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=spacegroup&page=11512",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11510",
"results": [
{
"id": "mp-1004525",
"created_at": "2022-09-04T14:42:05.420924Z",
"structure_string": "Sm1 B12\n1.0\n0.000000 3.772247 3.772247\n3.772247 0.000000 3.772247\n3.772247 3.772247 0.000000\nSm B\n1 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.162789 0.500000 B\n0.500000 0.837211 0.500000 B\n0.837211 0.500000 0.500000 B\n0.500000 0.837211 0.162789 B\n0.162789 0.500000 0.837211 B\n0.837211 0.500000 0.162789 B\n0.500000 0.500000 0.837211 B\n0.162789 0.837211 0.500000 B\n0.500000 0.162789 0.837211 B\n0.500000 0.500000 0.162789 B\n0.837211 0.162789 0.500000 B\n0.162789 0.500000 0.500000 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Sm",
"B"
],
"chemical_system": "B-Sm",
"density": 4.332309160352728,
"density_atomic": 0.12109131380063298,
"volume": 107.35699854907384,
"volume_molar": 4.973222744874143,
"formula_full": "Sm1 B12",
"formula_reduced": "SmB12",
"formula_anonymous": "AB12",
"energy": -87.82943067,
"energy_per_atom": -6.756110051538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.82943067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.918000Z",
"spacegroup": 225
},
{
"id": "mp-867295",
"created_at": "2022-09-04T14:42:05.620816Z",
"structure_string": "Li1 Ce1 Tl2\n1.0\n0.000000 3.738220 3.738220\n3.738220 0.000000 3.738220\n3.738220 3.738220 0.000000\nLi Ce Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Tl"
],
"chemical_system": "Ce-Li-Tl",
"density": 8.834083796585864,
"density_atomic": 0.03828559717655752,
"volume": 104.4779315196165,
"volume_molar": 15.729520248119282,
"formula_full": "Li1 Ce1 Tl2",
"formula_reduced": "LiCeTl2",
"formula_anonymous": "ABC2",
"energy": -13.67186397,
"energy_per_atom": -3.4179659925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.67186397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9879911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.508000Z",
"spacegroup": 225
},
{
"id": "mp-989565",
"created_at": "2022-09-04T14:42:05.327381Z",
"structure_string": "Rb2 Tl1 Ga1 F6\n1.0\n0.000000 4.595313 4.595313\n4.595313 0.000000 4.595313\n4.595313 4.595313 0.000000\nRb Tl Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.789722 0.210278 0.210278 F\n0.210278 0.210278 0.789722 F\n0.210278 0.789722 0.789722 F\n0.210278 0.789722 0.210278 F\n0.789722 0.210278 0.789722 F\n0.789722 0.789722 0.210278 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ga",
"F"
],
"chemical_system": "F-Ga-Rb-Tl",
"density": 4.783113922244834,
"density_atomic": 0.05152579615083609,
"volume": 194.07754459001666,
"volume_molar": 11.687622918762568,
"formula_full": "Rb2 Tl1 Ga1 F6",
"formula_reduced": "Rb2TlGaF6",
"formula_anonymous": "ABC2D6",
"energy": -47.19607782,
"energy_per_atom": -4.719607782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.42407782,
"band_gap": 4.4038,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008221,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.365000Z",
"spacegroup": 225
},
{
"id": "mp-865913",
"created_at": "2022-09-04T14:42:05.419151Z",
"structure_string": "Li2 Ac1 Sn1\n1.0\n0.000000 3.618904 3.618904\n3.618904 0.000000 3.618904\n3.618904 3.618904 0.000000\nLi Ac Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Sn"
],
"chemical_system": "Ac-Li-Sn",
"density": 6.299381857471981,
"density_atomic": 0.04219867434180551,
"volume": 94.78970755337846,
"volume_molar": 14.27092403714201,
"formula_full": "Li2 Ac1 Sn1",
"formula_reduced": "Li2AcSn",
"formula_anonymous": "ABC2",
"energy": -13.57063272,
"energy_per_atom": -3.39265818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.57063272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.980000Z",
"spacegroup": 225
},
{
"id": "mp-1646",
"created_at": "2022-09-04T14:42:05.624326Z",
"structure_string": "Li3 Hg1\n1.0\n0.000000 3.274919 3.274919\n3.274919 0.000000 3.274919\n3.274919 3.274919 0.000000\nLi Hg\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 5.233841055431295,
"density_atomic": 0.056941421799382136,
"volume": 70.2476312251726,
"volume_molar": 10.576028082364019,
"formula_full": "Li3 Hg1",
"formula_reduced": "Li3Hg",
"formula_anonymous": "AB3",
"energy": -7.15016719,
"energy_per_atom": -1.7875417975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.15016719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032323,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.296000Z",
"spacegroup": 225
},
{
"id": "mp-1183935",
"created_at": "2022-09-04T14:42:05.629127Z",
"structure_string": "Cs1 Ca3\n1.0\n0.000000 4.659316 4.659316\n4.659316 0.000000 4.659316\n4.659316 4.659316 0.000000\nCs Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ca"
],
"chemical_system": "Ca-Cs",
"density": 2.0778416141083342,
"density_atomic": 0.019772587145228365,
"volume": 202.30028425821368,
"volume_molar": 30.457019689774373,
"formula_full": "Cs1 Ca3",
"formula_reduced": "CsCa3",
"formula_anonymous": "AB3",
"energy": -5.87196703,
"energy_per_atom": -1.4679917575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.87196703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1624617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.517000Z",
"spacegroup": 225
},
{
"id": "mp-1212020",
"created_at": "2022-09-04T14:42:05.656058Z",
"structure_string": "K8 Zr6 Mn1 Br20\n1.0\n0.000000 8.396670 8.396670\n8.396670 0.000000 8.396670\n8.396670 8.396670 0.000000\nK Zr Mn Br\n8 6 1 20\ndirect\n0.360282 0.360282 0.360282 K\n0.639718 0.639718 0.639718 K\n0.360282 0.360282 0.919153 K\n0.360282 0.919153 0.360282 K\n0.639718 0.639718 0.080847 K\n0.639718 0.080847 0.639718 K\n0.919153 0.360282 0.360282 K\n0.080847 0.639718 0.639718 K\n0.855237 0.144763 0.144763 Zr\n0.144763 0.855237 0.855237 Zr\n0.144763 0.855237 0.144763 Zr\n0.855237 0.144763 0.855237 Zr\n0.144763 0.144763 0.855237 Zr\n0.855237 0.855237 0.144763 Zr\n0.000000 0.000000 0.000000 Mn\n0.328801 0.000000 0.000000 Br\n0.671199 0.000000 0.000000 Br\n0.000000 0.328801 0.671199 Br\n0.000000 0.671199 0.328801 Br\n0.000000 0.328801 0.000000 Br\n0.671199 0.000000 0.328801 Br\n0.000000 0.671199 0.000000 Br\n0.328801 0.000000 0.671199 Br\n0.000000 0.000000 0.328801 Br\n0.000000 0.000000 0.671199 Br\n0.671199 0.328801 0.000000 Br\n0.328801 0.671199 0.000000 Br\n0.682517 0.317483 0.317483 Br\n0.317483 0.682517 0.682517 Br\n0.317483 0.682517 0.317483 Br\n0.682517 0.317483 0.682517 Br\n0.317483 0.317483 0.682517 Br\n0.682517 0.682517 0.317483 Br\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n",
"nsites": 35,
"nelements": 4,
"elements": [
"K",
"Zr",
"Mn",
"Br"
],
"chemical_system": "Br-K-Mn-Zr",
"density": 3.5246499226210326,
"density_atomic": 0.029560841519963497,
"volume": 1183.998770006708,
"volume_molar": 20.372020721849317,
"formula_full": "K8 Zr6 Mn1 Br20",
"formula_reduced": "K8Zr6MnBr20",
"formula_anonymous": "AB6C8D20",
"energy": -165.35324909000002,
"energy_per_atom": -4.724378545428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.67324908999998,
"band_gap": 0.1425,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0005591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.623000Z",
"spacegroup": 225
},
{
"id": "mp-1184227",
"created_at": "2022-09-04T14:42:05.585521Z",
"structure_string": "Er1 Mg2 Sc1\n1.0\n0.000000 3.683173 3.683173\n3.683173 0.000000 3.683173\n3.683173 3.683173 0.000000\nEr Mg Sc\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Sc"
],
"chemical_system": "Er-Mg-Sc",
"density": 4.334128830270045,
"density_atomic": 0.040027976924045076,
"volume": 99.9301065749634,
"volume_molar": 15.044829198905779,
"formula_full": "Er1 Mg2 Sc1",
"formula_reduced": "ErMg2Sc",
"formula_anonymous": "ABC2",
"energy": -14.27669253,
"energy_per_atom": -3.5691731325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.27669253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.759000Z",
"spacegroup": 225
},
{
"id": "mp-1112659",
"created_at": "2022-09-04T14:42:05.791250Z",
"structure_string": "Cs2 Na1 Bi1 I6\n1.0\n0.000000 6.257405 6.257405\n6.257405 0.000000 6.257405\n6.257405 6.257405 0.000000\nCs Na Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.753347 0.246653 0.246653 I\n0.246653 0.246653 0.753347 I\n0.246653 0.753347 0.753347 I\n0.246653 0.753347 0.246653 I\n0.753347 0.246653 0.753347 I\n0.753347 0.753347 0.246653 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Bi",
"I"
],
"chemical_system": "Bi-Cs-I-Na",
"density": 4.267109076558455,
"density_atomic": 0.020407378040916097,
"volume": 490.0188539630295,
"volume_molar": 29.509625136192476,
"formula_full": "Cs2 Na1 Bi1 I6",
"formula_reduced": "Cs2NaBiI6",
"formula_anonymous": "ABC2D6",
"energy": -29.04834997,
"energy_per_atom": -2.904834997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.77434997,
"band_gap": 2.1074,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.313000Z",
"spacegroup": 225
},
{
"id": "mp-976596",
"created_at": "2022-09-04T14:42:05.681902Z",
"structure_string": "Li1 Lu2 Ga1\n1.0\n0.000000 3.523705 3.523705\n3.523705 0.000000 3.523705\n3.523705 3.523705 0.000000\nLi Lu Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"Ga"
],
"chemical_system": "Ga-Li-Lu",
"density": 8.095418198793922,
"density_atomic": 0.04571212047037279,
"volume": 87.50414460848526,
"volume_molar": 13.174056897892333,
"formula_full": "Li1 Lu2 Ga1",
"formula_reduced": "LiLu2Ga",
"formula_anonymous": "ABC2",
"energy": -15.17961193,
"energy_per_atom": -3.7949029825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.17961193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.253000Z",
"spacegroup": 225
},
{
"id": "mp-974063",
"created_at": "2022-09-04T14:42:05.876335Z",
"structure_string": "Ho1 Sc1 Ru2\n1.0\n0.000000 3.301321 3.301321\n3.301321 0.000000 3.301321\n3.301321 3.301321 0.000000\nHo Sc Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Sc",
"Ru"
],
"chemical_system": "Ho-Ru-Sc",
"density": 9.507814610325976,
"density_atomic": 0.05558616755561768,
"volume": 71.96034869642222,
"volume_molar": 10.833883724713427,
"formula_full": "Ho1 Sc1 Ru2",
"formula_reduced": "HoScRu2",
"formula_anonymous": "ABC2",
"energy": -31.20813569,
"energy_per_atom": -7.8020339225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.20813569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.510000Z",
"spacegroup": 225
},
{
"id": "mp-1079023",
"created_at": "2022-09-04T14:42:05.726585Z",
"structure_string": "Si1 N2 F6\n1.0\n0.000000 3.802559 3.802559\n3.802559 0.000000 3.802559\n3.802559 3.802559 0.000000\nSi N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.775251 0.775251 0.224749 F\n0.224749 0.775251 0.224749 F\n0.775251 0.224749 0.224749 F\n0.224749 0.224749 0.775251 F\n0.775251 0.224749 0.775251 F\n0.224749 0.775251 0.775251 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Si",
"N",
"F"
],
"chemical_system": "F-N-Si",
"density": 2.5684331166108523,
"density_atomic": 0.08184358227238497,
"volume": 109.96586109888192,
"volume_molar": 7.358109937023057,
"formula_full": "Si1 N2 F6",
"formula_reduced": "Si(NF3)2",
"formula_anonymous": "AB2C6",
"energy": -40.72406407,
"energy_per_atom": -4.524896007777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.95206407,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001582,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.392000Z",
"spacegroup": 225
}
]
}