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=energy&page=10248",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10246",
"results": [
{
"id": "mp-19761",
"created_at": "2022-09-04T14:46:14.932089Z",
"structure_string": "La2 Ge4\n1.0\n-2.160492 2.160492 7.840547\n2.160492 -2.160492 7.840547\n2.160492 2.160492 -7.840547\nLa Ge\n2 4\ndirect\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.667876 0.167876 0.500000 Ge\n0.082124 0.082124 0.000000 Ge\n0.832124 0.332124 0.500000 Ge\n0.917876 0.917876 0.000000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ge"
],
"chemical_system": "Ge-La",
"density": 6.447172399329149,
"density_atomic": 0.04098638087249615,
"volume": 146.3900903733194,
"volume_molar": 14.693028834954172,
"formula_full": "La2 Ge4",
"formula_reduced": "LaGe2",
"formula_anonymous": "AB2",
"energy": -32.49839164,
"energy_per_atom": -5.416398606666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.49839164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004554,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.613000Z",
"spacegroup": 141
},
{
"id": "mp-1110921",
"created_at": "2022-09-04T14:46:38.397391Z",
"structure_string": "K2 Ag1 Bi1 Br6\n1.0\n0.000000 5.686657 5.686657\n5.686657 0.000000 5.686657\n5.686657 5.686657 0.000000\nK Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.748040 0.251960 0.251960 Br\n0.251960 0.251960 0.748040 Br\n0.251960 0.748040 0.748040 Br\n0.251960 0.748040 0.251960 Br\n0.748040 0.251960 0.748040 Br\n0.748040 0.748040 0.251960 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br-K",
"density": 3.948139760156324,
"density_atomic": 0.02718935484981128,
"volume": 367.79099964813656,
"volume_molar": 22.148891701421885,
"formula_full": "K2 Ag1 Bi1 Br6",
"formula_reduced": "K2AgBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.49838164,
"energy_per_atom": -3.249838164,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.29438164,
"band_gap": 1.5765,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.787000Z",
"spacegroup": 225
},
{
"id": "mp-1183880",
"created_at": "2022-09-04T14:45:40.313610Z",
"structure_string": "Eu2 As1 Au1\n1.0\n0.000000 3.741062 3.741062\n3.741062 0.000000 3.741062\n3.741062 3.741062 0.000000\nEu As Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"As",
"Au"
],
"chemical_system": "As-Au-Eu",
"density": 9.130997845777989,
"density_atomic": 0.03819840934375329,
"volume": 104.71640229841489,
"volume_molar": 15.765422863046052,
"formula_full": "Eu2 As1 Au1",
"formula_reduced": "Eu2AsAu",
"formula_anonymous": "ABC2",
"energy": -32.49818299,
"energy_per_atom": -8.1245457475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.49818299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0023971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.721000Z",
"spacegroup": 225
},
{
"id": "mp-1016353",
"created_at": "2022-09-04T14:46:39.698501Z",
"structure_string": "Sr2 Mg12 Sb2\n1.0\n5.429959 0.000000 0.000000\n0.000000 6.450936 0.000000\n0.000000 0.000000 11.953362\nSr Mg Sb\n2 12 2\ndirect\n0.500000 0.500000 0.670799 Sr\n0.500000 0.000000 0.170799 Sr\n0.500000 0.748410 0.918785 Mg\n0.500000 0.251590 0.918785 Mg\n0.000000 0.241624 0.575777 Mg\n0.000000 0.758376 0.575777 Mg\n0.000000 0.500000 0.843097 Mg\n0.000000 0.000000 0.835654 Mg\n0.500000 0.248410 0.418785 Mg\n0.500000 0.751590 0.418785 Mg\n0.000000 0.741624 0.075777 Mg\n0.000000 0.258376 0.075777 Mg\n0.000000 0.000000 0.343097 Mg\n0.000000 0.500000 0.335654 Mg\n0.500000 0.000000 0.661321 Sb\n0.500000 0.500000 0.161321 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sr",
"density": 2.817441589656105,
"density_atomic": 0.038212955360154656,
"volume": 418.70616520499465,
"volume_molar": 15.759421649651827,
"formula_full": "Sr2 Mg12 Sb2",
"formula_reduced": "SrMg6Sb",
"formula_anonymous": "ABC6",
"energy": -32.49648269,
"energy_per_atom": -2.031030168125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.11248269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.522000Z",
"spacegroup": 38
},
{
"id": "mp-1026552",
"created_at": "2022-09-04T14:39:17.547156Z",
"structure_string": "Sr1 Hf1 Mg14\n1.0\n6.547706 -0.027478 0.000000\n-3.297649 5.711696 0.000000\n0.000000 0.000000 10.446136\nSr Hf Mg\n1 1 14\ndirect\n0.164328 0.332163 0.125000 Sr\n0.189281 0.844640 0.125000 Hf\n0.167329 0.333664 0.625000 Mg\n0.164269 0.832134 0.625000 Mg\n0.665201 0.332554 0.125000 Mg\n0.667206 0.336968 0.625000 Mg\n0.665201 0.832646 0.125000 Mg\n0.667206 0.830236 0.625000 Mg\n0.333730 0.157001 0.382936 Mg\n0.333730 0.157001 0.867064 Mg\n0.333730 0.676731 0.382936 Mg\n0.333730 0.676731 0.867064 Mg\n0.820105 0.160053 0.386217 Mg\n0.820105 0.160053 0.863783 Mg\n0.837424 0.668713 0.369034 Mg\n0.837424 0.668713 0.880966 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Sr",
"density": 2.583673100415672,
"density_atomic": 0.041054765906278524,
"volume": 389.72332801812695,
"volume_molar": 14.668554617380076,
"formula_full": "Sr1 Hf1 Mg14",
"formula_reduced": "SrHfMg14",
"formula_anonymous": "ABC14",
"energy": -32.49432833,
"energy_per_atom": -2.030895520625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.49432833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.751000Z",
"spacegroup": 38
},
{
"id": "mp-1187738",
"created_at": "2022-09-04T14:42:50.214879Z",
"structure_string": "V1 Sn1 Ru2\n1.0\n0.000000 3.126728 3.126728\n3.126728 0.000000 3.126728\n3.126728 3.126728 0.000000\nV Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Sn",
"Ru"
],
"chemical_system": "Ru-Sn-V",
"density": 10.098299569253568,
"density_atomic": 0.06542740376120289,
"volume": 61.13646224751956,
"volume_molar": 9.204309530574719,
"formula_full": "V1 Sn1 Ru2",
"formula_reduced": "VSnRu2",
"formula_anonymous": "ABC2",
"energy": -32.49406478,
"energy_per_atom": -8.123516195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.49406478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9972439,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.031000Z",
"spacegroup": 225
},
{
"id": "mp-1220352",
"created_at": "2022-09-04T14:41:24.647574Z",
"structure_string": "Nd2 Si3 Ag1\n1.0\n4.098522 0.000000 0.000000\n0.000000 4.334669 0.000000\n2.049261 2.167334 7.251667\nNd Si Ag\n2 3 1\ndirect\n0.867501 0.617501 0.264998 Nd\n0.132715 0.382715 0.734569 Nd\n0.294899 0.044899 0.410202 Si\n0.456763 0.206763 0.086474 Si\n0.708947 0.958947 0.582105 Si\n0.539174 0.789174 0.921653 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Ag"
],
"chemical_system": "Ag-Nd-Si",
"density": 6.194691202700147,
"density_atomic": 0.04657256816235648,
"volume": 128.83120336167462,
"volume_molar": 12.930660682069831,
"formula_full": "Nd2 Si3 Ag1",
"formula_reduced": "Nd2Si3Ag",
"formula_anonymous": "AB2C3",
"energy": -32.49149085,
"energy_per_atom": -5.415248474999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.49149085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.285000Z",
"spacegroup": 44
},
{
"id": "mp-1018629",
"created_at": "2022-09-04T14:47:40.618868Z",
"structure_string": "Y1 Pd3 C1\n1.0\n4.299661 0.000000 0.000000\n0.000000 4.299661 0.000000\n0.000000 0.000000 4.299661\nY Pd C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pd",
"C"
],
"chemical_system": "C-Pd-Y",
"density": 8.777650030307342,
"density_atomic": 0.06290242047396082,
"volume": 79.48819715244197,
"volume_molar": 9.573782240212735,
"formula_full": "Y1 Pd3 C1",
"formula_reduced": "YPd3C",
"formula_anonymous": "ABC3",
"energy": -32.49133769,
"energy_per_atom": -6.498267538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.49133769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.796000Z",
"spacegroup": 221
},
{
"id": "mp-1185491",
"created_at": "2022-09-04T14:41:20.909787Z",
"structure_string": "Lu1 Sc1 Ir2\n1.0\n0.000000 3.296299 3.296299\n3.296299 0.000000 3.296299\n3.296299 3.296299 0.000000\nLu Sc Ir\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Lu\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Sc",
"Ir"
],
"chemical_system": "Ir-Lu-Sc",
"density": 14.009827861919556,
"density_atomic": 0.05584061587567685,
"volume": 71.63244776715163,
"volume_molar": 10.784517085928371,
"formula_full": "Lu1 Sc1 Ir2",
"formula_reduced": "LuScIr2",
"formula_anonymous": "ABC2",
"energy": -32.48952767,
"energy_per_atom": -8.1223819175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.48952767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.939000Z",
"spacegroup": 225
},
{
"id": "mp-1184342",
"created_at": "2022-09-04T14:42:59.085609Z",
"structure_string": "Eu3 Mg1\n1.0\n-2.079309 2.961154 6.016743\n2.079309 -2.961154 6.016743\n2.079309 2.961154 -6.016743\nEu Mg\n3 1\ndirect\n0.803570 0.727757 0.075813 Eu\n0.088996 0.500000 0.588996 Eu\n0.348056 0.272243 0.075813 Eu\n0.592705 0.000000 0.592705 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 5.381050399203546,
"density_atomic": 0.026993457228476292,
"volume": 148.1840568306407,
"volume_molar": 22.309631215548947,
"formula_full": "Eu3 Mg1",
"formula_reduced": "Eu3Mg",
"formula_anonymous": "AB3",
"energy": -32.48939362,
"energy_per_atom": -8.122348405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.48939362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.8915229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.810000Z",
"spacegroup": 44
},
{
"id": "mp-1206591",
"created_at": "2022-09-04T14:48:07.597996Z",
"structure_string": "Cr1 Sn1 Ru2\n1.0\n-3.120298 -3.120298 0.000000\n-3.120298 0.000000 -3.120298\n0.000000 -3.120298 -3.120298\nCr Sn Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Sn",
"Ru"
],
"chemical_system": "Cr-Ru-Sn",
"density": 10.189678658274302,
"density_atomic": 0.06583271671663107,
"volume": 60.760062769663804,
"volume_molar": 9.147641264633771,
"formula_full": "Cr1 Sn1 Ru2",
"formula_reduced": "CrSnRu2",
"formula_anonymous": "ABC2",
"energy": -32.48768661,
"energy_per_atom": -8.1219216525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.48768661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0190708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.164000Z",
"spacegroup": 225
},
{
"id": "mp-9490",
"created_at": "2022-09-04T14:42:20.181152Z",
"structure_string": "K1 Ag2 Sb1 S4\n1.0\n-3.401663 3.401663 4.619198\n3.401663 -3.401663 4.619198\n3.401663 3.401663 -4.619198\nK Ag Sb S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.449678 0.449678 0.598045 S\n0.550322 0.148367 0.000000 S\n0.148367 0.550322 0.000000 S\n0.851633 0.851633 0.401955 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-K-S-Sb",
"density": 3.9210859214592033,
"density_atomic": 0.037418023616287044,
"volume": 213.80070957349596,
"volume_molar": 16.0942245954934,
"formula_full": "K1 Ag2 Sb1 S4",
"formula_reduced": "KAg2SbS4",
"formula_anonymous": "ABC2D4",
"energy": -32.48556322,
"energy_per_atom": -4.0606954025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.47356322,
"band_gap": 0.5695999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002652,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.877000Z",
"spacegroup": 121
}
]
}