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_reduced&page=33",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=31",
"results": [
{
"id": "mp-32669",
"created_at": "2022-09-04T14:45:43.183489Z",
"structure_string": "Ag4 S2\n1.0\n2.390031 -3.531984 0.000000\n2.390031 3.531984 0.000000\n0.000000 0.000000 7.589422\nAg S\n4 2\ndirect\n0.493457 0.506543 0.691216 Ag\n0.506543 0.493457 0.191216 Ag\n0.105995 0.894005 0.935349 Ag\n0.894005 0.105995 0.435349 Ag\n0.283290 0.716710 0.436182 S\n0.716710 0.283290 0.936182 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.422762894340639,
"density_atomic": 0.04682634831505096,
"volume": 128.132989564584,
"volume_molar": 12.8605816526256,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy": -20.90880487,
"energy_per_atom": -3.4848008116666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.90280487,
"band_gap": 1.3001000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.657000Z",
"spacegroup": 36
},
{
"id": "mp-556225",
"created_at": "2022-09-04T14:47:43.366202Z",
"structure_string": "Ag4 S2\n1.0\n7.549481 0.000000 0.000000\n0.000000 4.223035 0.000000\n0.000000 1.487861 3.968908\nAg S\n4 2\ndirect\n0.750000 0.130570 0.108110 Ag\n0.250000 0.869430 0.891890 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.750000 0.736430 0.710199 S\n0.250000 0.263570 0.289801 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.5038428577667515,
"density_atomic": 0.047417476879380825,
"volume": 126.5356234635306,
"volume_molar": 12.700255594195667,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy": -20.89083048,
"energy_per_atom": -3.4818050800000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.88483048,
"band_gap": 1.1894,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.820000Z",
"spacegroup": 11
},
{
"id": "mp-36216",
"created_at": "2022-09-04T14:39:26.096950Z",
"structure_string": "Ag4 S2\n1.0\n2.409435 -3.484429 0.000000\n2.409435 3.484429 0.000000\n0.000000 0.000000 7.577337\nAg S\n4 2\ndirect\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.879892 0.120108 0.250000 Ag\n0.120108 0.879892 0.750000 Ag\n0.279710 0.720290 0.250000 S\n0.720290 0.279710 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.468289004213283,
"density_atomic": 0.04715826489260424,
"volume": 127.23114418361418,
"volume_molar": 12.770064322159664,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy": -20.8947524,
"energy_per_atom": -3.4824587333333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.8887524,
"band_gap": 1.2959,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.182000Z",
"spacegroup": 63
},
{
"id": "mp-560025",
"created_at": "2022-09-04T14:39:17.951290Z",
"structure_string": "Ag4 S2\n1.0\n6.506144 0.000000 0.000000\n0.000000 4.256782 0.000000\n0.000000 1.067581 4.602364\nAg S\n4 2\ndirect\n0.501857 0.470079 0.522282 Ag\n0.368726 0.859998 0.929639 Ag\n0.868726 0.140002 0.070361 Ag\n0.001857 0.529921 0.477718 Ag\n0.254416 0.284553 0.210962 S\n0.754416 0.715447 0.789038 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.45649477801871,
"density_atomic": 0.047072276891337646,
"volume": 127.46356021508139,
"volume_molar": 12.793391689765933,
"formula_full": "Ag4 S2",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy": -20.43479722,
"energy_per_atom": -3.4057995366666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.42879722,
"band_gap": 0.3700999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.257000Z",
"spacegroup": 4
},
{
"id": "mp-610517",
"created_at": "2022-09-04T14:44:19.696056Z",
"structure_string": "Ag8 S4\n1.0\n7.401795 0.000000 0.000000\n0.000000 4.361136 0.000000\n0.000000 2.839211 7.639011\nAg S\n8 4\ndirect\n0.508813 0.477457 0.793587 Ag\n0.491187 0.522543 0.206413 Ag\n0.693029 0.855329 0.442909 Ag\n0.008813 0.522543 0.706413 Ag\n0.991187 0.477457 0.293587 Ag\n0.306971 0.144671 0.557091 Ag\n0.806971 0.855329 0.942909 Ag\n0.193029 0.144671 0.057091 Ag\n0.763344 0.260309 0.140539 S\n0.263344 0.739691 0.359461 S\n0.236656 0.739691 0.859461 S\n0.736656 0.260309 0.640539 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.6748118178190365,
"density_atomic": 0.048663957904162954,
"volume": 246.58906749081873,
"volume_molar": 12.374950619223753,
"formula_full": "Ag8 S4",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy": -41.58832246,
"energy_per_atom": -3.4656935383333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.57632246,
"band_gap": 1.0006999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031848,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.504000Z",
"spacegroup": 14
},
{
"id": "mp-1229090",
"created_at": "2022-09-04T14:44:07.409212Z",
"structure_string": "Ag2 S1\n1.0\n0.000000 3.123988 3.123988\n3.123988 0.000000 3.123988\n3.123988 3.123988 0.000000\nAg S\n2 1\ndirect\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.748306298659036,
"density_atomic": 0.049199783095854224,
"volume": 60.97587857562714,
"volume_molar": 12.240177458236497,
"formula_full": "Ag2 S1",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy": -10.25337676,
"energy_per_atom": -3.4177922533333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.75037676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.52e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.911000Z",
"spacegroup": 225
},
{
"id": "mp-1192057",
"created_at": "2022-09-04T14:47:40.589354Z",
"structure_string": "Ag4 S4 O14\n1.0\n6.946724 0.000000 0.000000\n0.458056 7.007331 0.000000\n0.411538 3.138529 6.339125\nAg S O\n4 4 14\ndirect\n0.127674 0.797741 0.214737 Ag\n0.872326 0.202259 0.785263 Ag\n0.643234 0.780687 0.581782 Ag\n0.356766 0.219313 0.418218 Ag\n0.139918 0.716812 0.723827 S\n0.860082 0.283188 0.276173 S\n0.359134 0.300566 0.875672 S\n0.640866 0.699434 0.124328 S\n0.981944 0.651008 0.641036 O\n0.018056 0.348992 0.358964 O\n0.290284 0.816996 0.557599 O\n0.709716 0.183004 0.442401 O\n0.083589 0.833434 0.845116 O\n0.916411 0.166566 0.154884 O\n0.238984 0.498973 0.909616 O\n0.761016 0.501027 0.090384 O\n0.370239 0.141100 0.094540 O\n0.629761 0.858900 0.905460 O\n0.236622 0.249185 0.744519 O\n0.763378 0.750815 0.255481 O\n0.543623 0.387273 0.772891 O\n0.456377 0.612727 0.227109 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ag",
"S",
"O"
],
"chemical_system": "Ag-O-S",
"density": 4.217455153325683,
"density_atomic": 0.0712952651472912,
"volume": 308.5758914641735,
"volume_molar": 8.446761152453343,
"formula_full": "Ag4 S4 O14",
"formula_reduced": "Ag2S2O7",
"formula_anonymous": "A2B2C7",
"energy": -128.11472689,
"energy_per_atom": -5.823396676818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.49672689,
"band_gap": 2.3016,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006634,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.705000Z",
"spacegroup": 2
},
{
"id": "mp-568889",
"created_at": "2022-09-04T14:44:26.574879Z",
"structure_string": "Ag8 Se4\n1.0\n4.582241 0.000000 0.000000\n0.000000 7.348443 0.000000\n0.000000 0.000000 7.937636\nAg Se\n8 4\ndirect\n0.005544 0.102896 0.244146 Ag\n0.994456 0.102896 0.755854 Ag\n0.500000 0.609052 0.000000 Ag\n0.494456 0.897104 0.244146 Ag\n0.000000 0.390948 0.000000 Ag\n0.000000 0.385067 0.500000 Ag\n0.505544 0.897104 0.755854 Ag\n0.500000 0.614933 0.500000 Ag\n0.519981 0.294451 0.250649 Se\n0.480019 0.294451 0.749351 Se\n0.019981 0.705549 0.749351 Se\n0.980019 0.705549 0.250649 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.323513446110628,
"density_atomic": 0.04489694700594103,
"volume": 267.2787527938612,
"volume_molar": 13.41325226234896,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -37.82371779,
"energy_per_atom": -3.1519764825000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.93571779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.366000Z",
"spacegroup": 17
},
{
"id": "mp-568971",
"created_at": "2022-09-04T14:42:48.745235Z",
"structure_string": "Ag8 Se4\n1.0\n4.970403 0.000000 0.000000\n0.000000 7.146829 0.000000\n0.000000 0.000000 7.774308\nAg Se\n8 4\ndirect\n0.250000 0.257949 0.973786 Ag\n0.750000 0.742051 0.026214 Ag\n0.250000 0.613848 0.210906 Ag\n0.750000 0.757949 0.526214 Ag\n0.750000 0.113848 0.289094 Ag\n0.750000 0.386152 0.789094 Ag\n0.250000 0.886152 0.710906 Ag\n0.250000 0.242051 0.473787 Ag\n0.750000 0.515138 0.283504 Se\n0.750000 0.984862 0.783504 Se\n0.250000 0.015138 0.216496 Se\n0.250000 0.484862 0.716496 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.087893497811947,
"density_atomic": 0.04345247415692531,
"volume": 276.1637911954774,
"volume_molar": 13.859143528286781,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -39.25718313,
"energy_per_atom": -3.2714319275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.36918313,
"band_gap": 0.9678,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.698000Z",
"spacegroup": 62
},
{
"id": "mp-32758",
"created_at": "2022-09-04T14:41:02.923147Z",
"structure_string": "Ag4 Se2\n1.0\n2.479695 -3.636743 0.000000\n2.479695 3.636743 0.000000\n0.000000 0.000000 7.220818\nAg Se\n4 2\ndirect\n0.850619 0.149381 0.359787 Ag\n0.649381 0.350619 0.859787 Ag\n0.350619 0.649381 0.140213 Ag\n0.149381 0.850619 0.640213 Ag\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.514959619881475,
"density_atomic": 0.04607061163856962,
"volume": 130.23486744805643,
"volume_molar": 13.07154506053563,
"formula_full": "Ag4 Se2",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -19.45732027,
"energy_per_atom": -3.242886711666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.51332027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.215000Z",
"spacegroup": 64
},
{
"id": "mp-1247874",
"created_at": "2022-09-04T14:39:28.282645Z",
"structure_string": "Ag6 Se3\n1.0\n9.752244 1.088523 -2.693636\n-4.636439 8.979046 -4.578926\n1.092131 -4.904438 27.814256\nAg Se\n6 3\ndirect\n0.518577 0.498640 0.671928 Ag\n0.732977 0.500747 0.744079 Ag\n0.500613 0.500589 0.333651 Ag\n0.750173 0.251285 0.500869 Ag\n0.625337 0.996899 0.123637 Ag\n0.625427 0.376218 0.000755 Ag\n0.999157 0.998740 -0.000098 Se\n0.998747 0.000383 0.666774 Se\n0.998992 0.001500 0.333405 Se\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 0.6336967962569451,
"density_atomic": 0.0038848910005746576,
"volume": 2316.6673141328056,
"volume_molar": 155.0144073310988,
"formula_full": "Ag6 Se3",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -8.08662256,
"energy_per_atom": -0.8985136177777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.67062256,
"band_gap": 0.0056000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0496851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.792000Z",
"spacegroup": 1
},
{
"id": "mp-754954",
"created_at": "2022-09-04T14:40:14.224719Z",
"structure_string": "Ag8 Se4\n1.0\n4.679935 0.000000 0.000000\n0.000000 7.389328 0.000000\n0.000000 0.000000 7.797196\nAg Se\n8 4\ndirect\n0.994467 0.366233 0.459162 Ag\n0.510578 0.832455 0.287927 Ag\n0.489422 0.332455 0.212073 Ag\n0.005533 0.866233 0.040838 Ag\n0.494467 0.133767 0.540838 Ag\n0.010578 0.667545 0.712073 Ag\n0.989422 0.167545 0.787927 Ag\n0.505533 0.633767 0.959162 Ag\n0.503203 0.044923 0.015907 Se\n0.496797 0.544923 0.484093 Se\n0.003203 0.455077 0.984093 Se\n0.996797 0.955077 0.515907 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.259399584691568,
"density_atomic": 0.0445038956843781,
"volume": 269.63931618715077,
"volume_molar": 13.531715970909739,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -39.27803588,
"energy_per_atom": -3.2731696566666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.39003588,
"band_gap": 0.1383999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.183000Z",
"spacegroup": 19
}
]
}