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=10275",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10273",
"results": [
{
"id": "mp-15798",
"created_at": "2022-09-04T14:41:28.330520Z",
"structure_string": "Mo6 C6\n1.0\n1.536785 -2.661790 0.000000\n1.536785 2.661790 0.000000\n0.000000 0.000000 15.420373\nMo C\n6 6\ndirect\n0.333333 0.666667 0.423832 Mo\n0.666667 0.333333 0.923832 Mo\n0.666667 0.333333 0.576168 Mo\n0.333333 0.666667 0.076168 Mo\n0.000000 0.000000 0.750000 Mo\n0.000000 0.000000 0.250000 Mo\n0.333333 0.666667 0.833540 C\n0.666667 0.333333 0.333540 C\n0.666667 0.333333 0.166460 C\n0.333333 0.666667 0.666460 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"C"
],
"chemical_system": "C-Mo",
"density": 8.52538565919869,
"density_atomic": 0.09511948044935749,
"volume": 126.15712305523908,
"volume_molar": 6.3311329409607575,
"formula_full": "Mo6 C6",
"formula_reduced": "MoC",
"formula_anonymous": "AB",
"energy": -118.39868429,
"energy_per_atom": -9.866557024166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.39868429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002512,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.904000Z",
"spacegroup": 194
},
{
"id": "mp-1183063",
"created_at": "2022-09-04T14:39:29.010994Z",
"structure_string": "Ac2 Cd1 Ge1\n1.0\n0.000000 3.980658 3.980658\n3.980658 0.000000 3.980658\n3.980658 3.980658 0.000000\nAc Cd Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Ge"
],
"chemical_system": "Ac-Cd-Ge",
"density": 8.41182096739983,
"density_atomic": 0.03170774785180349,
"volume": 126.1521322389501,
"volume_molar": 18.992647437927285,
"formula_full": "Ac2 Cd1 Ge1",
"formula_reduced": "Ac2CdGe",
"formula_anonymous": "ABC2",
"energy": -15.37135124,
"energy_per_atom": -3.84283781,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.37135124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.712000Z",
"spacegroup": 225
},
{
"id": "mp-1025168",
"created_at": "2022-09-04T14:40:55.892037Z",
"structure_string": "Ru1 F6\n1.0\n-3.159420 3.159420 3.159420\n3.159420 -3.159420 3.159420\n3.159421 3.159420 -3.159420\nRu F\n1 6\ndirect\n0.000000 0.000000 0.000000 Ru\n0.000000 0.294062 0.294062 F\n0.000000 0.705938 0.705938 F\n0.294062 0.000000 0.294062 F\n0.705938 0.000000 0.705938 F\n0.294062 0.294062 0.000000 F\n0.705938 0.705938 0.000000 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ru",
"F"
],
"chemical_system": "F-Ru",
"density": 2.830918955006563,
"density_atomic": 0.055490148989559805,
"volume": 126.14851694337702,
"volume_molar": 10.85263036711802,
"formula_full": "Ru1 F6",
"formula_reduced": "RuF6",
"formula_anonymous": "AB6",
"energy": -34.06296499,
"energy_per_atom": -4.866137855714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.29096499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0036712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.024000Z",
"spacegroup": 229
},
{
"id": "mp-10341",
"created_at": "2022-09-04T14:43:54.295240Z",
"structure_string": "Sr1 Ge1 Te1 O6\n1.0\n2.574614 -4.459362 0.000000\n2.574614 4.459362 0.000000\n0.000000 0.000000 5.493720\nSr Ge Te O\n1 1 1 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.000000 0.000000 0.500000 Ge\n0.666667 0.333333 0.500000 Te\n0.715906 0.045543 0.699434 O\n0.954457 0.670363 0.699434 O\n0.329637 0.284094 0.699434 O\n0.715906 0.670363 0.300566 O\n0.329637 0.045543 0.300566 O\n0.954457 0.284094 0.300566 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Ge",
"Te",
"O"
],
"chemical_system": "Ge-O-Sr-Te",
"density": 5.052851231200532,
"density_atomic": 0.071344604981785,
"volume": 126.14829113284445,
"volume_molar": 8.44091962039388,
"formula_full": "Sr1 Ge1 Te1 O6",
"formula_reduced": "SrGeTeO6",
"formula_anonymous": "ABCD6",
"energy": -59.60530242,
"energy_per_atom": -6.62281138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.48330242,
"band_gap": 2.9532,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.594000Z",
"spacegroup": 149
},
{
"id": "mp-1186300",
"created_at": "2022-09-04T14:48:07.122692Z",
"structure_string": "Nd1 Er3\n1.0\n5.015107 0.000000 0.000000\n0.000000 5.015107 0.000000\n0.000000 0.000000 5.015107\nNd Er\n1 3\ndirect\n0.500000 0.500000 0.500000 Nd\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Er"
],
"chemical_system": "Er-Nd",
"density": 8.504597776591773,
"density_atomic": 0.03171168955434303,
"volume": 126.13645176947647,
"volume_molar": 18.99028668806846,
"formula_full": "Nd1 Er3",
"formula_reduced": "NdEr3",
"formula_anonymous": "AB3",
"energy": -18.36967832,
"energy_per_atom": -4.59241958,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.36967832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0294891,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.355000Z",
"spacegroup": 221
},
{
"id": "mp-5364",
"created_at": "2022-09-04T14:43:10.309286Z",
"structure_string": "Yb2 B2 O6\n1.0\n5.925220 -2.517607 0.000000\n5.925220 2.517607 0.000000\n4.855496 0.000000 4.227379\nYb B O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 B\n0.250000 0.521717 0.978283 O\n0.478283 0.021717 0.750000 O\n0.021717 0.750000 0.478283 O\n0.750000 0.478283 0.021717 O\n0.521717 0.978283 0.250000 O\n0.978283 0.250000 0.521717 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"B",
"O"
],
"chemical_system": "B-O-Yb",
"density": 6.105076299194531,
"density_atomic": 0.07928780611922483,
"volume": 126.12279856707136,
"volume_molar": 7.595292460160302,
"formula_full": "Yb2 B2 O6",
"formula_reduced": "YbBO3",
"formula_anonymous": "ABC3",
"energy": -75.62026181,
"energy_per_atom": -7.562026181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.49826181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9985048,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.710000Z",
"spacegroup": 167
},
{
"id": "mp-1095128",
"created_at": "2022-09-04T14:46:32.254188Z",
"structure_string": "Ti3 P3 Os3\n1.0\n3.131481 -5.423884 0.000000\n3.131481 5.423884 0.000000\n0.000000 0.000000 3.712587\nTi P Os\n3 3 3\ndirect\n0.414604 0.414604 0.500000 Ti\n0.585396 0.000000 0.500000 Ti\n0.000000 0.585396 0.500000 Ti\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.500000 P\n0.747118 0.747118 0.000000 Os\n0.252882 0.000000 0.000000 Os\n0.000000 0.252882 0.000000 Os\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"P",
"Os"
],
"chemical_system": "Os-P-Ti",
"density": 10.628452887729777,
"density_atomic": 0.07136342748349929,
"volume": 126.11501881802114,
"volume_molar": 8.438693280801912,
"formula_full": "Ti3 P3 Os3",
"formula_reduced": "TiPOs",
"formula_anonymous": "ABC",
"energy": -81.09051291,
"energy_per_atom": -9.01005699,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.09051291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.215000Z",
"spacegroup": 189
},
{
"id": "mp-1186563",
"created_at": "2022-09-04T14:45:39.358937Z",
"structure_string": "Pm1 Er3\n1.0\n-2.508086 2.508086 5.012110\n2.508086 -2.508086 5.012110\n2.508086 2.508086 -5.012110\nPm Er\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750000 0.250000 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Er"
],
"chemical_system": "Er-Pm",
"density": 8.516050574815807,
"density_atomic": 0.03171717936694883,
"volume": 126.1146192642917,
"volume_molar": 18.986999727584305,
"formula_full": "Pm1 Er3",
"formula_reduced": "PmEr3",
"formula_anonymous": "AB3",
"energy": -18.34164397,
"energy_per_atom": -4.5854109925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.34164397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.178000Z",
"spacegroup": 139
},
{
"id": "mp-973455",
"created_at": "2022-09-04T14:48:08.269273Z",
"structure_string": "Li2 Mg4\n1.0\n1.709939 5.470209 0.000000\n-1.709939 5.470209 0.000000\n0.000000 2.337415 6.741216\nLi Mg\n2 4\ndirect\n0.169228 0.169228 0.435524 Li\n0.830772 0.830772 0.564476 Li\n0.487465 0.487465 0.737241 Mg\n0.170319 0.170319 0.894632 Mg\n0.829681 0.829681 0.105368 Mg\n0.512535 0.512535 0.262759 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4629119866582043,
"density_atomic": 0.047577155620194676,
"volume": 126.1109438297995,
"volume_molar": 12.657630918658436,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy": -10.45740269,
"energy_per_atom": -1.7429004483333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.45740269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.277000Z",
"spacegroup": 12
},
{
"id": "mp-1226762",
"created_at": "2022-09-04T14:43:52.738238Z",
"structure_string": "Ce2 Th1 O6\n1.0\n1.953445 -3.383465 0.000000\n1.953445 3.383465 0.000000\n0.000000 0.000000 9.540123\nCe Th O\n2 1 6\ndirect\n0.333333 0.666667 0.662826 Ce\n0.666667 0.333333 0.337174 Ce\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.255327 O\n0.333333 0.666667 0.912770 O\n0.666667 0.333333 0.582115 O\n0.666667 0.333333 0.087230 O\n0.000000 0.000000 0.744673 O\n0.333333 0.666667 0.417885 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 8.009328775439712,
"density_atomic": 0.07136670788314763,
"volume": 126.1092218900746,
"volume_molar": 8.438305392845583,
"formula_full": "Ce2 Th1 O6",
"formula_reduced": "Ce2ThO6",
"formula_anonymous": "AB2C6",
"energy": -85.58975268,
"energy_per_atom": -9.50997252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.46775267999999,
"band_gap": 2.0196,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.205000Z",
"spacegroup": 164
},
{
"id": "mp-21020",
"created_at": "2022-09-04T14:39:10.845233Z",
"structure_string": "Sr2 U1 O4\n1.0\n-2.209393 2.209393 6.458548\n2.209393 -2.209393 6.458548\n2.209393 2.209393 -6.458548\nSr U O\n2 1 4\ndirect\n0.352172 0.352172 0.000000 Sr\n0.647828 0.647828 0.000000 Sr\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.169916 0.169916 0.000000 O\n0.830084 0.830084 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"U",
"O"
],
"chemical_system": "O-Sr-U",
"density": 6.284478255870758,
"density_atomic": 0.05550820834079527,
"volume": 126.10747507869772,
"volume_molar": 10.849099511601567,
"formula_full": "Sr2 U1 O4",
"formula_reduced": "Sr2UO4",
"formula_anonymous": "AB2C4",
"energy": -57.31981913,
"energy_per_atom": -8.18854559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.57181913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9105715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.810000Z",
"spacegroup": 139
},
{
"id": "mp-4156",
"created_at": "2022-09-04T14:42:38.916378Z",
"structure_string": "Li4 Zr2 O6\n1.0\n4.572593 2.725589 0.000000\n-4.572593 2.725589 0.000000\n0.000000 2.057271 5.059142\nLi Zr O\n4 2 6\ndirect\n0.741728 0.258272 0.250000 Li\n0.258272 0.741728 0.750000 Li\n0.424052 0.575948 0.250000 Li\n0.575948 0.424052 0.750000 Li\n0.090947 0.909053 0.250000 Zr\n0.909053 0.090947 0.750000 Zr\n0.500000 0.000000 0.000000 O\n0.154625 0.306354 0.987215 O\n0.306354 0.154625 0.487215 O\n0.845375 0.693646 0.012785 O\n0.693646 0.845375 0.512785 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Zr",
"O"
],
"chemical_system": "Li-O-Zr",
"density": 4.032147565131905,
"density_atomic": 0.09515934981812516,
"volume": 126.10426640088644,
"volume_molar": 6.32848035585564,
"formula_full": "Li4 Zr2 O6",
"formula_reduced": "Li2ZrO3",
"formula_anonymous": "AB2C3",
"energy": -90.90130371,
"energy_per_atom": -7.575108642499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.77930371,
"band_gap": 3.6433,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.433000Z",
"spacegroup": 15
}
]
}