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=11453",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11451",
"results": [
{
"id": "mp-510311",
"created_at": "2022-09-04T14:42:07.210366Z",
"structure_string": "Ba2 Zn2 Pb2\n1.0\n2.443388 -4.232072 0.000000\n2.443388 4.232072 0.000000\n0.000000 0.000000 9.869695\nBa Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 6.669848051910117,
"density_atomic": 0.0293949034705139,
"volume": 204.11701661203327,
"volume_molar": 20.487023425815376,
"formula_full": "Ba2 Zn2 Pb2",
"formula_reduced": "BaZnPb",
"formula_anonymous": "ABC",
"energy": -16.24832931,
"energy_per_atom": -2.7080548849999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24832931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033079,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.833000Z",
"spacegroup": 194
},
{
"id": "mp-973141",
"created_at": "2022-09-04T14:47:02.675134Z",
"structure_string": "Sc1 Cd1 Cu2\n1.0\n0.000000 3.194987 3.194987\n3.194987 0.000000 3.194987\n3.194987 3.194987 0.000000\nSc Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Sc",
"density": 7.24154710757474,
"density_atomic": 0.06132290348780705,
"volume": 65.22848352728973,
"volume_molar": 9.820377734067002,
"formula_full": "Sc1 Cd1 Cu2",
"formula_reduced": "ScCdCu2",
"formula_anonymous": "ABC2",
"energy": -16.24568537,
"energy_per_atom": -4.0614213425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24568537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.757000Z",
"spacegroup": 225
},
{
"id": "mp-1502",
"created_at": "2022-09-04T14:45:58.607079Z",
"structure_string": "Al2 Pt1\n1.0\n0.000000 2.974377 2.974377\n2.974377 0.000000 2.974377\n2.974377 2.974377 0.000000\nAl Pt\n2 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Pt"
],
"chemical_system": "Al-Pt",
"density": 7.858008758661247,
"density_atomic": 0.05700372241227537,
"volume": 52.62814204136904,
"volume_molar": 10.564469310346604,
"formula_full": "Al2 Pt1",
"formula_reduced": "Al2Pt",
"formula_anonymous": "AB2",
"energy": -16.2441613,
"energy_per_atom": -5.414720433333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.2441613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004583,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.408000Z",
"spacegroup": 225
},
{
"id": "mp-22877",
"created_at": "2022-09-04T14:41:17.459237Z",
"structure_string": "V1 Cl2\n1.0\n1.827664 -3.165607 0.000000\n1.827664 3.165607 0.000000\n0.000000 0.000000 6.085968\nV Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.781010 Cl\n0.333333 0.666667 0.218990 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"Cl"
],
"chemical_system": "Cl-V",
"density": 2.8731129866678584,
"density_atomic": 0.042599866631019466,
"volume": 70.42275568570733,
"volume_molar": 14.136524914880662,
"formula_full": "V1 Cl2",
"formula_reduced": "VCl2",
"formula_anonymous": "AB2",
"energy": -17.47035151,
"energy_per_atom": -5.8234505033333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24235151,
"band_gap": 1.2559999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0001094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.019000Z",
"spacegroup": 164
},
{
"id": "mp-1013585",
"created_at": "2022-09-04T14:41:18.549437Z",
"structure_string": "Sr3 Bi1 Sb1\n1.0\n6.163906 0.000000 0.000000\n0.000000 6.163906 0.000000\n0.000000 0.000000 6.163906\nSr Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"Sb"
],
"chemical_system": "Bi-Sb-Sr",
"density": 4.208964484504038,
"density_atomic": 0.021350201742016617,
"volume": 234.18982454672246,
"volume_molar": 28.206481759601317,
"formula_full": "Sr3 Bi1 Sb1",
"formula_reduced": "Sr3BiSb",
"formula_anonymous": "ABC3",
"energy": -16.43389131,
"energy_per_atom": -3.286778262,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24189131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.732000Z",
"spacegroup": 221
},
{
"id": "mp-1095975",
"created_at": "2022-09-04T14:42:03.371394Z",
"structure_string": "La1 Y1 Pd2\n1.0\n-5.192434 5.972995 8.301534\n5.192434 -5.972995 8.301534\n5.192434 5.972995 -8.301534\nLa Y Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.266312 0.266312 Pd\n0.000000 0.733688 0.733688 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Pd"
],
"chemical_system": "La-Pd-Y",
"density": 0.7104977294656125,
"density_atomic": 0.00388399366463348,
"volume": 1029.8677972682706,
"volume_molar": 155.05022098351674,
"formula_full": "La1 Y1 Pd2",
"formula_reduced": "LaYPd2",
"formula_anonymous": "ABC2",
"energy": -16.24184959,
"energy_per_atom": -4.0604623975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24184959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.541000Z",
"spacegroup": 71
},
{
"id": "mp-672375",
"created_at": "2022-09-04T14:40:03.332712Z",
"structure_string": "Th1 Ni1 Sn1\n1.0\n0.000000 3.508228 3.508228\n3.508228 0.000000 3.508228\n3.508228 3.508228 0.000000\nTh Ni Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Th",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Th",
"density": 7.873131180757407,
"density_atomic": 0.03473984110611397,
"volume": 86.35618081373494,
"volume_molar": 17.33496921187744,
"formula_full": "Th1 Ni1 Sn1",
"formula_reduced": "ThNiSn",
"formula_anonymous": "ABC",
"energy": -16.24139719,
"energy_per_atom": -5.413799063333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24139719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.868000Z",
"spacegroup": 216
},
{
"id": "mp-1184271",
"created_at": "2022-09-04T14:44:00.760633Z",
"structure_string": "Er1 Tm1 In2\n1.0\n0.000000 3.741943 3.741943\n3.741943 0.000000 3.741943\n3.741943 3.741943 0.000000\nEr Tm In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tm",
"In"
],
"chemical_system": "Er-In-Tm",
"density": 8.966293731922876,
"density_atomic": 0.03817143548867351,
"volume": 104.79040017205818,
"volume_molar": 15.776563503321565,
"formula_full": "Er1 Tm1 In2",
"formula_reduced": "ErTmIn2",
"formula_anonymous": "ABC2",
"energy": -16.24042928,
"energy_per_atom": -4.06010732,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24042928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.284000Z",
"spacegroup": 225
},
{
"id": "mp-977383",
"created_at": "2022-09-04T14:45:09.233147Z",
"structure_string": "Zn1 Pd2 Au1\n1.0\n0.000000 3.166886 3.166886\n3.166886 0.000000 3.166886\n3.166886 3.166886 0.000000\nZn Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Zn",
"density": 12.422599156534114,
"density_atomic": 0.06296985674015967,
"volume": 63.52245672887102,
"volume_molar": 9.563529396056762,
"formula_full": "Zn1 Pd2 Au1",
"formula_reduced": "ZnPd2Au",
"formula_anonymous": "ABC2",
"energy": -16.2401919,
"energy_per_atom": -4.060047975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.2401919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.485000Z",
"spacegroup": 225
},
{
"id": "mp-2283",
"created_at": "2022-09-04T14:46:42.719361Z",
"structure_string": "Zr1 Co1\n1.0\n3.194368 0.000000 0.000000\n0.000000 3.194368 0.000000\n0.000000 0.000000 3.194368\nZr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 7.649629559253404,
"density_atomic": 0.06135855958630631,
"volume": 32.595289287826596,
"volume_molar": 9.814671010210597,
"formula_full": "Zr1 Co1",
"formula_reduced": "ZrCo",
"formula_anonymous": "AB",
"energy": -16.23938799,
"energy_per_atom": -8.119693995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.23938799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8974058,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.274000Z",
"spacegroup": 221
},
{
"id": "mp-1093836",
"created_at": "2022-09-04T14:39:08.552209Z",
"structure_string": "Sc2 In1 Tc1\n1.0\n-5.140923 6.899033 9.484310\n5.140923 -6.899033 9.484310\n5.140923 6.899033 -9.484310\nSc In Tc\n2 1 1\ndirect\n0.000000 0.213831 0.213831 Sc\n0.000000 0.786169 0.786169 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Tc"
],
"chemical_system": "In-Sc-Tc",
"density": 0.3736020515776211,
"density_atomic": 0.0029727948358371542,
"volume": 1345.535168380895,
"volume_molar": 202.57505453800127,
"formula_full": "Sc2 In1 Tc1",
"formula_reduced": "Sc2InTc",
"formula_anonymous": "ABC2",
"energy": -16.23917371,
"energy_per_atom": -4.0597934275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.23917371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3924479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.170000Z",
"spacegroup": 71
},
{
"id": "mp-635393",
"created_at": "2022-09-04T14:47:23.479320Z",
"structure_string": "Ca2 P1 I1\n1.0\n-4.207926 0.000000 0.000000\n2.101331 3.704516 0.000000\n-0.292626 -0.534747 -7.928270\nCa P I\n2 1 1\ndirect\n0.346334 0.708571 0.682201 Ca\n0.686659 0.334242 0.315370 Ca\n0.018166 0.023606 0.499979 P\n0.948840 0.933582 0.002450 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"P",
"I"
],
"chemical_system": "Ca-I-P",
"density": 3.198236055634216,
"density_atomic": 0.03236547542858014,
"volume": 123.58848269745556,
"volume_molar": 18.606680977972548,
"formula_full": "Ca2 P1 I1",
"formula_reduced": "Ca2PI",
"formula_anonymous": "ABC2",
"energy": -16.61762512,
"energy_per_atom": -4.15440628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.23862512,
"band_gap": 1.5958999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.672000Z",
"spacegroup": 1
}
]
}