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=12193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=12191",
"results": [
{
"id": "mp-1095030",
"created_at": "2022-09-04T14:41:11.687946Z",
"structure_string": "B1 C7\n1.0\n3.620153 0.000000 0.000000\n0.000000 3.620153 0.000000\n0.000000 0.000000 3.620153\nB C\n1 7\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.500000 C\n0.745221 0.745221 0.254779 C\n0.745221 0.254779 0.745221 C\n0.254779 0.745221 0.745221 C\n0.254779 0.254779 0.254779 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.3210086109880343,
"density_atomic": 0.1686200485210423,
"volume": 47.44394317382533,
"volume_molar": 3.571426300027716,
"formula_full": "B1 C7",
"formula_reduced": "BC7",
"formula_anonymous": "AB7",
"energy": -69.15173414,
"energy_per_atom": -8.6439667675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.15173414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.532000Z",
"spacegroup": 215
},
{
"id": "mp-30148",
"created_at": "2022-09-04T14:48:23.394549Z",
"structure_string": "B2 C4 N2\n1.0\n3.601750 0.000000 0.000000\n0.000000 3.607643 0.000000\n0.000000 0.000000 3.651023\nB C N\n2 4 2\ndirect\n0.747227 0.500000 0.000000 B\n0.252773 0.000000 0.000000 B\n0.744874 0.000000 0.500000 C\n0.255126 0.500000 0.500000 C\n0.500000 0.750000 0.742496 C\n0.500000 0.250000 0.257504 C\n0.000000 0.250000 0.741930 N\n0.000000 0.750000 0.258070 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.4189681649775543,
"density_atomic": 0.168631342924575,
"volume": 47.44076552588578,
"volume_molar": 3.571187096987995,
"formula_full": "B2 C4 N2",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy": -68.44809387,
"energy_per_atom": -8.55601173375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.72609387,
"band_gap": 2.1099,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.660000Z",
"spacegroup": 17
},
{
"id": "mp-571653",
"created_at": "2022-09-04T14:44:05.649338Z",
"structure_string": "C3 N4\n1.0\n3.456765 0.000000 0.000000\n0.000000 3.456765 0.000000\n0.000000 0.000000 3.456765\nC N\n3 4\ndirect\n0.000000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.245687 0.245687 0.754313 N\n0.754313 0.754313 0.754313 N\n0.245687 0.754313 0.245687 N\n0.754313 0.245687 0.245687 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.700882616921342,
"density_atomic": 0.16946829957915677,
"volume": 41.30566021718049,
"volume_molar": 3.553550000179901,
"formula_full": "C3 N4",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -57.54514886,
"energy_per_atom": -8.220735551428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.10114886,
"band_gap": 2.476800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0023491,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.419000Z",
"spacegroup": 215
},
{
"id": "mp-1078845",
"created_at": "2022-09-04T14:42:07.122183Z",
"structure_string": "C8\n1.0\n2.127572 -4.385604 0.000000\n2.127572 4.385604 0.000000\n0.000000 0.000000 2.514689\nC\n8\ndirect\n0.648212 0.981498 0.000000 C\n0.351788 0.018502 0.000000 C\n0.018502 0.351788 0.000000 C\n0.981498 0.648212 0.000000 C\n0.404684 0.226369 0.500000 C\n0.595316 0.773631 0.500000 C\n0.773631 0.595316 0.500000 C\n0.226369 0.404684 0.500000 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4000041388062128,
"density_atomic": 0.17047552195583454,
"volume": 46.92755832753853,
"volume_molar": 3.53255452214434,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -71.68716467,
"energy_per_atom": -8.96089558375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.68716467,
"band_gap": 3.3272999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.830000Z",
"spacegroup": 65
},
{
"id": "mp-1104073",
"created_at": "2022-09-04T14:46:28.501426Z",
"structure_string": "C11 N4\n1.0\n3.541729 0.000000 0.000000\n0.000000 3.541729 0.000000\n0.000000 0.000000 6.993184\nC N\n11 4\ndirect\n0.500000 0.000000 0.257003 C\n0.500000 0.000000 0.742997 C\n0.000000 0.500000 0.742997 C\n0.000000 0.500000 0.257003 C\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.000000 C\n0.744811 0.744811 0.128196 C\n0.255189 0.255189 0.128196 C\n0.255189 0.744811 0.871804 C\n0.744811 0.255189 0.871804 C\n0.000000 0.000000 0.500000 C\n0.763099 0.763099 0.624596 N\n0.236901 0.236901 0.624596 N\n0.236901 0.763099 0.375404 N\n0.763099 0.236901 0.375404 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.5615169398560904,
"density_atomic": 0.17099588086563614,
"volume": 87.72141132327386,
"volume_molar": 3.5218045776974205,
"formula_full": "C11 N4",
"formula_reduced": "C11N4",
"formula_anonymous": "A4B11",
"energy": -130.19804721,
"energy_per_atom": -8.679869814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.75404721,
"band_gap": 2.434899999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.688000Z",
"spacegroup": 111
},
{
"id": "mp-1103408",
"created_at": "2022-09-04T14:40:29.507818Z",
"structure_string": "H2 C4 N6\n1.0\n2.251375 -3.833765 0.000000\n2.251375 3.833765 0.000000\n0.000000 0.000000 4.056538\nH C N\n2 4 6\ndirect\n0.601679 0.601679 0.701197 H\n0.398321 0.398321 0.201197 H\n0.331565 0.990139 0.498463 C\n0.990139 0.331565 0.498463 C\n0.668435 0.009861 0.998463 C\n0.009861 0.668435 0.998463 C\n0.332821 0.937359 0.856638 N\n0.937359 0.332821 0.856638 N\n0.667179 0.062641 0.356638 N\n0.062641 0.667179 0.356638 N\n0.714821 0.714821 0.924600 N\n0.285179 0.285179 0.424600 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 3.1799140116408147,
"density_atomic": 0.1713650982565855,
"volume": 70.0259278119303,
"volume_molar": 3.5142166177753587,
"formula_full": "H2 C4 N6",
"formula_reduced": "HC2N3",
"formula_anonymous": "AB2C3",
"energy": -92.54939815,
"energy_per_atom": -7.7124498458333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.38339815,
"band_gap": 4.415,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.223000Z",
"spacegroup": 36
},
{
"id": "mp-2852",
"created_at": "2022-09-04T14:46:12.265782Z",
"structure_string": "C6 N8\n1.0\n-2.725113 2.725113 2.725113\n2.725113 -2.725113 2.725113\n2.725113 2.725113 -2.725113\nC N\n6 8\ndirect\n0.125000 0.875000 0.250000 C\n0.250000 0.125000 0.875000 C\n0.750000 0.375000 0.625000 C\n0.625000 0.750000 0.375000 C\n0.875000 0.250000 0.125000 C\n0.375000 0.625000 0.750000 C\n0.567916 0.567916 0.567916 N\n0.500000 0.000000 0.432084 N\n0.432084 0.500000 0.000000 N\n0.000000 0.432084 0.500000 N\n0.932084 0.500000 0.000000 N\n0.000000 0.932084 0.500000 N\n0.500000 0.000000 0.932084 N\n0.067916 0.067916 0.067916 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.776863911212474,
"density_atomic": 0.17294758332743546,
"volume": 80.94938206505206,
"volume_molar": 3.4820612373625925,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -115.01715795,
"energy_per_atom": -8.215511282142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.12915795,
"band_gap": 2.9168000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0190547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.725000Z",
"spacegroup": 220
},
{
"id": "mp-24208",
"created_at": "2022-09-04T14:39:12.413334Z",
"structure_string": "Cr1 H2\n1.0\n0.000000 2.053118 2.053118\n2.053118 0.000000 2.053118\n2.053118 2.053118 0.000000\nCr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 5.181642764892287,
"density_atomic": 0.17332033805648625,
"volume": 17.30899001029112,
"volume_molar": 3.474572475180232,
"formula_full": "Cr1 H2",
"formula_reduced": "CrH2",
"formula_anonymous": "AB2",
"energy": -16.58164418,
"energy_per_atom": -5.527214726666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.22364418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9384325,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.649000Z",
"spacegroup": 225
},
{
"id": "mp-47",
"created_at": "2022-09-04T14:45:28.425709Z",
"structure_string": "C4\n1.0\n1.256547 -2.176403 0.000000\n1.256547 2.176403 0.000000\n0.000000 0.000000 4.181402\nC\n4\ndirect\n0.333333 0.666667 0.062772 C\n0.666667 0.333333 0.562772 C\n0.666667 0.333333 0.937228 C\n0.333333 0.666667 0.437228 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4882486627781524,
"density_atomic": 0.17490008459449727,
"volume": 22.87020048774664,
"volume_molar": 3.443189163665773,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.26105525,
"energy_per_atom": -9.0652638125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.26105525,
"band_gap": 3.3394999999999992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.546000Z",
"spacegroup": 194
},
{
"id": "mp-569567",
"created_at": "2022-09-04T14:43:12.872258Z",
"structure_string": "C14\n1.0\n14.498452 -1.262938 0.000000\n14.498452 1.262938 0.000000\n14.388439 0.000000 2.184704\nC\n14\ndirect\n0.410464 0.410464 0.410464 C\n0.303695 0.303695 0.303695 C\n0.589536 0.589536 0.589536 C\n0.172575 0.172575 0.172575 C\n0.827425 0.827425 0.827425 C\n0.553387 0.553387 0.553387 C\n0.208138 0.208138 0.208138 C\n0.731887 0.731887 0.731887 C\n0.268113 0.268113 0.268113 C\n0.446613 0.446613 0.446613 C\n0.017804 0.017804 0.017804 C\n0.791862 0.791862 0.791862 C\n0.696305 0.696305 0.696305 C\n0.982196 0.982196 0.982196 C\n",
"nsites": 14,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4899498577888632,
"density_atomic": 0.17498538216931178,
"volume": 80.0066829951197,
"volume_molar": 3.4415107624093517,
"formula_full": "C14",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -127.15387561,
"energy_per_atom": -9.08241968642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.15387561,
"band_gap": 4.3842,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.010000Z",
"spacegroup": 166
},
{
"id": "mp-611426",
"created_at": "2022-09-04T14:40:15.716016Z",
"structure_string": "C8\n1.0\n1.259972 -2.182335 0.000000\n1.259972 2.182335 0.000000\n0.000000 0.000000 8.307445\nC\n8\ndirect\n0.000000 0.000000 0.592961 C\n0.333333 0.666667 0.344463 C\n0.000000 0.000000 0.407039 C\n0.666667 0.333333 0.655537 C\n0.000000 0.000000 0.907039 C\n0.333333 0.666667 0.155537 C\n0.000000 0.000000 0.092961 C\n0.666667 0.333333 0.844463 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.492429288069796,
"density_atomic": 0.17510970030365489,
"volume": 45.68564726070189,
"volume_molar": 3.43906748144569,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -72.64770913,
"energy_per_atom": -9.08096364125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.64770913,
"band_gap": 4.5214,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0116994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.683000Z",
"spacegroup": 194
},
{
"id": "mp-611448",
"created_at": "2022-09-04T14:48:21.597021Z",
"structure_string": "C12\n1.0\n1.261126 -2.184334 0.000000\n1.261126 2.184334 0.000000\n0.000000 0.000000 12.433927\nC\n12\ndirect\n0.666667 0.333333 0.354860 C\n0.333333 0.666667 0.854860 C\n0.666667 0.333333 0.020765 C\n0.333333 0.666667 0.645140 C\n0.333333 0.666667 0.979235 C\n0.000000 0.000000 0.686902 C\n0.666667 0.333333 0.479235 C\n0.333333 0.666667 0.520765 C\n0.000000 0.000000 0.313098 C\n0.666667 0.333333 0.145140 C\n0.000000 0.000000 0.813098 C\n0.000000 0.000000 0.186902 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.493677627431383,
"density_atomic": 0.17517229178753446,
"volume": 68.50398472011051,
"volume_molar": 3.437838655044956,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -109.01007592000002,
"energy_per_atom": -9.084172993333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.01007592000002,
"band_gap": 4.399799999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.626000Z",
"spacegroup": 194
}
]
}