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=density_atomic&page=12191",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=12189",
"results": [
{
"id": "mp-974464",
"created_at": "2022-09-04T14:42:21.730556Z",
"structure_string": "Re2 H6\n1.0\n2.201107 -3.812429 0.000000\n2.201107 3.812429 0.000000\n0.000000 0.000000 2.900845\nRe H\n2 6\ndirect\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n0.165867 0.331733 0.250000 H\n0.668267 0.834133 0.250000 H\n0.165867 0.834133 0.250000 H\n0.834133 0.668267 0.750000 H\n0.331733 0.165867 0.750000 H\n0.834133 0.165867 0.750000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"H"
],
"chemical_system": "H-Re",
"density": 12.908433016931415,
"density_atomic": 0.16432080280761135,
"volume": 48.685253865065945,
"volume_molar": 3.6648681463970147,
"formula_full": "Re2 H6",
"formula_reduced": "ReH3",
"formula_anonymous": "AB3",
"energy": -42.25485767,
"energy_per_atom": -5.28185720875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.18085767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.545000Z",
"spacegroup": 194
},
{
"id": "mp-1794",
"created_at": "2022-09-04T14:48:29.891180Z",
"structure_string": "Be1 O1\n1.0\n0.000000 1.824622 1.824622\n1.824622 0.000000 1.824622\n1.824622 1.824622 0.000000\nBe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 3.4185469033107654,
"density_atomic": 0.16461950030600989,
"volume": 12.149228956971779,
"volume_molar": 3.6582183452176023,
"formula_full": "Be1 O1",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"energy": -13.93013602,
"energy_per_atom": -6.96506801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.24313602,
"band_gap": 8.1681,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:53.207000Z",
"spacegroup": 225
},
{
"id": "mp-1008523",
"created_at": "2022-09-04T14:41:16.115915Z",
"structure_string": "B1 C2 N1\n1.0\n2.568581 0.000000 0.000000\n0.000000 2.568581 0.000000\n0.000000 0.000000 3.675626\nB C N\n1 2 1\ndirect\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.247981 C\n0.000000 0.500000 0.752019 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.344251290701053,
"density_atomic": 0.16494613550514417,
"volume": 24.250340802166004,
"volume_molar": 3.650974144715375,
"formula_full": "B1 C2 N1",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy": -32.41955521,
"energy_per_atom": -8.1048888025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.05855521,
"band_gap": 1.5215999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001645,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.873000Z",
"spacegroup": 115
},
{
"id": "mp-1008395",
"created_at": "2022-09-04T14:43:39.239163Z",
"structure_string": "C4\n1.0\n-2.189607 2.189607 1.257332\n2.189607 -2.189607 1.257332\n2.189607 2.189607 -1.257332\nC\n4\ndirect\n0.180288 0.180288 0.360576 C\n0.819712 0.819712 0.639424 C\n0.819712 0.180288 0.000000 C\n0.180288 0.819712 0.000000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3085301943573393,
"density_atomic": 0.16588903682562642,
"volume": 24.11250361411516,
"volume_molar": 3.6302222710052554,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -35.57433527,
"energy_per_atom": -8.8935838175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.57433527,
"band_gap": 2.3454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.428000Z",
"spacegroup": 139
},
{
"id": "mp-1095514",
"created_at": "2022-09-04T14:44:04.574780Z",
"structure_string": "B2 C10\n1.0\n4.394024 -0.002456 0.707101\n-1.158567 -3.686981 2.222195\n0.004496 -0.001395 -4.462193\nB C\n2 10\ndirect\n0.190628 0.395143 0.732716 B\n0.809372 0.604857 0.267284 B\n0.685753 0.216695 0.885662 C\n0.314247 0.783305 0.114338 C\n0.316278 0.096052 0.771439 C\n0.683722 0.903948 0.228561 C\n0.798516 0.268487 0.600488 C\n0.201484 0.731513 0.399512 C\n0.683644 0.560293 0.576231 C\n0.316356 0.439707 0.423769 C\n0.188201 0.063746 0.063193 C\n0.811799 0.936254 0.936807 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2538008141475063,
"density_atomic": 0.16590687733268797,
"volume": 72.32973215412143,
"volume_molar": 3.6298319013768108,
"formula_full": "B2 C10",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -102.25218836000002,
"energy_per_atom": -8.521015696666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.25218836000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.032000Z",
"spacegroup": 2
},
{
"id": "mp-1386486",
"created_at": "2022-09-04T14:48:08.259793Z",
"structure_string": "B2 C10\n1.0\n4.450555 0.000000 0.000000\n-0.788755 4.387724 0.000000\n-0.704511 -2.386571 3.703935\nB C\n2 10\ndirect\n0.190628 0.662427 0.732716 B\n0.809372 0.337573 0.267284 B\n0.685753 0.331032 0.885662 C\n0.314247 0.668968 0.114338 C\n0.316278 0.324613 0.771439 C\n0.683722 0.675387 0.228561 C\n0.798516 0.667999 0.600488 C\n0.201484 0.332001 0.399512 C\n0.683644 0.984063 0.576231 C\n0.316356 0.015937 0.423769 C\n0.188201 0.000553 0.063193 C\n0.811799 0.999447 0.936807 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2538010112924227,
"density_atomic": 0.16590688738483905,
"volume": 72.32972777172714,
"volume_molar": 3.629831681448516,
"formula_full": "B2 C10",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -71.48593122,
"energy_per_atom": -5.957160935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.48593122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.034000Z",
"spacegroup": 2
},
{
"id": "mp-1077743",
"created_at": "2022-09-04T14:46:54.903977Z",
"structure_string": "B1 C5\n1.0\n-1.252600 1.867137 3.862554\n1.252600 -1.867137 3.862554\n1.252600 1.867137 -3.862554\nB C\n1 5\ndirect\n0.475824 0.500000 0.975824 B\n0.888798 0.672384 0.216414 C\n0.544030 0.327616 0.216414 C\n0.126699 0.168442 0.958257 C\n0.789815 0.831558 0.958257 C\n0.174735 0.000000 0.174735 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2565269506759633,
"density_atomic": 0.16604587932588077,
"volume": 36.13459138136413,
"volume_molar": 3.626793260060961,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.30656161,
"energy_per_atom": -8.551093601666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.30656161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.705000Z",
"spacegroup": 44
},
{
"id": "mp-1228638",
"created_at": "2022-09-04T14:45:16.938119Z",
"structure_string": "B4 C2 N4\n1.0\n10.498388 -1.288295 0.000000\n10.498388 1.288295 0.000000\n10.340296 0.000000 2.225786\nB C N\n4 2 4\ndirect\n0.399248 0.399248 0.399248 B\n0.799106 0.799106 0.799106 B\n0.199272 0.199272 0.199272 B\n0.599348 0.599348 0.599348 B\n0.003612 0.003612 0.003612 C\n0.048400 0.048400 0.048400 C\n0.450243 0.450243 0.450243 N\n0.850496 0.850496 0.850496 N\n0.250541 0.250541 0.250541 N\n0.649734 0.649734 0.649734 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.4004262243912424,
"density_atomic": 0.16609197803556194,
"volume": 60.20760375229501,
"volume_molar": 3.625786646186247,
"formula_full": "B4 C2 N4",
"formula_reduced": "B2CN2",
"formula_anonymous": "AB2C2",
"energy": -85.58580925,
"energy_per_atom": -8.558580925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.14180925,
"band_gap": 1.0153999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.663000Z",
"spacegroup": 160
},
{
"id": "mp-1077125",
"created_at": "2022-09-04T14:43:52.079763Z",
"structure_string": "B1 C5\n1.0\n-1.258025 1.258025 5.704881\n1.258025 -1.258025 5.704881\n1.258025 1.258025 -5.704881\nB C\n1 5\ndirect\n0.750000 0.250000 0.500000 B\n0.843719 0.843719 0.000000 C\n0.156281 0.156281 0.000000 C\n0.500000 0.500000 0.000000 C\n0.419884 0.919884 0.500000 C\n0.080116 0.580116 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.258312242793307,
"density_atomic": 0.1661369089423918,
"volume": 36.1147925418578,
"volume_molar": 3.6248060700877645,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.4462147,
"energy_per_atom": -8.574369116666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.4462147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.681000Z",
"spacegroup": 119
},
{
"id": "mp-1079201",
"created_at": "2022-09-04T14:41:28.121140Z",
"structure_string": "B2 C4 N2\n1.0\n2.561324 2.583657 0.000000\n-2.561324 2.583657 0.000000\n0.000000 0.018266 3.636656\nB C N\n2 4 2\ndirect\n0.252561 0.252561 0.750710 B\n0.996545 0.996545 0.495591 B\n0.502451 0.502451 0.494637 C\n0.254680 0.750272 0.254416 C\n0.750272 0.254680 0.254416 C\n0.748355 0.748355 0.749905 C\n0.993860 0.501276 0.000162 N\n0.501276 0.993860 0.000162 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.369885550699512,
"density_atomic": 0.16621047593764604,
"volume": 48.13174353102271,
"volume_molar": 3.6232016821004778,
"formula_full": "B2 C4 N2",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy": -65.69479811,
"energy_per_atom": -8.21184976375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.97279811,
"band_gap": 0.7324000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.088000Z",
"spacegroup": 8
},
{
"id": "mp-1018649",
"created_at": "2022-09-04T14:41:26.098572Z",
"structure_string": "B1 C5\n1.0\n1.275776 -2.209708 0.000000\n1.275776 2.209708 0.000000\n0.000000 0.000000 6.399657\nB C\n1 5\ndirect\n0.333333 0.666667 0.007586 B\n0.333333 0.666667 0.259511 C\n0.666667 0.333333 0.339033 C\n0.000000 0.000000 0.664563 C\n0.666667 0.333333 0.581364 C\n0.000000 0.000000 0.898942 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2612329021534134,
"density_atomic": 0.16628582939015887,
"volume": 36.08244925021309,
"volume_molar": 3.6215598058389946,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.27068012,
"energy_per_atom": -8.545113353333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.27068012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.621000Z",
"spacegroup": 156
},
{
"id": "mp-1063581",
"created_at": "2022-09-04T14:43:18.073557Z",
"structure_string": "H3 S1\n1.0\n-1.817391 1.817391 1.817391\n1.817391 -1.817391 1.817391\n1.817391 1.817391 -1.817391\nH S\n3 1\ndirect\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 2.4266813400622738,
"density_atomic": 0.1665922834061751,
"volume": 24.010715972044427,
"volume_molar": 3.614897783300794,
"formula_full": "H3 S1",
"formula_reduced": "H3S",
"formula_anonymous": "AB3",
"energy": -11.97436441,
"energy_per_atom": -2.9935911025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.47136441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.132000Z",
"spacegroup": 229
}
]
}