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=nelements&page=19",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=17",
"results": [
{
"id": "mp-605790",
"created_at": "2022-09-04T14:45:37.669797Z",
"structure_string": "Ba1\n1.0\n2.142620 -3.711126 0.000000\n2.142620 3.711126 0.000000\n0.000000 0.000000 3.975379\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6069958370046016,
"density_atomic": 0.015817600805873813,
"volume": 63.22071294330891,
"volume_molar": 38.072403229216015,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.74350121,
"energy_per_atom": -1.74350121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.74350121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.098000Z",
"spacegroup": 191
},
{
"id": "mp-568145",
"created_at": "2022-09-04T14:45:39.734844Z",
"structure_string": "Ar2\n1.0\n1.993797 -3.453358 0.000000\n1.993797 3.453358 0.000000\n0.000000 0.000000 6.538394\nAr\n2\ndirect\n0.333333 0.666667 0.250000 Ar\n0.666667 0.333333 0.750000 Ar\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ar"
],
"chemical_system": "Ar",
"density": 1.4735012557963914,
"density_atomic": 0.022212956782590297,
"volume": 90.0375406829012,
"volume_molar": 27.110937183832878,
"formula_full": "Ar2",
"formula_reduced": "Ar",
"formula_anonymous": "A",
"energy": -0.13675436,
"energy_per_atom": -0.06837718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.13675436,
"band_gap": 8.679,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.529000Z",
"spacegroup": 194
},
{
"id": "mp-1247117",
"created_at": "2022-09-04T14:45:58.862683Z",
"structure_string": "Pb2\n1.0\n4.331315 0.000000 2.500686\n1.443772 4.083603 2.500686\n0.000000 0.000000 5.001372\nPb\n2\ndirect\n0.875000 0.875000 0.875000 Pb\n0.125000 0.125000 0.125000 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 7.778868002989944,
"density_atomic": 0.022608802163925835,
"volume": 88.46112171263815,
"volume_molar": 26.63626633704996,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -6.90044635,
"energy_per_atom": -3.450223175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.90044635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.253000Z",
"spacegroup": 227
},
{
"id": "mp-1183694",
"created_at": "2022-09-04T14:45:58.920184Z",
"structure_string": "Cs1\n1.0\n-2.685025 2.685025 4.021208\n2.685025 -2.685025 4.021208\n2.685025 2.685025 -4.021208\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9031748818855136,
"density_atomic": 0.008623564247910042,
"volume": 115.961332373949,
"volume_molar": 69.83354662730657,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85803644,
"energy_per_atom": -0.85803644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85803644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.151000Z",
"spacegroup": 139
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-1186916",
"created_at": "2022-09-04T14:46:06.467887Z",
"structure_string": "Rh4\n1.0\n1.362007 -2.359066 0.000000\n1.362007 2.359066 0.000000\n0.000000 0.000000 8.870532\nRh\n4\ndirect\n0.000000 0.000000 0.000000 Rh\n0.333333 0.666667 0.250000 Rh\n0.000000 0.000000 0.500000 Rh\n0.666667 0.333333 0.750000 Rh\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 11.990811681777446,
"density_atomic": 0.07017152222113537,
"volume": 57.00318125342329,
"volume_molar": 8.582029531897708,
"formula_full": "Rh4",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -29.29756298,
"energy_per_atom": -7.324390745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.29756298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2933413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.973000Z",
"spacegroup": 194
},
{
"id": "mp-10659",
"created_at": "2022-09-04T14:46:11.513042Z",
"structure_string": "Ho3\n1.0\n8.617653 -1.772517 0.000000\n8.617653 1.772517 0.000000\n8.253073 0.000000 3.048366\nHo\n3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.777941 0.777941 0.777941 Ho\n0.222059 0.222059 0.222059 Ho\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.822554243159384,
"density_atomic": 0.03221400621389803,
"volume": 93.12719380757169,
"volume_molar": 18.694168989766567,
"formula_full": "Ho3",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -13.74722661,
"energy_per_atom": -4.58240887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.74722661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.139000Z",
"spacegroup": 166
},
{
"id": "mp-1104251",
"created_at": "2022-09-04T14:46:16.428869Z",
"structure_string": "B15\n1.0\n2.902644 1.675842 4.012051\n-2.902644 1.675842 4.012051\n0.000000 -3.351684 4.012051\nB\n15\ndirect\n0.500000 0.500000 0.500000 B\n0.699020 0.192817 0.192817 B\n0.192817 0.192817 0.699020 B\n0.192817 0.699020 0.192817 B\n0.300980 0.807183 0.807183 B\n0.807183 0.807183 0.300980 B\n0.807183 0.300980 0.807183 B\n0.670611 0.993136 0.993136 B\n0.993136 0.993136 0.670611 B\n0.993136 0.670611 0.993136 B\n0.329389 0.006864 0.006864 B\n0.006864 0.006864 0.329389 B\n0.006864 0.329389 0.006864 B\n0.365933 0.365933 0.365933 B\n0.634067 0.634067 0.634067 B\n",
"nsites": 15,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.299649687534881,
"density_atomic": 0.1280992888891955,
"volume": 117.09666876429608,
"volume_molar": 4.701150812171242,
"formula_full": "B15",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -96.97087106,
"energy_per_atom": -6.4647247373333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.97087106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005542,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.514000Z",
"spacegroup": 166
},
{
"id": "mp-1095534",
"created_at": "2022-09-04T14:46:24.019461Z",
"structure_string": "C12\n1.0\n-4.749414 4.749414 1.419953\n4.749414 -4.749414 1.419953\n4.749414 4.749414 -1.419953\nC\n12\ndirect\n0.785284 0.214716 0.000000 C\n0.214716 0.785284 0.000000 C\n0.214716 0.214716 0.429432 C\n0.785284 0.785284 0.570568 C\n0.936386 0.237972 0.174358 C\n0.063614 0.762028 0.825642 C\n0.063614 0.237972 0.301586 C\n0.936386 0.762028 0.698414 C\n0.762028 0.936386 0.698414 C\n0.237972 0.063614 0.301586 C\n0.237972 0.936386 0.174358 C\n0.762028 0.063614 0.825642 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8680334376516554,
"density_atomic": 0.09366281990069324,
"volume": 128.11914068702072,
"volume_molar": 6.429595827229016,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -97.26369794,
"energy_per_atom": -8.105308161666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.26369794,
"band_gap": 0.3717999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.015000Z",
"spacegroup": 139
},
{
"id": "mp-999498",
"created_at": "2022-09-04T14:46:24.608362Z",
"structure_string": "N4\n1.0\n-1.902148 1.902148 1.902148\n1.902148 -1.902148 1.902148\n1.902148 1.902148 -1.902148\nN\n4\ndirect\n0.328702 0.328702 0.328702 N\n0.500000 0.000000 0.171298 N\n0.000000 0.171298 0.500000 N\n0.171298 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.379496565757236,
"density_atomic": 0.14530049207850398,
"volume": 27.529156596653863,
"volume_molar": 4.144611400728302,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -27.37226736,
"energy_per_atom": -6.84306684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.37226736,
"band_gap": 3.9594,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.472000Z",
"spacegroup": 199
},
{
"id": "mp-20483",
"created_at": "2022-09-04T14:46:29.192196Z",
"structure_string": "Pb1\n1.0\n0.000000 2.525267 2.525267\n2.525267 0.000000 2.525267\n2.525267 2.525267 0.000000\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.682845378536916,
"density_atomic": 0.03104903407774957,
"volume": 32.207121081316416,
"volume_molar": 19.39558166260509,
"formula_full": "Pb1",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -3.71264707,
"energy_per_atom": -3.71264707,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.71264707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000845,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.028000Z",
"spacegroup": 225
},
{
"id": "mp-972351",
"created_at": "2022-09-04T14:39:10.989706Z",
"structure_string": "Tl3\n1.0\n8.303442 -1.825894 0.000000\n8.303442 1.825894 0.000000\n7.901935 0.000000 3.136951\nTl\n3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.220598 0.220598 0.220598 Tl\n0.779402 0.779402 0.779402 Tl\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.703955888179133,
"density_atomic": 0.03153913703796827,
"volume": 95.11991391484369,
"volume_molar": 19.09418368914238,
"formula_full": "Tl3",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -7.08792944,
"energy_per_atom": -2.3626431466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.08792944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.817000Z",
"spacegroup": 166
}
]
}