419046 0.000000\n0.000000 0.000000 4.446966\nCa Pt Au\n2 1 1\ndirect\n0.860204 0.139796 0.000000 Ca\n0.140944 0.859056 0.500000 Ca\n0.420017 0.579983 0.500000 Pt\n0.578835 0.421165 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"Au"
],
"chemical_system": "Au-Ca-Pt",
"density": 7.958610884831555,
"density_atomic": 0.040599075206077126,
"volume": 98.52441169401945,
"volume_molar": 14.83319688793938,
"formula_full": "Ca2 Pt1 Au1",
"formula_reduced": "Ca2PtAu",
"formula_anonymous": "ABC2",
"energy": -16.80650767,
"energy_per_atom": -4.2016269175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.80650767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.161000Z",
"spacegroup": 38
},
{
"id": "mp-1219218",
"created_at": "2022-09-04T14:46:14.773476Z",
"structure_string": "Sm2 V1 Fe16\n1.0\n4.822786 -4.250132 0.000000\n4.822786 4.250132 0.000000\n1.077311 0.000000 6.337372\nSm V Fe\n2 1 16\ndirect\n0.658848 0.658848 0.658848 Sm\n0.345045 0.345045 0.345045 Sm\n0.090904 0.090904 0.090904 V\n0.340116 0.340116 0.843895 Fe\n0.843895 0.340116 0.340116 Fe\n0.340116 0.843895 0.340116 Fe\n0.660299 0.660299 0.155723 Fe\n0.155723 0.660299 0.660299 Fe\n0.660299 0.155723 0.660299 Fe\n0.001072 0.001072 0.499568 Fe\n0.499568 0.001072 0.001072 Fe\n0.001072 0.499568 0.001072 Fe\n0.704343 0.294671 0.999412 Fe\n0.999412 0.704343 0.294671 Fe\n0.294671 0.999412 0.704343 Fe\n0.999412 0.294671 0.704343 Fe\n0.704343 0.999412 0.294671 Fe\n0.294671 0.704343 0.999412 Fe\n0.906190 0.906190 0.906190 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"V",
"Fe"
],
"chemical_system": "Fe-Sm-V",
"density": 7.9587002972344765,
"density_atomic": 0.0731331019606455,
"volume": 259.800274986617,
"volume_molar": 8.234493818190078,
"formula_full": "Sm2 V1 Fe16",
"formula_reduced": "Sm2VFe16",
"formula_anonymous": "AB2C16",
"energy": -154.20537527,
"energy_per_atom": -8.116072382631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.20537527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 33.2728091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.128000Z",
"spacegroup": 160
},
{
"id": "mp-1213260",
"created_at": "2022-09-04T14:41:20.310706Z",
"structure_string": "Dy8 Fe2\n1.0\n0.000000 5.280853 5.280853\n5.280853 0.000000 5.280853\n5.280853 5.280853 0.000000\nDy Fe\n8 2\ndirect\n0.384489 0.384489 0.384489 Dy\n0.384489 0.384489 0.846533 Dy\n0.384489 0.846533 0.384489 Dy\n0.865511 0.865511 0.403467 Dy\n0.865511 0.865511 0.865511 Dy\n0.846533 0.384489 0.384489 Dy\n0.865511 0.403467 0.865511 Dy\n0.403467 0.865511 0.865511 Dy\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Dy",
"Fe"
],
"chemical_system": "Dy-Fe",
"density": 7.958774590707594,
"density_atomic": 0.033951406384486474,
"volume": 294.5386087030943,
"volume_molar": 17.73752960864595,
"formula_full": "Dy8 Fe2",
"formula_reduced": "Dy4Fe",
"formula_anonymous": "AB4",
"energy": -49.58068424,
"energy_per_atom": -4.9580684239999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.58068424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.662000Z",
"spacegroup": 227
},
{
"id": "mp-13264",
"created_at": "2022-09-04T14:44:44.390993Z",
"structure_string": "Sm2 Mo2 C3\n1.0\n1.732140 5.691194 0.000000\n-1.732140 5.691194 0.000000\n0.000000 1.650071 5.594152\nSm Mo C\n2 2 3\ndirect\n0.388876 0.388876 0.823745 Sm\n0.611124 0.611124 0.176255 Sm\n0.152417 0.152417 0.617759 Mo\n0.847583 0.847583 0.382241 Mo\n0.000000 0.000000 0.500000 C\n0.275427 0.275427 0.266055 C\n0.724573 0.724573 0.733945 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sm",
"Mo",
"C"
],
"chemical_system": "C-Mo-Sm",
"density": 7.95888060270439,
"density_atomic": 0.06346691680028137,
"volume": 110.29368295970173,
"volume_molar": 9.488629767459102,
"formula_full": "Sm2 Mo2 C3",
"formula_reduced": "Sm2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy": -60.52676197,
"energy_per_atom": -8.646680281428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.52676197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.667000Z",
"spacegroup": 12
},
{
"id": "mp-1224915",
"created_at": "2022-09-04T14:42:57.656172Z",
"structure_string": "Ga2 Ni8 Ge6\n1.0\n3.817521 0.000000 0.000000\n0.000000 4.964229 0.000000\n0.000000 0.000000 11.502909\nGa Ni Ge\n2 8 6\ndirect\n0.500000 0.641844 0.814428 Ga\n0.500000 0.141844 0.185572 Ga\n0.500000 0.140911 0.795548 Ni\n0.500000 0.640911 0.204452 Ni\n0.000000 0.862464 0.701450 Ni\n0.000000 0.362464 0.298550 Ni\n0.500000 0.379127 0.995586 Ni\n0.500000 0.879127 0.004414 Ni\n0.000000 0.619534 0.505451 Ni\n0.000000 0.119534 0.494549 Ni\n0.000000 0.357444 0.687335 Ge\n0.000000 0.857444 0.312665 Ge\n0.500000 0.887226 0.573131 Ge\n0.500000 0.387226 0.426869 Ge\n0.000000 0.111450 0.928163 Ge\n0.000000 0.611450 0.071837 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"Ge"
],
"chemical_system": "Ga-Ge-Ni",
"density": 7.958938252467116,
"density_atomic": 0.07339712631347306,
"volume": 217.9921858475129,
"volume_molar": 8.204872673461265,
"formula_full": "Ga2 Ni8 Ge6",
"formula_reduced": "GaNi4Ge3",
"formula_anonymous": "AB3C4",
"energy": -84.97619941,
"energy_per_atom": -5.311012463125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.97619941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.455000Z",
"spacegroup": 26
},
{
"id": "mp-862755",
"created_at": "2022-09-04T14:48:01.478050Z",
"structure_string": "Pr1 Cd3\n1.0\n0.000000 3.681061 3.681061\n3.681061 0.000000 3.681061\n3.681061 3.681061 0.000000\nPr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.9589490842534705,
"density_atomic": 0.040096914331472173,
"volume": 99.75829977670848,
"volume_molar": 15.018963080840376,
"formula_full": "Pr1 Cd3",
"formula_reduced": "PrCd3",
"formula_anonymous": "AB3",
"energy": -8.7851391,
"energy_per_atom": -2.196284775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.7851391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.321000Z",
"spacegroup": 225
}
]
}