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=chemical_system&page=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12160",
"results": [
{
"id": "mp-1096120",
"created_at": "2022-09-04T14:45:33.603588Z",
"structure_string": "Zr1 Ti1 Tc2\n1.0\n-4.483324 5.686725 8.044539\n4.483324 -5.686725 8.044539\n4.483324 5.686725 -8.044539\nZr Ti Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.242253 0.242253 Tc\n0.000000 0.757747 0.757747 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Tc"
],
"chemical_system": "Tc-Ti-Zr",
"density": 0.6782477405088086,
"density_atomic": 0.004875694500786374,
"volume": 820.3959455119393,
"volume_molar": 123.51349657015471,
"formula_full": "Zr1 Ti1 Tc2",
"formula_reduced": "ZrTiTc2",
"formula_anonymous": "ABC2",
"energy": -23.11890011,
"energy_per_atom": -5.7797250275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.11890011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6798049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.686000Z",
"spacegroup": 71
},
{
"id": "mp-631475",
"created_at": "2022-09-04T14:41:27.789540Z",
"structure_string": "Tl1 Zn2 Tc1\n1.0\n0.000000 3.241636 3.241636\n3.241636 0.000000 3.241636\n3.241636 3.241636 0.000000\nTl Zn Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"Tc"
],
"chemical_system": "Tc-Tl-Zn",
"density": 10.55883765996999,
"density_atomic": 0.05871340337372259,
"volume": 68.12754448143974,
"volume_molar": 10.256841562509782,
"formula_full": "Tl1 Zn2 Tc1",
"formula_reduced": "TlZn2Tc",
"formula_anonymous": "ABC2",
"energy": -13.0146385,
"energy_per_atom": -3.253659625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.0146385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.949000Z",
"spacegroup": 216
},
{
"id": "mp-1093986",
"created_at": "2022-09-04T14:45:54.352919Z",
"structure_string": "Zr2 Tl1 Tc1\n1.0\n-5.296662 7.270478 10.562975\n5.296662 -7.270478 10.562975\n5.296662 7.270478 -10.562975\nZr Tl Tc\n2 1 1\ndirect\n0.000000 0.211325 0.211325 Zr\n0.000000 0.788675 0.788675 Zr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tl",
"Tc"
],
"chemical_system": "Tc-Tl-Zr",
"density": 0.4947983915758999,
"density_atomic": 0.0024583772235178742,
"volume": 1627.0895946050555,
"volume_molar": 244.96406419607453,
"formula_full": "Zr2 Tl1 Tc1",
"formula_reduced": "Zr2TlTc",
"formula_anonymous": "ABC2",
"energy": -18.07053743,
"energy_per_atom": -4.5176343575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.07053743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.975000Z",
"spacegroup": 71
},
{
"id": "mp-1102890",
"created_at": "2022-09-04T14:47:22.391452Z",
"structure_string": "Tm4 Tc8\n1.0\n2.669511 -4.623729 0.000000\n2.669511 4.623729 0.000000\n0.000000 0.000000 8.830661\nTm Tc\n4 8\ndirect\n0.333333 0.666667 0.436236 Tm\n0.666667 0.333333 0.563764 Tm\n0.666667 0.333333 0.936236 Tm\n0.333333 0.666667 0.063764 Tm\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.827713 0.172287 0.250000 Tc\n0.827713 0.655426 0.250000 Tc\n0.344574 0.172287 0.250000 Tc\n0.172287 0.827713 0.750000 Tc\n0.172287 0.344574 0.750000 Tc\n0.655426 0.827713 0.750000 Tc\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tm",
"Tc"
],
"chemical_system": "Tc-Tm",
"density": 11.119272429495815,
"density_atomic": 0.05504703744465465,
"volume": 217.99538280447936,
"volume_molar": 10.93999066898882,
"formula_full": "Tm4 Tc8",
"formula_reduced": "TmTc2",
"formula_anonymous": "AB2",
"energy": -103.76596346,
"energy_per_atom": -8.647163621666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.76596346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0538529,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.814000Z",
"spacegroup": 194
},
{
"id": "mp-865273",
"created_at": "2022-09-04T14:41:12.733451Z",
"structure_string": "Tm1 U1 Tc2\n1.0\n0.000000 3.380583 3.380583\n3.380583 0.000000 3.380583\n3.380583 3.380583 0.000000\nTm U Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 U\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"U",
"Tc"
],
"chemical_system": "Tc-Tm-U",
"density": 12.95791246239798,
"density_atomic": 0.051767260877438645,
"volume": 77.26891344454525,
"volume_molar": 11.633106828382699,
"formula_full": "Tm1 U1 Tc2",
"formula_reduced": "TmUTc2",
"formula_anonymous": "ABC2",
"energy": -36.61301742,
"energy_per_atom": -9.153254355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.61301742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8084175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.532000Z",
"spacegroup": 225
},
{
"id": "mp-865250",
"created_at": "2022-09-04T14:46:03.766228Z",
"structure_string": "Tm1 Tc2 W1\n1.0\n0.000000 3.229492 3.229492\n3.229492 0.000000 3.229492\n3.229492 3.229492 0.000000\nTm Tc W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tc",
"W"
],
"chemical_system": "Tc-Tm-W",
"density": 13.527269917705432,
"density_atomic": 0.05937824488587948,
"volume": 67.36473952181812,
"volume_molar": 10.141998591528095,
"formula_full": "Tm1 Tc2 W1",
"formula_reduced": "TmTc2W",
"formula_anonymous": "ABC2",
"energy": -38.33934374,
"energy_per_atom": -9.584835935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.33934374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.146000Z",
"spacegroup": 225
},
{
"id": "mp-865401",
"created_at": "2022-09-04T14:39:42.811843Z",
"structure_string": "Tm2 Zn1 Tc1\n1.0\n0.000000 3.440819 3.440819\n3.440819 0.000000 3.440819\n3.440819 3.440819 0.000000\nTm Zn Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Zn",
"Tc"
],
"chemical_system": "Tc-Tm-Zn",
"density": 10.21672634575186,
"density_atomic": 0.04909581938223381,
"volume": 81.47333215600574,
"volume_molar": 12.266096860742524,
"formula_full": "Tm2 Zn1 Tc1",
"formula_reduced": "Tm2ZnTc",
"formula_anonymous": "ABC2",
"energy": -21.37937714,
"energy_per_atom": -5.344844285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.37937714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.820000Z",
"spacegroup": 225
},
{
"id": "mp-1187817",
"created_at": "2022-09-04T14:42:02.399226Z",
"structure_string": "U2 Tc6\n1.0\n6.001236 0.000000 0.000000\n-3.000619 5.197224 0.000000\n0.000000 0.000000 4.252864\nU Tc\n2 6\ndirect\n0.333333 0.666666 0.750000 U\n0.666665 0.333331 0.250001 U\n0.171430 0.342861 0.250001 Tc\n0.657140 0.828569 0.250001 Tc\n0.171429 0.828569 0.250001 Tc\n0.828569 0.657139 0.750000 Tc\n0.342861 0.171430 0.750000 Tc\n0.828570 0.171430 0.750000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Tc"
],
"chemical_system": "Tc-U",
"density": 13.320504980809392,
"density_atomic": 0.06031097521857365,
"volume": 132.64584051256202,
"volume_molar": 9.985149034939488,
"formula_full": "U2 Tc6",
"formula_reduced": "UTc3",
"formula_anonymous": "AB3",
"energy": -84.44229326,
"energy_per_atom": -10.5552866575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.44229326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.525000Z",
"spacegroup": 194
},
{
"id": "mp-1206509",
"created_at": "2022-09-04T14:46:33.934234Z",
"structure_string": "U4 Tc2\n1.0\n0.000000 3.047556 0.000000\n0.271558 0.000000 4.906835\n7.534557 -1.523778 -0.406930\nU Tc\n4 2\ndirect\n0.168646 0.500218 0.337292 U\n0.831354 0.499782 0.662708 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 U\n0.324420 0.999659 0.648841 Tc\n0.675580 0.000341 0.351159 Tc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Tc"
],
"chemical_system": "Tc-U",
"density": 16.870490008332055,
"density_atomic": 0.05309384979136358,
"volume": 113.00743915872494,
"volume_molar": 11.342445092349626,
"formula_full": "U4 Tc2",
"formula_reduced": "U2Tc",
"formula_anonymous": "AB2",
"energy": -65.64998638,
"energy_per_atom": -10.941664396666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.64998638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2255988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.763000Z",
"spacegroup": 65
},
{
"id": "mp-2540",
"created_at": "2022-09-04T14:46:13.421282Z",
"structure_string": "V1 Tc1\n1.0\n3.025957 0.000000 0.000000\n0.000000 3.025957 0.000000\n0.000000 0.000000 3.025957\nV Tc\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Tc"
],
"chemical_system": "Tc-V",
"density": 8.926404522114195,
"density_atomic": 0.07218413206721991,
"volume": 27.706920381581142,
"volume_molar": 8.342748728199727,
"formula_full": "V1 Tc1",
"formula_reduced": "VTc",
"formula_anonymous": "AB",
"energy": -20.18935392,
"energy_per_atom": -10.09467696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18935392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.306000Z",
"spacegroup": 221
},
{
"id": "mp-1096530",
"created_at": "2022-09-04T14:44:15.561819Z",
"structure_string": "V1 Tc2 W1\n1.0\n-4.651855 5.363245 7.561738\n4.651855 -5.363245 7.561738\n4.651855 5.363245 -7.561738\nV Tc W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.251059 0.251059 Tc\n0.000000 0.748941 0.748941 Tc\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Tc",
"W"
],
"chemical_system": "Tc-V-W",
"density": 0.9479178878908125,
"density_atomic": 0.00530059434007552,
"volume": 754.6323569335831,
"volume_molar": 113.61255688761499,
"formula_full": "V1 Tc2 W1",
"formula_reduced": "VTc2W",
"formula_anonymous": "ABC2",
"energy": -26.21804368,
"energy_per_atom": -6.55451092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.21804368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.955000Z",
"spacegroup": 71
},
{
"id": "mp-1095739",
"created_at": "2022-09-04T14:41:36.436007Z",
"structure_string": "V2 Tc1 W1\n1.0\n-4.469869 5.187840 7.336911\n4.469869 -5.187840 7.336911\n4.469869 5.187840 -7.336911\nV Tc W\n2 1 1\ndirect\n0.000000 0.249194 0.249194 V\n0.000000 0.750806 0.750806 V\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Tc",
"W"
],
"chemical_system": "Tc-V-W",
"density": 0.93629416683113,
"density_atomic": 0.005877672453694495,
"volume": 680.5414952113813,
"volume_molar": 102.4579169295951,
"formula_full": "V2 Tc1 W1",
"formula_reduced": "V2TcW",
"formula_anonymous": "ABC2",
"energy": -24.35741673,
"energy_per_atom": -6.0893541825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.35741673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9067342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.980000Z",
"spacegroup": 71
}
]
}