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=formula_full&page=11495",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=11493",
"results": [
{
"id": "mp-1096795",
"created_at": "2022-09-04T14:43:54.839792Z",
"structure_string": "Y1 Ag1 S2\n1.0\n7.092914 -1.997331 0.000000\n7.092914 1.997331 0.000000\n6.530475 0.000000 3.413452\nY Ag S\n1 1 2\ndirect\n0.999561 0.999561 0.999561 Y\n0.148789 0.148789 0.148789 Ag\n0.266162 0.266162 0.266162 S\n0.744488 0.744488 0.744488 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"S"
],
"chemical_system": "Ag-S-Y",
"density": 4.479519026095199,
"density_atomic": 0.041358183779156864,
"volume": 96.71604588245641,
"volume_molar": 14.560941051369275,
"formula_full": "Y1 Ag1 S2",
"formula_reduced": "YAgS2",
"formula_anonymous": "ABC2",
"energy": -23.79833125,
"energy_per_atom": -5.9495828125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.79233125,
"band_gap": 1.7042000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.120000Z",
"spacegroup": 160
},
{
"id": "mp-1216001",
"created_at": "2022-09-04T14:40:53.924023Z",
"structure_string": "Y1 Ag1 Se2\n1.0\n4.112599 0.000000 0.000000\n0.000000 4.112599 0.000000\n0.000000 0.000000 5.729677\nY Ag Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Se"
],
"chemical_system": "Ag-Se-Y",
"density": 6.07771217897688,
"density_atomic": 0.041275954026534764,
"volume": 96.908723113427,
"volume_molar": 14.58994928652307,
"formula_full": "Y1 Ag1 Se2",
"formula_reduced": "YAgSe2",
"formula_anonymous": "ABC2",
"energy": -21.67164343,
"energy_per_atom": -5.4179108575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.72764343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.051000Z",
"spacegroup": 123
},
{
"id": "mp-1216005",
"created_at": "2022-09-04T14:46:05.410786Z",
"structure_string": "Y1 Ag1 Sn2\n1.0\n4.653198 0.000000 0.000000\n0.000000 4.653198 0.000000\n0.000000 0.000000 4.431699\nY Ag Sn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sn-Y",
"density": 7.513800228917437,
"density_atomic": 0.041685658876899095,
"volume": 95.95626188402834,
"volume_molar": 14.446552896726034,
"formula_full": "Y1 Ag1 Sn2",
"formula_reduced": "YAgSn2",
"formula_anonymous": "ABC2",
"energy": -19.12597389,
"energy_per_atom": -4.7814934725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.12597389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.996000Z",
"spacegroup": 123
},
{
"id": "mp-1215907",
"created_at": "2022-09-04T14:44:57.661736Z",
"structure_string": "Y1 Ag1 Te2\n1.0\n2.263259 -3.920079 0.000000\n2.263259 3.920079 0.000000\n0.000000 0.000000 7.314602\nY Ag Te\n1 1 2\ndirect\n0.666667 0.333333 0.986218 Y\n0.000000 0.000000 0.381949 Ag\n0.000000 0.000000 0.764592 Te\n0.333333 0.666667 0.232241 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Y",
"density": 5.782462522079568,
"density_atomic": 0.030818409383832353,
"volume": 129.79255191860875,
"volume_molar": 19.540725431336746,
"formula_full": "Y1 Ag1 Te2",
"formula_reduced": "YAgTe2",
"formula_anonymous": "ABC2",
"energy": -20.06848023,
"energy_per_atom": -5.0171200575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.22448023,
"band_gap": 1.0842999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.967000Z",
"spacegroup": 156
},
{
"id": "mp-1047110",
"created_at": "2022-09-04T14:47:16.244974Z",
"structure_string": "Y1 Ag1 W2 O8\n1.0\n-5.236239 0.000000 0.000000\n-0.039831 -6.010011 0.000000\n2.375852 2.206977 5.346646\nY Ag W O\n1 1 2 8\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Ag\n0.755072 0.830912 0.008233 W\n0.244928 0.169088 0.991767 W\n0.770133 0.569319 0.754518 O\n0.764696 0.704998 0.236561 O\n0.860293 0.024979 0.811578 O\n0.654905 0.173516 0.187232 O\n0.235304 0.295002 0.763439 O\n0.229867 0.430681 0.245482 O\n0.139707 0.975021 0.188422 O\n0.345095 0.826484 0.812768 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Ag",
"W",
"O"
],
"chemical_system": "Ag-O-W-Y",
"density": 6.833778344587612,
"density_atomic": 0.07131897413934954,
"volume": 168.25816894888732,
"volume_molar": 8.443953145250507,
"formula_full": "Y1 Ag1 W2 O8",
"formula_reduced": "YAg(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -102.79397622,
"energy_per_atom": -8.566164685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.42197622,
"band_gap": 1.9677,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.478000Z",
"spacegroup": 2
},
{
"id": "mp-999544",
"created_at": "2022-09-04T14:45:20.309807Z",
"structure_string": "Y1 Ag2\n1.0\n-1.883551 1.883551 4.625565\n1.883551 -1.883551 4.625565\n1.883551 1.883551 -4.625565\nY Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.669293 0.669293 0.000000 Ag\n0.330707 0.330707 0.000000 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Ag"
],
"chemical_system": "Ag-Y",
"density": 7.706544393067641,
"density_atomic": 0.04570268417228441,
"volume": 65.6416587850938,
"volume_molar": 13.176776964124182,
"formula_full": "Y1 Ag2",
"formula_reduced": "YAg2",
"formula_anonymous": "AB2",
"energy": -13.11300965,
"energy_per_atom": -4.371003216666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.11300965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023787,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.031000Z",
"spacegroup": 139
},
{
"id": "mp-1096471",
"created_at": "2022-09-04T14:46:52.589781Z",
"structure_string": "Y1 Ag2 Hg1\n1.0\n-5.815003 6.150316 8.696840\n5.815003 -6.150316 8.696840\n5.815003 6.150316 -8.696840\nY Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.247331 0.247331 Ag\n0.000000 0.752669 0.752669 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Y",
"density": 0.6743281927036138,
"density_atomic": 0.003215075281754818,
"volume": 1244.1388301852649,
"volume_molar": 187.30947900893506,
"formula_full": "Y1 Ag2 Hg1",
"formula_reduced": "YAg2Hg",
"formula_anonymous": "ABC2",
"energy": -7.14741903,
"energy_per_atom": -1.7868547575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.14741903,
"band_gap": 0.2997999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.305000Z",
"spacegroup": 71
},
{
"id": "mp-1093543",
"created_at": "2022-09-04T14:39:11.248605Z",
"structure_string": "Y1 Ag2 Pb1\n1.0\n-5.686878 6.173068 8.773368\n5.686878 -6.173068 8.773368\n5.686878 6.173068 -8.773368\nY Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.250069 0.250069 Ag\n0.000000 0.749931 0.749931 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Y",
"density": 0.6898964643417288,
"density_atomic": 0.003246823504333979,
"volume": 1231.9733409163305,
"volume_molar": 185.47792178914023,
"formula_full": "Y1 Ag2 Pb1",
"formula_reduced": "YAg2Pb",
"formula_anonymous": "ABC2",
"energy": -9.11339882,
"energy_per_atom": -2.278349705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.11339882,
"band_gap": 0.0323999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5846806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.464000Z",
"spacegroup": 71
},
{
"id": "mp-1187811",
"created_at": "2022-09-04T14:42:16.560672Z",
"structure_string": "Y1 Ag3\n1.0\n0.000000 3.480379 3.480379\n3.480379 0.000000 3.480379\n3.480379 3.480379 0.000000\nY Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Ag"
],
"chemical_system": "Ag-Y",
"density": 8.124084614906684,
"density_atomic": 0.047440622281472535,
"volume": 84.31592604893297,
"volume_molar": 12.694059374410623,
"formula_full": "Y1 Ag3",
"formula_reduced": "YAg3",
"formula_anonymous": "AB3",
"energy": -15.87372553,
"energy_per_atom": -3.9684313825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.87372553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.027000Z",
"spacegroup": 225
},
{
"id": "mp-1187816",
"created_at": "2022-09-04T14:44:04.071783Z",
"structure_string": "Y1 Ag3\n1.0\n-2.219748 2.219748 4.241434\n2.219748 -2.219748 4.241434\n2.219748 2.219748 -4.241434\nY Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Ag"
],
"chemical_system": "Ag-Y",
"density": 8.194151718588637,
"density_atomic": 0.047849779393651454,
"volume": 83.59495175709642,
"volume_molar": 12.585514157666102,
"formula_full": "Y1 Ag3",
"formula_reduced": "YAg3",
"formula_anonymous": "AB3",
"energy": -15.8983914,
"energy_per_atom": -3.97459785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.8983914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.542000Z",
"spacegroup": 139
},
{
"id": "mp-35906",
"created_at": "2022-09-04T14:39:09.712042Z",
"structure_string": "Y1 Ag3 Cl6\n1.0\n6.501938 -3.498293 0.000000\n6.501938 3.498293 0.000000\n4.619722 0.000000 5.759463\nY Ag Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.207496 0.207496 0.207496 Ag\n0.500000 0.500000 0.500000 Ag\n0.792504 0.792504 0.792504 Ag\n0.770161 0.382660 0.103011 Cl\n0.103011 0.770161 0.382660 Cl\n0.382660 0.103011 0.770161 Cl\n0.617340 0.896989 0.229839 Cl\n0.896989 0.229839 0.617340 Cl\n0.229839 0.617340 0.896989 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Y",
"density": 3.9625689838130524,
"density_atomic": 0.038167086286586854,
"volume": 262.00585302510564,
"volume_molar": 15.77836126861058,
"formula_full": "Y1 Ag3 Cl6",
"formula_reduced": "Y(AgCl2)3",
"formula_anonymous": "AB3C6",
"energy": -41.36375716,
"energy_per_atom": -4.136375716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.67975716,
"band_gap": 2.8066,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.508000Z",
"spacegroup": 148
},
{
"id": "mp-11229",
"created_at": "2022-09-04T14:45:53.161785Z",
"structure_string": "Y1 Al1\n1.0\n3.605802 0.000000 0.000000\n0.000000 3.605802 0.000000\n0.000000 0.000000 3.605802\nY Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Al"
],
"chemical_system": "Al-Y",
"density": 4.104683241505227,
"density_atomic": 0.042660345638507034,
"volume": 46.88194551791712,
"volume_molar": 14.1164837505774,
"formula_full": "Y1 Al1",
"formula_reduced": "YAl",
"formula_anonymous": "AB",
"energy": -11.04185464,
"energy_per_atom": -5.52092732,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.04185464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.495000Z",
"spacegroup": 221
}
]
}