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=10367",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10365",
"results": [
{
"id": "mp-1185043",
"created_at": "2022-09-04T14:46:00.380274Z",
"structure_string": "In6 Pd2\n1.0\n3.271793 -5.666912 0.000000\n3.271793 5.666912 0.000000\n0.000000 0.000000 4.860166\nIn Pd\n6 2\ndirect\n0.825359 0.174641 0.750000 In\n0.349282 0.174641 0.750000 In\n0.825359 0.650718 0.750000 In\n0.174641 0.825359 0.250000 In\n0.650718 0.825359 0.250000 In\n0.174641 0.349282 0.250000 In\n0.666667 0.333333 0.250000 Pd\n0.333333 0.666667 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Pd"
],
"chemical_system": "In-Pd",
"density": 8.308466996738536,
"density_atomic": 0.04438912669301389,
"volume": 180.22431608817993,
"volume_molar": 13.566702498221902,
"formula_full": "In6 Pd2",
"formula_reduced": "In3Pd",
"formula_anonymous": "AB3",
"energy": -27.52321024,
"energy_per_atom": -3.44040128,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.52321024,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.261000Z",
"spacegroup": 194
},
{
"id": "mp-9954",
"created_at": "2022-09-04T14:46:00.455152Z",
"structure_string": "Hf4 As4\n1.0\n1.900345 -3.291495 0.000000\n1.900345 3.291495 0.000000\n0.000000 0.000000 12.805168\nHf As\n4 4\ndirect\n0.333333 0.666667 0.383313 Hf\n0.666667 0.333333 0.883313 Hf\n0.666667 0.333333 0.616687 Hf\n0.333333 0.666667 0.116687 Hf\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.750000 As\n0.000000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"As"
],
"chemical_system": "As-Hf",
"density": 10.507385138519636,
"density_atomic": 0.04994005984379918,
"volume": 160.19203871645584,
"volume_molar": 12.058737572273337,
"formula_full": "Hf4 As4",
"formula_reduced": "HfAs",
"formula_anonymous": "AB",
"energy": -66.44556859,
"energy_per_atom": -8.30569607375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.44556859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055078,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.526000Z",
"spacegroup": 194
},
{
"id": "mp-1186197",
"created_at": "2022-09-04T14:46:00.774620Z",
"structure_string": "Na2 Tl6\n1.0\n7.322730 0.000000 0.000000\n-3.661366 6.341671 0.000000\n0.000000 0.000000 5.235658\nNa Tl\n2 6\ndirect\n0.333334 0.666669 0.750001 Na\n0.666667 0.333333 0.250001 Na\n0.164162 0.328323 0.250001 Tl\n0.671676 0.835837 0.250001 Tl\n0.164162 0.835837 0.250001 Tl\n0.835838 0.671678 0.750001 Tl\n0.328323 0.164162 0.750001 Tl\n0.835838 0.164162 0.750001 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 8.689275617312243,
"density_atomic": 0.03290349174243446,
"volume": 243.13528979304908,
"volume_molar": 18.30243673571416,
"formula_full": "Na2 Tl6",
"formula_reduced": "NaTl3",
"formula_anonymous": "AB3",
"energy": -17.33846134,
"energy_per_atom": -2.1673076675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.33846134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025154,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.301000Z",
"spacegroup": 194
},
{
"id": "mp-1187673",
"created_at": "2022-09-04T14:46:01.777155Z",
"structure_string": "Tm2 Os6\n1.0\n2.885031 -4.997021 0.000000\n2.885031 4.997021 0.000000\n0.000000 0.000000 4.597193\nTm Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.161648 0.323296 0.250000 Os\n0.676704 0.838352 0.250000 Os\n0.161648 0.838352 0.250000 Os\n0.838352 0.676704 0.750000 Os\n0.323296 0.161648 0.750000 Os\n0.838352 0.161648 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Os"
],
"chemical_system": "Os-Tm",
"density": 18.53129716952057,
"density_atomic": 0.060353935714899526,
"volume": 132.55142196178346,
"volume_molar": 9.97804151240019,
"formula_full": "Tm2 Os6",
"formula_reduced": "TmOs3",
"formula_anonymous": "AB3",
"energy": -73.84384278,
"energy_per_atom": -9.2304803475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.84384278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.507000Z",
"spacegroup": 194
},
{
"id": "mp-1077814",
"created_at": "2022-09-04T14:46:01.107791Z",
"structure_string": "Cs4 S2\n1.0\n-2.923653 -5.063622 -0.000011\n-2.923658 5.063626 0.000004\n-0.000010 -0.000012 -8.223496\nCs S\n4 2\ndirect\n0.000000 0.999998 0.500000 Cs\n0.000001 0.000001 0.000001 Cs\n0.333341 0.666659 0.749989 Cs\n0.666660 0.333342 0.250012 Cs\n0.666681 0.333320 0.749987 S\n0.333318 0.666680 0.250011 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
"S"
],
"chemical_system": "Cs-S",
"density": 4.06293933572594,
"density_atomic": 0.02464206631896552,
"volume": 243.48607467962862,
"volume_molar": 24.438456913676585,
"formula_full": "Cs4 S2",
"formula_reduced": "Cs2S",
"formula_anonymous": "AB2",
"energy": -18.21437627,
"energy_per_atom": -3.035729378333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.20837627,
"band_gap": 2.1458000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.02e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.619000Z",
"spacegroup": 194
},
{
"id": "mp-1184681",
"created_at": "2022-09-04T14:46:01.254034Z",
"structure_string": "Hf6 Sc2\n1.0\n3.215860 -5.570034 0.000000\n3.215860 5.570034 0.000000\n0.000000 0.000000 5.074278\nHf Sc\n6 2\ndirect\n0.166960 0.333920 0.250000 Hf\n0.666080 0.833040 0.250000 Hf\n0.166960 0.833040 0.250000 Hf\n0.833040 0.666080 0.750000 Hf\n0.333920 0.166960 0.750000 Hf\n0.833040 0.166960 0.750000 Hf\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Sc"
],
"chemical_system": "Hf-Sc",
"density": 10.603925139724966,
"density_atomic": 0.04400791108856937,
"volume": 181.78549724615132,
"volume_molar": 13.684223156786448,
"formula_full": "Hf6 Sc2",
"formula_reduced": "Hf3Sc",
"formula_anonymous": "AB3",
"energy": -72.44263989,
"energy_per_atom": -9.05532998625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.44263989,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.924000Z",
"spacegroup": 194
},
{
"id": "mp-1018755",
"created_at": "2022-09-04T14:46:01.683043Z",
"structure_string": "La2 Tl2 Zn2\n1.0\n2.424250 -4.198924 0.000000\n2.424250 4.198924 0.000000\n0.000000 0.000000 7.853852\nLa Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.250000 Tl\n0.666667 0.333333 0.750000 Tl\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Tl",
"Zn"
],
"chemical_system": "La-Tl-Zn",
"density": 8.48893550737726,
"density_atomic": 0.037525209309794666,
"volume": 159.8925125364699,
"volume_molar": 16.048253616078107,
"formula_full": "La2 Tl2 Zn2",
"formula_reduced": "LaTlZn",
"formula_anonymous": "ABC",
"energy": -19.29469355,
"energy_per_atom": -3.2157822583333338,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.29469355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.232000Z",
"spacegroup": 194
},
{
"id": "mp-1087488",
"created_at": "2022-09-04T14:46:01.580385Z",
"structure_string": "In2 Mo2 S4\n1.0\n1.601966 -2.774686 0.000000\n1.601966 2.774686 0.000000\n0.000000 0.000000 18.457437\nIn Mo S\n2 2 4\ndirect\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.250000 Mo\n0.000000 0.000000 0.750000 Mo\n0.333333 0.666667 0.335263 S\n0.666667 0.333333 0.664737 S\n0.666667 0.333333 0.835263 S\n0.333333 0.666667 0.164737 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Mo",
"S"
],
"chemical_system": "In-Mo-S",
"density": 5.563733853515824,
"density_atomic": 0.048755258037642,
"volume": 164.08486637120282,
"volume_molar": 12.351777023414673,
"formula_full": "In2 Mo2 S4",
"formula_reduced": "InMoS2",
"formula_anonymous": "ABC2",
"energy": -50.22317531,
"energy_per_atom": -6.27789691375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.21117531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0168082,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.807000Z",
"spacegroup": 194
},
{
"id": "mp-864733",
"created_at": "2022-09-04T14:46:01.654845Z",
"structure_string": "Mo2 I6\n1.0\n5.459379 -9.455921 0.000000\n5.459379 9.455921 0.000000\n0.000000 0.000000 3.719433\nMo I\n2 6\ndirect\n0.666667 0.333333 0.250000 Mo\n0.333333 0.666667 0.750000 Mo\n0.779503 0.220497 0.750000 I\n0.440994 0.220497 0.750000 I\n0.779503 0.559006 0.750000 I\n0.220497 0.779503 0.250000 I\n0.559006 0.779503 0.250000 I\n0.220497 0.440994 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"I"
],
"chemical_system": "I-Mo",
"density": 4.122189775589498,
"density_atomic": 0.020832249643707827,
"volume": 384.01997560625045,
"volume_molar": 28.90777934690758,
"formula_full": "Mo2 I6",
"formula_reduced": "MoI3",
"formula_anonymous": "AB3",
"energy": -32.90503906,
"energy_per_atom": -4.1131298825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.63103906,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3685826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.261000Z",
"spacegroup": 194
},
{
"id": "mp-1187689",
"created_at": "2022-09-04T14:46:02.561888Z",
"structure_string": "Yb2 U6\n1.0\n6.337009 0.000000 0.000000\n-3.168506 5.488011 0.000000\n0.000000 0.000000 5.301649\nYb U\n2 6\ndirect\n0.333334 0.666668 0.750000 Yb\n0.666667 0.333333 0.249999 Yb\n0.146197 0.292395 0.249999 U\n0.707607 0.853803 0.249999 U\n0.146196 0.853803 0.249999 U\n0.853804 0.707605 0.750000 U\n0.292394 0.146197 0.750000 U\n0.853803 0.146197 0.750000 U\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"U"
],
"chemical_system": "U-Yb",
"density": 15.979180025637822,
"density_atomic": 0.04338900773603159,
"volume": 184.37849624656315,
"volume_molar": 13.879415718924186,
"formula_full": "Yb2 U6",
"formula_reduced": "YbU3",
"formula_anonymous": "AB3",
"energy": -65.69152761,
"energy_per_atom": -8.21144095125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.69152761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3537039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.368000Z",
"spacegroup": 194
},
{
"id": "mp-1183907",
"created_at": "2022-09-04T14:46:02.382794Z",
"structure_string": "Cs6 Si2\n1.0\n4.768459 -8.259214 0.000000\n4.768459 8.259214 0.000000\n0.000000 0.000000 5.930425\nCs Si\n6 2\ndirect\n0.191160 0.382321 0.250000 Cs\n0.617679 0.808840 0.250000 Cs\n0.191160 0.808840 0.250000 Cs\n0.808840 0.617679 0.750000 Cs\n0.382321 0.191160 0.750000 Cs\n0.808840 0.191160 0.750000 Cs\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cs",
"Si"
],
"chemical_system": "Cs-Si",
"density": 3.034399839433146,
"density_atomic": 0.017126057647085118,
"volume": 467.1244348731719,
"volume_molar": 35.16361374052118,
"formula_full": "Cs6 Si2",
"formula_reduced": "Cs3Si",
"formula_anonymous": "AB3",
"energy": -12.94342556,
"energy_per_atom": -1.617928195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.08542556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0516174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.924000Z",
"spacegroup": 194
},
{
"id": "mp-11019",
"created_at": "2022-09-04T14:46:02.795067Z",
"structure_string": "Ga2 Cu2 O4\n1.0\n1.506702 -2.609684 0.000000\n1.506702 2.609684 0.000000\n0.000000 0.000000 11.547924\nGa Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.411862 O\n0.666667 0.333333 0.911862 O\n0.333333 0.666667 0.088138 O\n0.666667 0.333333 0.588138 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"O"
],
"chemical_system": "Cu-Ga-O",
"density": 6.043912088734914,
"density_atomic": 0.08809287556803053,
"volume": 90.8132462292246,
"volume_molar": 6.836126895811622,
"formula_full": "Ga2 Cu2 O4",
"formula_reduced": "GaCuO2",
"formula_anonymous": "ABC2",
"energy": -47.44658964,
"energy_per_atom": -5.930823705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.69858964,
"band_gap": 0.7812999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.984000Z",
"spacegroup": 194
}
]
}