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=11526",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11524",
"results": [
{
"id": "mp-975522",
"created_at": "2022-09-04T14:42:13.522609Z",
"structure_string": "Nd1 Lu1 Tl2\n1.0\n0.000000 3.831411 3.831411\n3.831411 0.000000 3.831411\n3.831411 3.831411 0.000000\nNd Lu Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Lu",
"Tl"
],
"chemical_system": "Lu-Nd-Tl",
"density": 10.74631828918635,
"density_atomic": 0.0355593464460111,
"volume": 112.48800666438298,
"volume_molar": 16.93546524861831,
"formula_full": "Nd1 Lu1 Tl2",
"formula_reduced": "NdLuTl2",
"formula_anonymous": "ABC2",
"energy": -15.2907446,
"energy_per_atom": -3.82268615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.2907446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0640128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.734000Z",
"spacegroup": 225
},
{
"id": "mp-1184494",
"created_at": "2022-09-04T14:42:13.555957Z",
"structure_string": "Gd1 Cd1 Pt2\n1.0\n0.000000 3.422871 3.422871\n3.422871 0.000000 3.422871\n3.422871 3.422871 0.000000\nGd Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Cd",
"Pt"
],
"chemical_system": "Cd-Gd-Pt",
"density": 13.660887199550348,
"density_atomic": 0.049872185460538655,
"volume": 80.20502737272258,
"volume_molar": 12.075149112454708,
"formula_full": "Gd1 Cd1 Pt2",
"formula_reduced": "GdCdPt2",
"formula_anonymous": "ABC2",
"energy": -30.28335994,
"energy_per_atom": -7.570839985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.28335994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0840871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.848000Z",
"spacegroup": 225
},
{
"id": "mp-1113963",
"created_at": "2022-09-04T14:42:13.460262Z",
"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n0.000000 5.261122 5.261122\n5.261122 0.000000 5.261122\n5.261122 5.261122 0.000000\nRb Na Sc Cl\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 Na\n0.000000 0.000000 0.000000 Sc\n0.762582 0.237418 0.237418 Cl\n0.237418 0.237418 0.762582 Cl\n0.237418 0.762582 0.762582 Cl\n0.237418 0.762582 0.237418 Cl\n0.762582 0.237418 0.762582 Cl\n0.762582 0.762582 0.237418 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sc",
"density": 2.5747627985964803,
"density_atomic": 0.03433482878486731,
"volume": 291.249450016404,
"volume_molar": 17.539451842713696,
"formula_full": "Rb2 Na1 Sc1 Cl6",
"formula_reduced": "Rb2NaScCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.74272725,
"energy_per_atom": -4.4742727250000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.05872724999999,
"band_gap": 3.9108,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020414,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.165000Z",
"spacegroup": 225
},
{
"id": "mp-867786",
"created_at": "2022-09-04T14:42:13.468839Z",
"structure_string": "Sc1 Nb1 Os2\n1.0\n0.000000 3.202558 3.202558\n3.202558 0.000000 3.202558\n3.202558 3.202558 0.000000\nSc Nb Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Nb",
"Os"
],
"chemical_system": "Nb-Os-Sc",
"density": 13.101709864425994,
"density_atomic": 0.060889020013455364,
"volume": 65.69328918606463,
"volume_molar": 9.890355861646675,
"formula_full": "Sc1 Nb1 Os2",
"formula_reduced": "ScNbOs2",
"formula_anonymous": "ABC2",
"energy": -40.61612951,
"energy_per_atom": -10.1540323775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.61612951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.304000Z",
"spacegroup": 225
},
{
"id": "mp-1112179",
"created_at": "2022-09-04T14:42:13.724104Z",
"structure_string": "K2 Sc1 In1 F6\n1.0\n0.000000 4.626746 4.626746\n4.626746 0.000000 4.626746\n4.626746 4.626746 0.000000\nK Sc In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.219828 0.219828 0.780172 F\n0.219828 0.780172 0.780172 F\n0.780172 0.780172 0.219828 F\n0.219828 0.780172 0.219828 F\n0.780172 0.219828 0.780172 F\n0.780172 0.219828 0.219828 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"In",
"F"
],
"chemical_system": "F-In-K-Sc",
"density": 2.9504386281996706,
"density_atomic": 0.050482752924651736,
"volume": 198.08745404446438,
"volume_molar": 11.929105310457958,
"formula_full": "K2 Sc1 In1 F6",
"formula_reduced": "K2ScInF6",
"formula_anonymous": "ABC2D6",
"energy": -55.46635064,
"energy_per_atom": -5.546635064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.69435064,
"band_gap": 3.5404000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.089000Z",
"spacegroup": 225
},
{
"id": "mp-862797",
"created_at": "2022-09-04T14:43:12.076268Z",
"structure_string": "Rb1 Ac1 Te2\n1.0\n0.000000 4.163891 4.163891\n4.163891 0.000000 4.163891\n4.163891 4.163891 0.000000\nRb Ac Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Te\n0.750000 0.750000 0.750000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Ac",
"Te"
],
"chemical_system": "Ac-Rb-Te",
"density": 6.528528514202525,
"density_atomic": 0.027703327672831145,
"volume": 144.38698654684828,
"volume_molar": 21.737968922433662,
"formula_full": "Rb1 Ac1 Te2",
"formula_reduced": "RbAcTe2",
"formula_anonymous": "ABC2",
"energy": -17.21143148,
"energy_per_atom": -4.30285787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.36743148,
"band_gap": 0.9157000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.870000Z",
"spacegroup": 225
},
{
"id": "mp-1187120",
"created_at": "2022-09-04T14:42:13.599627Z",
"structure_string": "Sr3 Nb1\n1.0\n0.000000 4.290454 4.290454\n4.290454 0.000000 4.290454\n4.290454 4.290454 0.000000\nSr Nb\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Nb"
],
"chemical_system": "Nb-Sr",
"density": 3.7400228571625664,
"density_atomic": 0.02532329682105858,
"volume": 157.95731607401305,
"volume_molar": 23.781029786737932,
"formula_full": "Sr3 Nb1",
"formula_reduced": "Sr3Nb",
"formula_anonymous": "AB3",
"energy": -12.23351348,
"energy_per_atom": -3.05837837,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.23351348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0219311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.237000Z",
"spacegroup": 225
},
{
"id": "mp-1519393",
"created_at": "2022-09-04T14:42:13.610702Z",
"structure_string": "Na1 Sm1 Hf2 O6\n1.0\n-0.000000 -4.092198 -4.092198\n4.092198 0.000000 -4.092198\n4.092198 -4.092198 0.000000\nNa Sm Hf O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n-0.000000 0.000000 -0.000000 Sm\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n-0.000000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Sm",
"Hf",
"O"
],
"chemical_system": "Hf-Na-O-Sm",
"density": 7.588391751875743,
"density_atomic": 0.07296256412237116,
"volume": 137.0565867617841,
"volume_molar": 8.253740575646166,
"formula_full": "Na1 Sm1 Hf2 O6",
"formula_reduced": "NaSmHf2O6",
"formula_anonymous": "ABC2D6",
"energy": -90.6161156,
"energy_per_atom": -9.06161156,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.49411560000001,
"band_gap": 2.7992000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.763000Z",
"spacegroup": 225
},
{
"id": "mp-1205833",
"created_at": "2022-09-04T14:43:12.253464Z",
"structure_string": "Ba2 Nb1 Rh1 O6\n1.0\n0.000000 4.107406 4.107406\n4.107406 0.000000 4.107406\n4.107406 4.107406 0.000000\nBa Nb Rh O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Rh\n0.746422 0.253578 0.253578 O\n0.253578 0.746422 0.746422 O\n0.253578 0.746422 0.253578 O\n0.746422 0.253578 0.746422 O\n0.253578 0.253578 0.746422 O\n0.746422 0.746422 0.253578 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Rh",
"O"
],
"chemical_system": "Ba-Nb-O-Rh",
"density": 6.787146106307911,
"density_atomic": 0.07215511194319425,
"volume": 138.59031925378656,
"volume_molar": 8.346104105196408,
"formula_full": "Ba2 Nb1 Rh1 O6",
"formula_reduced": "Ba2NbRhO6",
"formula_anonymous": "ABC2D6",
"energy": -78.32356669,
"energy_per_atom": -7.832356669000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.20156669,
"band_gap": 0.8889,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.202000Z",
"spacegroup": 225
},
{
"id": "mp-1112498",
"created_at": "2022-09-04T14:42:13.669615Z",
"structure_string": "Cs2 Tl1 Bi1 Br6\n1.0\n0.000000 6.049027 6.049027\n6.049027 0.000000 6.049027\n6.049027 6.049027 0.000000\nCs Tl Bi Br\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 Tl\n0.000000 0.000000 0.000000 Bi\n0.762198 0.237802 0.237802 Br\n0.237802 0.237802 0.762198 Br\n0.237802 0.762198 0.762198 Br\n0.237802 0.762198 0.237802 Br\n0.762198 0.237802 0.762198 Br\n0.762198 0.762198 0.237802 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Cs-Tl",
"density": 4.346058157573892,
"density_atomic": 0.02258985458748135,
"volume": 442.67659896942024,
"volume_molar": 26.658607901519197,
"formula_full": "Cs2 Tl1 Bi1 Br6",
"formula_reduced": "Cs2TlBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.39709651,
"energy_per_atom": -3.3397096509999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.19309651,
"band_gap": 1.7359000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.223000Z",
"spacegroup": 225
},
{
"id": "mp-1110593",
"created_at": "2022-09-04T14:42:13.772447Z",
"structure_string": "Rb2 Cr1 Au1 F6\n1.0\n6.257106 0.000000 0.000000\n3.128553 5.418813 0.000000\n3.128553 1.806271 5.108906\nRb Cr Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Au\n0.219910 0.780090 0.219910 F\n0.780090 0.780090 0.219910 F\n0.780090 0.219910 0.780090 F\n0.780090 0.219910 0.219910 F\n0.219910 0.780090 0.780090 F\n0.219910 0.219910 0.780090 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cr",
"Au",
"F"
],
"chemical_system": "Au-Cr-F-Rb",
"density": 5.117928666054977,
"density_atomic": 0.05772905011564385,
"volume": 173.2230130232149,
"volume_molar": 10.431733672971133,
"formula_full": "Rb2 Cr1 Au1 F6",
"formula_reduced": "Rb2CrAuF6",
"formula_anonymous": "ABC2D6",
"energy": -51.88217602,
"energy_per_atom": -5.188217602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.11117602,
"band_gap": 1.6646,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0001637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.934000Z",
"spacegroup": 225
},
{
"id": "mp-1112721",
"created_at": "2022-09-04T14:42:13.794029Z",
"structure_string": "Cs2 K1 Pr1 Cl6\n1.0\n0.000000 5.788648 5.788648\n5.788648 0.000000 5.788648\n5.788648 5.788648 0.000000\nCs K Pr Cl\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 K\n0.000000 0.000000 0.000000 Pr\n0.762087 0.237913 0.237913 Cl\n0.237913 0.237913 0.762087 Cl\n0.237913 0.762087 0.762087 Cl\n0.237913 0.762087 0.237913 Cl\n0.762087 0.237913 0.762087 Cl\n0.762087 0.762087 0.237913 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Pr",
"Cl"
],
"chemical_system": "Cl-Cs-K-Pr",
"density": 2.8188141492315704,
"density_atomic": 0.02577736848834114,
"volume": 387.9371939972424,
"volume_molar": 23.36212388290821,
"formula_full": "Cs2 K1 Pr1 Cl6",
"formula_reduced": "Cs2KPrCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.68303230000001,
"energy_per_atom": -4.36830323,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.9990323,
"band_gap": 4.9929,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.786000Z",
"spacegroup": 225
}
]
}