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=-volume_molar&page=12190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=12188",
"results": [
{
"id": "mp-13151",
"created_at": "2022-09-04T14:40:06.231277Z",
"structure_string": "B4 N4\n1.0\n4.424223 0.000000 0.000000\n0.000000 4.424223 0.000000\n0.000000 0.000000 2.550356\nB N\n4 4\ndirect\n0.174283 0.825717 0.500000 B\n0.325717 0.325717 0.000000 B\n0.674283 0.674283 0.000000 B\n0.825717 0.174283 0.500000 B\n0.812601 0.812601 0.500000 N\n0.312601 0.687399 0.000000 N\n0.687399 0.312601 0.000000 N\n0.187399 0.187399 0.500000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.3021423706377253,
"density_atomic": 0.16025631845346372,
"volume": 49.92002859670767,
"volume_molar": 3.7578179869074857,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -70.32118185,
"energy_per_atom": -8.79014773125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.87718185,
"band_gap": 4.7783,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.183000Z",
"spacegroup": 136
},
{
"id": "mp-24728",
"created_at": "2022-09-04T14:46:01.367039Z",
"structure_string": "V1 H2\n1.0\n0.000000 2.107441 2.107441\n2.107441 0.000000 2.107441\n2.107441 2.107441 0.000000\nV H\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 4.697635520449194,
"density_atomic": 0.1602599431076307,
"volume": 18.719587326854334,
"volume_molar": 3.7577329950476313,
"formula_full": "V1 H2",
"formula_reduced": "VH2",
"formula_anonymous": "AB2",
"energy": -16.83710607,
"energy_per_atom": -5.61236869,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.47910607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.136000Z",
"spacegroup": 225
},
{
"id": "mp-1985",
"created_at": "2022-09-04T14:43:12.781787Z",
"structure_string": "C6 N8\n1.0\n3.225263 -5.586320 0.000000\n3.225263 5.586320 0.000000\n0.000000 0.000000 2.423140\nC N\n6 8\ndirect\n0.178340 0.773245 0.250000 C\n0.226755 0.405095 0.250000 C\n0.594905 0.821660 0.250000 C\n0.821660 0.226755 0.750000 C\n0.773245 0.594905 0.750000 C\n0.405095 0.178340 0.750000 C\n0.329887 0.033307 0.250000 N\n0.966693 0.296580 0.250000 N\n0.703420 0.670113 0.250000 N\n0.670113 0.966693 0.750000 N\n0.033307 0.703420 0.750000 N\n0.296580 0.329887 0.750000 N\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.501429834147895,
"density_atomic": 0.16033509341141694,
"volume": 87.31712878400397,
"volume_molar": 3.7559717164022826,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -117.35801007,
"energy_per_atom": -8.382715005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.47001007,
"band_gap": 3.1949000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.563000Z",
"spacegroup": 176
},
{
"id": "mp-24342",
"created_at": "2022-09-04T14:42:51.407908Z",
"structure_string": "Li4 Be4 H12\n1.0\n4.394895 0.000000 0.000000\n0.000000 4.517409 0.000000\n0.000000 0.000000 6.276607\nLi Be H\n4 4 12\ndirect\n0.489993 0.450501 0.750000 Li\n0.989993 0.049499 0.250000 Li\n0.010007 0.950501 0.750000 Li\n0.510007 0.549499 0.250000 Li\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.572341 0.016581 0.750000 H\n0.072341 0.483419 0.250000 H\n0.927659 0.516581 0.750000 H\n0.427659 0.983419 0.250000 H\n0.292113 0.707225 0.536930 H\n0.792113 0.792775 0.463070 H\n0.207887 0.207225 0.963070 H\n0.707887 0.292775 0.036930 H\n0.292113 0.707225 0.963070 H\n0.792113 0.792775 0.036930 H\n0.207887 0.207225 0.536930 H\n0.707887 0.292775 0.463070 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Be",
"H"
],
"chemical_system": "Be-H-Li",
"density": 1.011518520444171,
"density_atomic": 0.16049708256253625,
"volume": 124.61285701070099,
"volume_molar": 3.752180827120971,
"formula_full": "Li4 Be4 H12",
"formula_reduced": "LiBeH3",
"formula_anonymous": "ABC3",
"energy": -67.79955627,
"energy_per_atom": -3.3899778135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.65155627,
"band_gap": 2.7052,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.896000Z",
"spacegroup": 62
},
{
"id": "mp-9410",
"created_at": "2022-09-04T14:41:51.742288Z",
"structure_string": "C12 N16\n1.0\n3.255567 -5.638807 0.000000\n3.255567 5.638807 0.000000\n0.000000 0.000000 4.744765\nC N\n12 16\ndirect\n0.517157 0.081110 0.204299 C\n0.918890 0.436047 0.204299 C\n0.563953 0.482843 0.204299 C\n0.081110 0.517157 0.704299 C\n0.436047 0.918890 0.704299 C\n0.482843 0.563953 0.704299 C\n0.165824 0.254895 0.992732 C\n0.745105 0.910929 0.992732 C\n0.089071 0.834176 0.992732 C\n0.254895 0.165824 0.492732 C\n0.910929 0.745105 0.492732 C\n0.834176 0.089071 0.492732 C\n0.000000 0.000000 0.993073 N\n0.000000 0.000000 0.493073 N\n0.333333 0.666667 0.628705 N\n0.666667 0.333333 0.128705 N\n0.346752 0.950066 0.973305 N\n0.049934 0.396686 0.973305 N\n0.603314 0.653248 0.973305 N\n0.950066 0.346752 0.473305 N\n0.396686 0.049934 0.473305 N\n0.653248 0.603314 0.473305 N\n0.314703 0.319656 0.245272 N\n0.680344 0.995047 0.245272 N\n0.004953 0.685297 0.245272 N\n0.319656 0.314703 0.745272 N\n0.995047 0.680344 0.745272 N\n0.685297 0.004953 0.745272 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.5100742157616653,
"density_atomic": 0.16073093105465938,
"volume": 174.2041797199452,
"volume_molar": 3.7467217544780262,
"formula_full": "C12 N16",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -235.76583781,
"energy_per_atom": -8.420208493214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.98983781,
"band_gap": 3.7171,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.274000Z",
"spacegroup": 159
},
{
"id": "mp-1189451",
"created_at": "2022-09-04T14:42:14.506147Z",
"structure_string": "Be4 C4 N8\n1.0\n4.252275 0.000000 0.000000\n0.000000 4.410122 0.000000\n0.000000 0.000000 5.304701\nBe C N\n4 4 8\ndirect\n0.992454 0.585770 0.875113 Be\n0.492454 0.414230 0.124887 Be\n0.492454 0.914230 0.375113 Be\n0.992454 0.085770 0.624887 Be\n0.993420 0.567908 0.375067 C\n0.493420 0.432092 0.624933 C\n0.493420 0.932092 0.875067 C\n0.993420 0.067908 0.124933 C\n0.348281 0.558768 0.396842 N\n0.848281 0.441232 0.603158 N\n0.848281 0.941232 0.896842 N\n0.348281 0.058768 0.103158 N\n0.391145 0.607843 0.852303 N\n0.891145 0.392157 0.147697 N\n0.891145 0.892157 0.352303 N\n0.391145 0.107843 0.647697 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Be",
"C",
"N"
],
"chemical_system": "Be-C-N",
"density": 3.274113766819524,
"density_atomic": 0.16083743033254297,
"volume": 99.47933119124602,
"volume_molar": 3.7442408446521376,
"formula_full": "Be4 C4 N8",
"formula_reduced": "BeCN2",
"formula_anonymous": "ABC2",
"energy": -127.62570339,
"energy_per_atom": -7.976606461875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.73770339,
"band_gap": 5.5087,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.787000Z",
"spacegroup": 33
},
{
"id": "mp-15703",
"created_at": "2022-09-04T14:42:55.914098Z",
"structure_string": "Be2 C2 N4\n1.0\n-1.881831 1.881831 3.493033\n1.881831 -1.881831 3.493033\n1.881831 1.881831 -3.493033\nBe C N\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.170386 0.125000 0.545386 N\n0.875000 0.420386 0.045386 N\n0.375000 0.829614 0.954614 N\n0.579614 0.625000 0.454614 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"C",
"N"
],
"chemical_system": "Be-C-N",
"density": 3.2913397139121083,
"density_atomic": 0.16168363705067634,
"volume": 49.47934216430676,
"volume_molar": 3.724644540320729,
"formula_full": "Be2 C2 N4",
"formula_reduced": "BeCN2",
"formula_anonymous": "ABC2",
"energy": -63.784014330000005,
"energy_per_atom": -7.973001791250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.34001433,
"band_gap": 3.8512999999999993,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.692000Z",
"spacegroup": 122
},
{
"id": "mp-1104513",
"created_at": "2022-09-04T14:43:21.606129Z",
"structure_string": "C11 N4\n1.0\n3.492261 0.000000 0.000000\n0.000000 3.608419 0.000000\n0.000000 0.000000 7.351384\nC N\n11 4\ndirect\n0.500000 0.500000 0.744855 C\n0.500000 0.500000 0.255145 C\n0.000000 0.500000 0.500000 C\n0.000000 0.000000 0.721562 C\n0.000000 0.000000 0.278438 C\n0.768519 0.235629 0.860703 C\n0.231481 0.764371 0.860703 C\n0.768519 0.764371 0.139297 C\n0.231481 0.235629 0.139297 C\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.000000 C\n0.244600 0.267222 0.619062 N\n0.755400 0.732778 0.619062 N\n0.244600 0.732778 0.380938 N\n0.755400 0.267222 0.380938 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.372468182419163,
"density_atomic": 0.1619192544307812,
"volume": 92.63876648105703,
"volume_molar": 3.7192246105446354,
"formula_full": "C11 N4",
"formula_reduced": "C11N4",
"formula_anonymous": "A4B11",
"energy": -116.06827097,
"energy_per_atom": -7.737884731333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.62427097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.868000Z",
"spacegroup": 16
},
{
"id": "mp-1239206",
"created_at": "2022-09-04T14:40:19.612367Z",
"structure_string": "B8 C24\n1.0\n-3.667550 3.667550 3.667550\n3.667550 -3.667550 3.667550\n3.667550 3.667550 -3.667550\nB C\n8 24\ndirect\n0.205632 0.000000 0.000000 B\n0.000000 0.000000 0.515794 B\n0.000000 0.515794 0.000000 B\n0.000000 0.205632 0.000000 B\n0.515794 0.000000 0.000000 B\n0.000000 0.000000 0.205632 B\n0.484206 0.484206 0.484206 B\n0.794368 0.794368 0.794368 B\n0.732737 0.732737 0.000000 C\n0.506362 0.506362 0.248411 C\n0.000000 0.267263 0.267263 C\n0.000000 0.732737 0.732737 C\n0.506362 0.248411 0.506362 C\n0.493638 0.000000 0.742048 C\n0.257951 0.751589 0.257951 C\n0.267263 0.267263 0.000000 C\n0.500000 0.250000 0.750000 C\n0.248411 0.506362 0.506362 C\n0.751589 0.257951 0.257951 C\n0.742048 0.493638 0.000000 C\n0.500000 0.750000 0.250000 C\n0.000000 0.742048 0.493638 C\n0.000000 0.493638 0.742048 C\n0.257951 0.257951 0.751589 C\n0.742048 0.000000 0.493638 C\n0.493638 0.742048 0.000000 C\n0.267263 0.000000 0.267263 C\n0.750000 0.500000 0.250000 C\n0.250000 0.750000 0.500000 C\n0.250000 0.500000 0.750000 C\n0.732737 0.000000 0.732737 C\n0.750000 0.250000 0.500000 C\n",
"nsites": 32,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.1535272737108926,
"density_atomic": 0.16216676641254674,
"volume": 197.3277306312755,
"volume_molar": 3.713548030352827,
"formula_full": "B8 C24",
"formula_reduced": "BC3",
"formula_anonymous": "AB3",
"energy": -266.96170713,
"energy_per_atom": -8.3425533478125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.96170713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.663000Z",
"spacegroup": 217
},
{
"id": "mp-1183400",
"created_at": "2022-09-04T14:46:08.853909Z",
"structure_string": "Be2 H2\n1.0\n1.148271 -1.988863 0.000000\n1.148271 1.988863 0.000000\n0.000000 0.000000 5.368996\nBe H\n2 2\ndirect\n0.666667 0.333333 0.531681 Be\n0.333333 0.666667 0.031681 Be\n0.666667 0.333333 0.843319 H\n0.333333 0.666667 0.343319 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"H"
],
"chemical_system": "Be-H",
"density": 1.3569997300943968,
"density_atomic": 0.1631126524953399,
"volume": 24.522929023634628,
"volume_molar": 3.6920132606954277,
"formula_full": "Be2 H2",
"formula_reduced": "BeH",
"formula_anonymous": "AB",
"energy": -12.62337583,
"energy_per_atom": -3.1558439575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.26537583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.578000Z",
"spacegroup": 186
},
{
"id": "mp-1077595",
"created_at": "2022-09-04T14:44:04.690608Z",
"structure_string": "C2 N4\n1.0\n1.240151 -3.221199 0.000000\n1.240151 3.221199 0.000000\n0.000000 0.000000 4.579590\nC N\n2 4\ndirect\n0.113098 0.886902 0.279807 C\n0.886902 0.113098 0.779807 C\n0.075024 0.924976 0.952538 N\n0.924976 0.075024 0.452538 N\n0.261953 0.738047 0.820505 N\n0.738047 0.261953 0.320505 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.6328875118969104,
"density_atomic": 0.16398439917037375,
"volume": 36.58884644121677,
"volume_molar": 3.6723863919172084,
"formula_full": "C2 N4",
"formula_reduced": "CN2",
"formula_anonymous": "AB2",
"energy": -47.55872576,
"energy_per_atom": -7.926454293333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.11472576,
"band_gap": 1.1113,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.631000Z",
"spacegroup": 36
},
{
"id": "mp-1009818",
"created_at": "2022-09-04T14:47:34.594949Z",
"structure_string": "C1 N2\n1.0\n-1.234500 1.234500 2.995500\n1.234500 -1.234500 2.995500\n1.234500 1.234500 -2.995500\nC N\n1 2\ndirect\n0.250000 0.750000 0.500000 C\n0.611910 0.611910 0.000000 N\n0.388090 0.388090 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.639646195855029,
"density_atomic": 0.16428947845632053,
"volume": 18.2604511755,
"volume_molar": 3.6655669106656155,
"formula_full": "C1 N2",
"formula_reduced": "CN2",
"formula_anonymous": "AB2",
"energy": -23.710645510000003,
"energy_per_atom": -7.903548503333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.98864551,
"band_gap": 0.1347000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.458000Z",
"spacegroup": 119
}
]
}