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=98",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=96",
"results": [
{
"id": "mp-1216865",
"created_at": "2022-09-04T14:40:58.937451Z",
"structure_string": "Ti1 Cr1 N2\n1.0\n-2.125118 -2.125118 0.000000\n0.000000 2.125118 -2.125118\n2.017982 -2.017982 -4.143101\nTi Cr N\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.251909 0.503819 0.244272 N\n0.748091 0.496181 0.755728 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"N"
],
"chemical_system": "Cr-N-Ti",
"density": 5.748705744615164,
"density_atomic": 0.10829046836238682,
"volume": 36.9376923056078,
"volume_molar": 5.5610995603484765,
"formula_full": "Ti1 Cr1 N2",
"formula_reduced": "TiCrN2",
"formula_anonymous": "ABC2",
"energy": -39.26103538,
"energy_per_atom": -9.815258845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.53903538,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0278289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.438000Z",
"spacegroup": 166
},
{
"id": "mp-2486",
"created_at": "2022-09-04T14:44:46.222598Z",
"structure_string": "U1 C2\n1.0\n-1.759644 1.759644 2.982791\n1.759644 -1.759644 2.982791\n1.759644 1.759644 -2.982791\nU C\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.615657 0.615657 0.000000 C\n0.384343 0.384343 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"C"
],
"chemical_system": "C-U",
"density": 11.778807763454116,
"density_atomic": 0.08120612987752006,
"volume": 36.943023938276326,
"volume_molar": 7.4158696752116535,
"formula_full": "U1 C2",
"formula_reduced": "UC2",
"formula_anonymous": "AB2",
"energy": -30.08207453,
"energy_per_atom": -10.027358176666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.08207453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0277154,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.134000Z",
"spacegroup": 139
},
{
"id": "mp-1094782",
"created_at": "2022-09-04T14:40:09.356173Z",
"structure_string": "Mg1 Zn1\n1.0\n1.531854 -2.653249 0.000000\n1.531854 2.653249 0.000000\n0.000000 0.000000 4.545164\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.032128647314675,
"density_atomic": 0.05413212271205993,
"volume": 36.94663907119286,
"volume_molar": 11.124893054781953,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -2.88577975,
"energy_per_atom": -1.442889875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.88577975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.290000Z",
"spacegroup": 187
},
{
"id": "mp-2222",
"created_at": "2022-09-04T14:41:35.564370Z",
"structure_string": "Mn1 Hg1\n1.0\n3.331149 0.000000 0.000000\n0.000000 3.331149 0.000000\n0.000000 0.000000 3.331149\nMn Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Hg"
],
"chemical_system": "Hg-Mn",
"density": 11.479037992128607,
"density_atomic": 0.054106297883565406,
"volume": 36.9642736286249,
"volume_molar": 11.130202944136755,
"formula_full": "Mn1 Hg1",
"formula_reduced": "MnHg",
"formula_anonymous": "AB",
"energy": -8.80022612,
"energy_per_atom": -4.40011306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.80022612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9152484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.426000Z",
"spacegroup": 221
},
{
"id": "mp-965",
"created_at": "2022-09-04T14:43:08.412235Z",
"structure_string": "Tb1 B2\n1.0\n1.654459 -2.865607 0.000000\n1.654459 2.865607 0.000000\n0.000000 0.000000 3.898448\nTb B\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"B"
],
"chemical_system": "B-Tb",
"density": 8.110466522060191,
"density_atomic": 0.08115716632007004,
"volume": 36.965312319660235,
"volume_molar": 7.420343800878536,
"formula_full": "Tb1 B2",
"formula_reduced": "TbB2",
"formula_anonymous": "AB2",
"energy": -19.57428466,
"energy_per_atom": -6.524761553333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.57428466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012643,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.039000Z",
"spacegroup": 191
},
{
"id": "mp-714944",
"created_at": "2022-09-04T14:41:28.267885Z",
"structure_string": "V1 O2\n1.0\n1.533597 2.512075 0.000000\n-1.533597 2.512075 0.000000\n0.000000 1.552908 4.803229\nV O\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.738329 0.738329 0.798920 O\n0.261671 0.261671 0.201080 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.7214103336961926,
"density_atomic": 0.08106140270645906,
"volume": 37.00898207823582,
"volume_molar": 7.429109981981782,
"formula_full": "V1 O2",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy": -26.00626346,
"energy_per_atom": -8.668754486666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.93226346,
"band_gap": 1.1093,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.628000Z",
"spacegroup": 12
},
{
"id": "mp-1215",
"created_at": "2022-09-04T14:43:09.598062Z",
"structure_string": "Ti2 O1\n1.0\n1.491402 -2.583185 0.000000\n1.491402 2.583185 0.000000\n0.000000 0.000000 4.803530\nTi O\n2 1\ndirect\n0.333333 0.666667 0.733044 Ti\n0.666667 0.333333 0.266956 Ti\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.012926967079617,
"density_atomic": 0.08105513255423855,
"volume": 37.01184496851611,
"volume_molar": 7.4296846729233925,
"formula_full": "Ti2 O1",
"formula_reduced": "Ti2O",
"formula_anonymous": "AB2",
"energy": -26.84555336,
"energy_per_atom": -8.948517786666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.15855336,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006439,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.234000Z",
"spacegroup": 164
},
{
"id": "mp-11495",
"created_at": "2022-09-04T14:48:05.824109Z",
"structure_string": "Lu1 Ru1\n1.0\n3.332703 0.000000 0.000000\n0.000000 3.332703 0.000000\n0.000000 0.000000 3.332703\nLu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Ru"
],
"chemical_system": "Lu-Ru",
"density": 12.383019561505579,
"density_atomic": 0.054030645789506955,
"volume": 37.01602989887659,
"volume_molar": 11.145787121370168,
"formula_full": "Lu1 Ru1",
"formula_reduced": "LuRu",
"formula_anonymous": "AB",
"energy": -14.73301107,
"energy_per_atom": -7.366505535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73301107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.461000Z",
"spacegroup": 221
},
{
"id": "mp-1224858",
"created_at": "2022-09-04T14:40:12.408825Z",
"structure_string": "Ga1 Ni2\n1.0\n1.352721 -2.342982 0.000000\n1.352721 2.342982 0.000000\n0.000000 0.000000 5.839605\nGa Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.668695 Ni\n0.333333 0.666667 0.331305 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 8.39372971175109,
"density_atomic": 0.08104581669644403,
"volume": 37.01609931622329,
"volume_molar": 7.430538682281213,
"formula_full": "Ga1 Ni2",
"formula_reduced": "GaNi2",
"formula_anonymous": "AB2",
"energy": -14.897916080000002,
"energy_per_atom": -4.965972026666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.897916080000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0221637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.276000Z",
"spacegroup": 164
},
{
"id": "mp-1213965",
"created_at": "2022-09-04T14:46:03.359732Z",
"structure_string": "Ca1 C1\n1.0\n0.000000 2.645466 2.645466\n2.645466 0.000000 2.645466\n2.645466 2.645466 0.000000\nCa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.335909794490607,
"density_atomic": 0.054012396508058086,
"volume": 37.028536582368105,
"volume_molar": 11.149552971791504,
"formula_full": "Ca1 C1",
"formula_reduced": "CaC",
"formula_anonymous": "AB",
"energy": -8.96196847,
"energy_per_atom": -4.480984235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.96196847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9690761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.425000Z",
"spacegroup": 225
},
{
"id": "mp-156",
"created_at": "2022-09-04T14:46:08.447826Z",
"structure_string": "La1\n1.0\n0.000000 2.645517 2.645517\n2.645517 0.000000 2.645517\n2.645517 2.645517 0.000000\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.228834332771718,
"density_atomic": 0.027004636416143247,
"volume": 37.0306781617028,
"volume_molar": 22.300395632803234,
"formula_full": "La1",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -4.93534111,
"energy_per_atom": -4.93534111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93534111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.414000Z",
"spacegroup": 225
},
{
"id": "mp-974920",
"created_at": "2022-09-04T14:40:05.491017Z",
"structure_string": "Na1\n1.0\n-1.835922 1.835922 2.748327\n1.835922 -1.835922 2.748327\n1.835922 1.835922 -2.748327\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0302600564047593,
"density_atomic": 0.026987530869292384,
"volume": 37.05414937154716,
"volume_molar": 22.314530325752255,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -1.31001461,
"energy_per_atom": -1.31001461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.31001461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.212000Z",
"spacegroup": 139
}
]
}