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_uncorrected&page=12121",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12119",
"results": [
{
"id": "mp-974966",
"created_at": "2022-09-04T14:47:56.094755Z",
"structure_string": "Rb3 Lu1\n1.0\n-3.178439 3.178439 6.554356\n3.178439 -3.178439 6.554356\n3.178439 3.178439 -6.554356\nRb Lu\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Lu"
],
"chemical_system": "Lu-Rb",
"density": 2.7044668284118396,
"density_atomic": 0.015102269350957037,
"volume": 264.86085680537263,
"volume_molar": 39.875734037403944,
"formula_full": "Rb3 Lu1",
"formula_reduced": "Rb3Lu",
"formula_anonymous": "AB3",
"energy": -4.96770509,
"energy_per_atom": -1.2419262725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.96770509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1844422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.101000Z",
"spacegroup": 139
},
{
"id": "mp-1212244",
"created_at": "2022-09-04T14:40:29.349525Z",
"structure_string": "In3 Hg1\n1.0\n2.903808 -5.107257 0.000000\n2.903808 5.107257 0.000000\n0.000000 0.000000 21.434437\nIn Hg\n3 1\ndirect\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Hg"
],
"chemical_system": "Hg-In",
"density": 1.4235835943750272,
"density_atomic": 0.006291617404771586,
"volume": 635.7665672687575,
"volume_molar": 95.71689396486165,
"formula_full": "In3 Hg1",
"formula_reduced": "In3Hg",
"formula_anonymous": "AB3",
"energy": -4.9655992,
"energy_per_atom": -1.2413998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.9655992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5571846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.395000Z",
"spacegroup": 65
},
{
"id": "mp-1684",
"created_at": "2022-09-04T14:46:24.050613Z",
"structure_string": "Zn1 Au1\n1.0\n3.194297 0.000000 0.000000\n0.000000 3.194297 0.000000\n0.000000 0.000000 3.194297\nZn Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Au"
],
"chemical_system": "Au-Zn",
"density": 13.367389726023035,
"density_atomic": 0.06136265114813929,
"volume": 32.59311588692084,
"volume_molar": 9.814016583901479,
"formula_full": "Zn1 Au1",
"formula_reduced": "ZnAu",
"formula_anonymous": "AB",
"energy": -4.96506019,
"energy_per_atom": -2.482530095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.96506019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006418,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.146000Z",
"spacegroup": 221
},
{
"id": "mp-1186188",
"created_at": "2022-09-04T14:43:17.361753Z",
"structure_string": "Na1 Tl1 Hg2\n1.0\n0.000000 3.798925 3.798925\n3.798925 0.000000 3.798925\n3.798925 3.798925 0.000000\nNa Tl Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 9.518727506151427,
"density_atomic": 0.03647941261895372,
"volume": 109.65088834576542,
"volume_molar": 16.508327101931073,
"formula_full": "Na1 Tl1 Hg2",
"formula_reduced": "NaTlHg2",
"formula_anonymous": "ABC2",
"energy": -4.964833,
"energy_per_atom": -1.24120825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.964833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.402000Z",
"spacegroup": 225
},
{
"id": "mp-974962",
"created_at": "2022-09-04T14:43:48.150262Z",
"structure_string": "Rb3 Ho1\n1.0\n0.000000 5.117385 5.117385\n5.117385 0.000000 5.117385\n5.117385 5.117385 0.000000\nRb Ho\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ho"
],
"chemical_system": "Ho-Rb",
"density": 2.6103638365484247,
"density_atomic": 0.014924016491194424,
"volume": 268.02436209850805,
"volume_molar": 40.35201089166061,
"formula_full": "Rb3 Ho1",
"formula_reduced": "Rb3Ho",
"formula_anonymous": "AB3",
"energy": -4.96094655,
"energy_per_atom": -1.2402366375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.96094655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4333103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.029000Z",
"spacegroup": 225
},
{
"id": "mp-1096362",
"created_at": "2022-09-04T14:44:15.486089Z",
"structure_string": "Sr2 Hg1 Bi1\n1.0\n-6.507911 6.826426 9.615261\n6.507911 -6.826426 9.615261\n6.507911 6.826426 -9.615261\nSr Hg Bi\n2 1 1\ndirect\n0.000000 0.269462 0.269462 Sr\n0.000000 0.730538 0.730538 Sr\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Sr",
"density": 0.5683398709065209,
"density_atomic": 0.0023410135683647783,
"volume": 1708.6616045519295,
"volume_molar": 257.24501734547937,
"formula_full": "Sr2 Hg1 Bi1",
"formula_reduced": "Sr2HgBi",
"formula_anonymous": "ABC2",
"energy": -4.95607273,
"energy_per_atom": -1.2390181825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.95607273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.115000Z",
"spacegroup": 71
},
{
"id": "mp-1186839",
"created_at": "2022-09-04T14:48:09.648597Z",
"structure_string": "Rb3 Er1\n1.0\n6.432978 0.000000 0.000000\n0.000000 6.432978 0.000000\n0.000000 0.000000 6.432978\nRb Er\n3 1\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Er"
],
"chemical_system": "Er-Rb",
"density": 2.6426084604560245,
"density_atomic": 0.015025322169664025,
"volume": 266.21725343606676,
"volume_molar": 40.07994432331469,
"formula_full": "Rb3 Er1",
"formula_reduced": "Rb3Er",
"formula_anonymous": "AB3",
"energy": -4.95022678,
"energy_per_atom": -1.237556695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.95022678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0787571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.343000Z",
"spacegroup": 221
},
{
"id": "mp-1093688",
"created_at": "2022-09-04T14:39:18.788297Z",
"structure_string": "Ca1 Cd1 Ag2\n1.0\n-5.769184 6.333548 8.951557\n5.769184 -6.333548 8.951557\n5.769184 6.333548 -8.951557\nCa Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248274 0.248274 Ag\n0.000000 0.751726 0.751726 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.4673506065253821,
"density_atomic": 0.0030573134148158595,
"volume": 1308.3382229037575,
"volume_molar": 196.9749235003671,
"formula_full": "Ca1 Cd1 Ag2",
"formula_reduced": "CaCdAg2",
"formula_anonymous": "ABC2",
"energy": -4.94939328,
"energy_per_atom": -1.23734832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.94939328,
"band_gap": 0.5796000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.043000Z",
"spacegroup": 71
},
{
"id": "mp-1185049",
"created_at": "2022-09-04T14:39:32.561313Z",
"structure_string": "K1 Pm1\n1.0\n3.710060 -0.000339 0.000000\n-1.855322 3.212823 0.000001\n0.000000 0.000002 7.238882\nK Pm\n1 1\ndirect\n0.666671 0.333332 0.750001 K\n0.333330 0.666668 0.250000 Pm\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Pm"
],
"chemical_system": "K-Pm",
"density": 3.5430930769437725,
"density_atomic": 0.023180013332562574,
"volume": 86.28122733607151,
"volume_molar": 25.979884798169127,
"formula_full": "K1 Pm1",
"formula_reduced": "KPm",
"formula_anonymous": "AB",
"energy": -4.94834385,
"energy_per_atom": -2.474171925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.94834385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033523,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.376000Z",
"spacegroup": 187
},
{
"id": "mp-1093798",
"created_at": "2022-09-04T14:40:23.624710Z",
"structure_string": "Mg1 Zr1 Zn2\n1.0\n-5.671327 5.863030 8.168669\n5.671327 -5.863030 8.168669\n5.671327 5.863030 -8.168669\nMg Zr Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.251637 0.251637 Zn\n0.000000 0.748363 0.748363 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Zn"
],
"chemical_system": "Mg-Zn-Zr",
"density": 0.3765115300544824,
"density_atomic": 0.0036816448871463915,
"volume": 1086.4708907600163,
"volume_molar": 163.57201589498504,
"formula_full": "Mg1 Zr1 Zn2",
"formula_reduced": "MgZrZn2",
"formula_anonymous": "ABC2",
"energy": -4.94451163,
"energy_per_atom": -1.2361279075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.94451163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8112164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.400000Z",
"spacegroup": 71
},
{
"id": "mp-730522",
"created_at": "2022-09-04T14:40:14.257336Z",
"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.984730 0.011799 0.016527 H\n0.490234 0.498512 0.507042 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 2.3314997790365335,
"density_atomic": 0.0347059280895231,
"volume": 57.62704270120794,
"volume_molar": 17.351908136460242,
"formula_full": "H1 Br1",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy": -5.47572459,
"energy_per_atom": -2.737862295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.94172459,
"band_gap": 2.4739000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.672000Z",
"spacegroup": 8
},
{
"id": "mp-1056579",
"created_at": "2022-09-04T14:41:14.434353Z",
"structure_string": "Si1\n1.0\n-1.676685 1.676685 1.287674\n1.676685 -1.676685 1.287674\n1.676685 1.676685 -1.287674\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.2207897928434908,
"density_atomic": 0.06906072349638641,
"volume": 14.480010480230849,
"volume_molar": 8.720066131822538,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.93955162,
"energy_per_atom": -4.93955162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93955162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.336000Z",
"spacegroup": 139
}
]
}