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_per_atom&page=59",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=57",
"results": [
{
"id": "mp-973622",
"created_at": "2022-09-04T14:41:01.191531Z",
"structure_string": "K3 Sr1\n1.0\n0.000000 5.165856 5.165856\n5.165856 0.000000 5.165856\n5.165856 5.165856 0.000000\nK Sr\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sr"
],
"chemical_system": "K-Sr",
"density": 1.2341437624173681,
"density_atomic": 0.014507851713900342,
"volume": 275.71277118634305,
"volume_molar": 41.50952793534575,
"formula_full": "K3 Sr1",
"formula_reduced": "K3Sr",
"formula_anonymous": "AB3",
"energy": -4.55105778,
"energy_per_atom": -1.137764445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55105778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.614000Z",
"spacegroup": 225
},
{
"id": "mp-1184919",
"created_at": "2022-09-04T14:48:17.956136Z",
"structure_string": "K6 Na2\n1.0\n4.521842 -7.832060 0.000000\n4.521842 7.832060 0.000000\n0.000000 0.000000 7.097241\nK Na\n6 2\ndirect\n0.828309 0.171691 0.750000 K\n0.343382 0.171691 0.750000 K\n0.828309 0.656618 0.750000 K\n0.171691 0.828309 0.250000 K\n0.656618 0.828309 0.250000 K\n0.171691 0.343382 0.250000 K\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Na"
],
"chemical_system": "K-Na",
"density": 0.9267836598550847,
"density_atomic": 0.01591398884650536,
"volume": 502.70237569990286,
"volume_molar": 37.84180583564023,
"formula_full": "K6 Na2",
"formula_reduced": "K3Na",
"formula_anonymous": "AB3",
"energy": -9.10727023,
"energy_per_atom": -1.13840877875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.10727023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0123383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.208000Z",
"spacegroup": 194
},
{
"id": "mp-1096623",
"created_at": "2022-09-04T14:43:09.630418Z",
"structure_string": "Ba1 Ca1 In2\n1.0\n-6.551808 6.671395 9.956290\n6.551808 -6.671395 9.956290\n6.551808 6.671395 -9.956290\nBa Ca In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243411 0.243411 In\n0.000000 0.756589 0.756589 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"In"
],
"chemical_system": "Ba-Ca-In",
"density": 0.3882861570947227,
"density_atomic": 0.0022978657127827066,
"volume": 1740.7457614901332,
"volume_molar": 262.0754000766742,
"formula_full": "Ba1 Ca1 In2",
"formula_reduced": "BaCaIn2",
"formula_anonymous": "ABC2",
"energy": -4.55423677,
"energy_per_atom": -1.1385591925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55423677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8405212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.747000Z",
"spacegroup": 71
},
{
"id": "mp-1097224",
"created_at": "2022-09-04T14:47:15.872699Z",
"structure_string": "Cd2 In1 Bi1\n1.0\n-5.902989 6.078707 8.572806\n5.902989 -6.078707 8.572806\n5.902989 6.078707 -8.572806\nCd In Bi\n2 1 1\ndirect\n0.000000 0.253310 0.253310 Cd\n0.000000 0.746690 0.746690 Cd\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"In",
"Bi"
],
"chemical_system": "Bi-Cd-In",
"density": 0.7403803405416477,
"density_atomic": 0.0032508267124003115,
"volume": 1230.456235868236,
"volume_molar": 185.24951628545693,
"formula_full": "Cd2 In1 Bi1",
"formula_reduced": "Cd2InBi",
"formula_anonymous": "ABC2",
"energy": -4.55966401,
"energy_per_atom": -1.1399160025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55966401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3603273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.661000Z",
"spacegroup": 71
},
{
"id": "mp-1093956",
"created_at": "2022-09-04T14:47:06.927009Z",
"structure_string": "Tl1 In2 Hg1\n1.0\n-5.973035 6.166997 8.718019\n5.973035 -6.166997 8.718019\n5.973035 6.166997 -8.718019\nTl In Hg\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.253245 0.253245 In\n0.000000 0.746755 0.746755 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"In",
"Hg"
],
"chemical_system": "Hg-In-Tl",
"density": 0.8203684135488111,
"density_atomic": 0.0031139625991337466,
"volume": 1284.536943736169,
"volume_molar": 193.39155716498524,
"formula_full": "Tl1 In2 Hg1",
"formula_reduced": "TlIn2Hg",
"formula_anonymous": "ABC2",
"energy": -4.56012863,
"energy_per_atom": -1.1400321575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.56012863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7550308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.584000Z",
"spacegroup": 71
},
{
"id": "mp-1039056",
"created_at": "2022-09-04T14:47:08.519272Z",
"structure_string": "Mg2 Cd4\n1.0\n1.558158 -2.698809 0.000000\n1.558158 2.698809 0.000000\n0.000000 0.000000 16.126172\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.584470 Mg\n0.333333 0.666667 0.415530 Mg\n0.666667 0.333333 0.916476 Cd\n0.333333 0.666667 0.748552 Cd\n0.666667 0.333333 0.251448 Cd\n0.333333 0.666667 0.083524 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.1003529734261255,
"density_atomic": 0.04423910411679856,
"volume": 135.62661631119397,
"volume_molar": 13.612709570475369,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -6.84255171,
"energy_per_atom": -1.140425285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.84255171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.551000Z",
"spacegroup": 164
},
{
"id": "mp-1184019",
"created_at": "2022-09-04T14:43:11.644658Z",
"structure_string": "Cs1 Yb3\n1.0\n-2.975678 2.975678 5.830868\n2.975678 -2.975678 5.830868\n2.975678 2.975678 -5.830868\nCs Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Yb"
],
"chemical_system": "Cs-Yb",
"density": 5.242622375708762,
"density_atomic": 0.01936845245347657,
"volume": 206.5214043098221,
"volume_molar": 31.09252416766548,
"formula_full": "Cs1 Yb3",
"formula_reduced": "CsYb3",
"formula_anonymous": "AB3",
"energy": -4.56206119,
"energy_per_atom": -1.1405152975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.56206119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1683057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.847000Z",
"spacegroup": 139
},
{
"id": "mp-1021376",
"created_at": "2022-09-04T14:39:16.117057Z",
"structure_string": "Cs2 K2 Mg12\n1.0\n5.464772 0.000000 0.000000\n0.000000 7.837913 0.000000\n0.000000 0.000000 12.354110\nCs K Mg\n2 2 12\ndirect\n0.500000 0.500000 0.172545 Cs\n0.500000 0.000000 0.672545 Cs\n0.000000 0.500000 0.336578 K\n0.000000 0.000000 0.836578 K\n0.000000 0.797487 0.079248 Mg\n0.000000 0.202513 0.079248 Mg\n0.000000 0.500000 0.831406 Mg\n0.500000 0.701816 0.918452 Mg\n0.500000 0.298184 0.918452 Mg\n0.500000 0.500000 0.664071 Mg\n0.000000 0.297487 0.579248 Mg\n0.000000 0.702513 0.579248 Mg\n0.000000 0.000000 0.331406 Mg\n0.500000 0.201816 0.418452 Mg\n0.500000 0.798184 0.418452 Mg\n0.500000 0.000000 0.164071 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"K",
"Mg"
],
"chemical_system": "Cs-K-Mg",
"density": 1.9947807020933315,
"density_atomic": 0.030236814323655985,
"volume": 529.156273830153,
"volume_molar": 19.91658478151429,
"formula_full": "Cs2 K2 Mg12",
"formula_reduced": "CsKMg6",
"formula_anonymous": "ABC6",
"energy": -18.27993275,
"energy_per_atom": -1.142495796875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.27993275,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.463000Z",
"spacegroup": 38
},
{
"id": "mp-1184651",
"created_at": "2022-09-04T14:47:05.366188Z",
"structure_string": "Hg3 Sb1\n1.0\n0.000000 3.759896 3.759896\n3.759896 0.000000 3.759896\n3.759896 3.759896 0.000000\nHg Sb\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Sb"
],
"chemical_system": "Hg-Sb",
"density": 11.301813798574079,
"density_atomic": 0.03762725170309115,
"volume": 106.3059303816067,
"volume_molar": 16.0047319095199,
"formula_full": "Hg3 Sb1",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
"energy": -4.5711322800000005,
"energy_per_atom": -1.1427830700000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.37913228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.596000Z",
"spacegroup": 225
},
{
"id": "mp-1097225",
"created_at": "2022-09-04T14:47:07.659335Z",
"structure_string": "Mg2 Ga1 Pb1\n1.0\n-5.625234 6.224710 8.778309\n5.625234 -6.224710 8.778309\n5.625234 6.224710 -8.778309\nMg Ga Pb\n2 1 1\ndirect\n0.000000 0.247753 0.247753 Mg\n0.000000 0.752247 0.752247 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Pb"
],
"chemical_system": "Ga-Mg-Pb",
"density": 0.43965654871067694,
"density_atomic": 0.003253339751492441,
"volume": 1229.50577115871,
"volume_molar": 185.10642047875254,
"formula_full": "Mg2 Ga1 Pb1",
"formula_reduced": "Mg2GaPb",
"formula_anonymous": "ABC2",
"energy": -4.57327781,
"energy_per_atom": -1.1433194525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.57327781,
"band_gap": 0.1391,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9999707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.531000Z",
"spacegroup": 71
},
{
"id": "mp-1094771",
"created_at": "2022-09-04T14:44:04.279989Z",
"structure_string": "Mg1 Cd3\n1.0\n-2.274842 2.274842 4.278637\n2.274842 -2.274842 4.278637\n2.274842 2.274842 -4.278637\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.7785240144791645,
"density_atomic": 0.04516396702348384,
"volume": 88.56617927119038,
"volume_molar": 13.333949953662566,
"formula_full": "Mg1 Cd3",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy": -4.57475189,
"energy_per_atom": -1.1436879725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.57475189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.781000Z",
"spacegroup": 139
},
{
"id": "mp-1184685",
"created_at": "2022-09-04T14:45:55.477349Z",
"structure_string": "Hg6 P2\n1.0\n2.990716 -5.180072 0.000000\n2.990716 5.180072 0.000000\n0.000000 0.000000 6.053852\nHg P\n6 2\ndirect\n0.831516 0.168484 0.750000 Hg\n0.336968 0.168484 0.750000 Hg\n0.831516 0.663032 0.750000 Hg\n0.168484 0.831516 0.250000 Hg\n0.663032 0.831516 0.250000 Hg\n0.168484 0.336968 0.250000 Hg\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"P"
],
"chemical_system": "Hg-P",
"density": 11.20299649069458,
"density_atomic": 0.042649821855731615,
"volume": 187.574054284705,
"volume_molar": 14.119966972829683,
"formula_full": "Hg6 P2",
"formula_reduced": "Hg3P",
"formula_anonymous": "AB3",
"energy": -9.14978412,
"energy_per_atom": -1.143723015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.14978412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.472000Z",
"spacegroup": 194
}
]
}