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=id&page=1766",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=1764",
"results": [
{
"id": "mp-1104471",
"created_at": "2022-09-04T14:41:30.179637Z",
"structure_string": "Mo2 Br8 N4\n1.0\n-5.336222 5.336222 4.317317\n5.336222 -5.336222 4.317317\n5.336222 5.336222 -4.317317\nMo Br N\n2 8 4\ndirect\n0.850662 0.850662 0.000000 Mo\n0.149338 0.149338 0.000000 Mo\n0.787581 0.012350 0.224768 Br\n0.787581 0.562813 0.775232 Br\n0.562813 0.787581 0.775232 Br\n0.012350 0.787581 0.224768 Br\n0.212419 0.987650 0.775232 Br\n0.212419 0.437187 0.224768 Br\n0.437187 0.212419 0.224768 Br\n0.987650 0.212419 0.775232 Br\n0.270573 0.270573 0.541147 N\n0.729427 0.729427 0.458853 N\n0.729427 0.270573 0.000000 N\n0.270573 0.729427 0.000000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mo",
"Br",
"N"
],
"chemical_system": "Br-Mo-N",
"density": 2.995704447175998,
"density_atomic": 0.02846992534593322,
"volume": 491.74698668466397,
"volume_molar": 21.152639800863515,
"formula_full": "Mo2 Br8 N4",
"formula_reduced": "Mo(Br2N)2",
"formula_anonymous": "AB2C4",
"energy": -56.72890352,
"energy_per_atom": -4.052064537142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.01290352,
"band_gap": 0.1749,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0095188,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.719000Z",
"spacegroup": 139
},
{
"id": "mp-1104473",
"created_at": "2022-09-04T14:43:34.039844Z",
"structure_string": "K1 Cr5 Se8\n1.0\n1.847595 9.488091 0.000000\n-1.847595 9.488091 0.000000\n0.000000 2.362649 8.800211\nK Cr Se\n1 5 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.341141 0.341141 0.980585 Cr\n0.658859 0.658859 0.019415 Cr\n0.295730 0.295730 0.333726 Cr\n0.704270 0.704270 0.666274 Cr\n0.574932 0.574932 0.844887 Se\n0.425068 0.425068 0.155113 Se\n0.086158 0.086158 0.170662 Se\n0.913842 0.913842 0.829338 Se\n0.171148 0.171148 0.511061 Se\n0.828852 0.828852 0.488939 Se\n0.239044 0.239044 0.843300 Se\n0.760956 0.760956 0.156700 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Cr",
"Se"
],
"chemical_system": "Cr-K-Se",
"density": 5.009305838755182,
"density_atomic": 0.04537528179568968,
"volume": 308.5380287672373,
"volume_molar": 13.271853136065944,
"formula_full": "K1 Cr5 Se8",
"formula_reduced": "KCr5Se8",
"formula_anonymous": "AB5C8",
"energy": -90.10927276,
"energy_per_atom": -6.436376625714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.33327276,
"band_gap": 0.0037000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0037318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.845000Z",
"spacegroup": 12
},
{
"id": "mp-1104474",
"created_at": "2022-09-04T14:48:18.804581Z",
"structure_string": "Ce1 Al8 Cr4\n1.0\n0.000000 0.000000 5.023670\n-4.505839 4.505839 2.511835\n-4.505839 -4.505839 2.511835\nCe Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.342643 0.657357 Al\n0.000000 0.657357 0.342643 Al\n0.657357 0.342643 0.342643 Al\n0.342643 0.657357 0.657357 Al\n0.500000 0.776111 0.223889 Al\n0.500000 0.223889 0.776111 Al\n0.723889 0.776111 0.776111 Al\n0.276111 0.223889 0.223889 Al\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Cr"
],
"chemical_system": "Al-Ce-Cr",
"density": 4.590810286879607,
"density_atomic": 0.06372955910426283,
"volume": 203.98697531755622,
"volume_molar": 9.449525219761302,
"formula_full": "Ce1 Al8 Cr4",
"formula_reduced": "Ce(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy": -77.11312258,
"energy_per_atom": -5.93177866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.11312258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4652851,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:11.665000Z",
"spacegroup": 139
},
{
"id": "mp-1104479",
"created_at": "2022-09-04T14:43:53.913031Z",
"structure_string": "Mg3 Si2 O9\n1.0\n4.700815 2.699836 0.000000\n-4.700815 2.699836 0.000000\n0.000000 0.436030 7.323153\nMg Si O\n3 2 9\ndirect\n0.901523 0.901523 0.546594 Mg\n0.190029 0.546208 0.549601 Mg\n0.546208 0.190029 0.549601 Mg\n0.847618 0.180615 0.934768 Si\n0.180615 0.847618 0.934768 Si\n0.007081 0.007081 0.006221 O\n0.009119 0.508057 0.006574 O\n0.508057 0.009119 0.006574 O\n0.866539 0.199074 0.709127 O\n0.199074 0.866539 0.709127 O\n0.537244 0.537244 0.654667 O\n0.253242 0.253242 0.424133 O\n0.555381 0.863270 0.424122 O\n0.863270 0.555381 0.424122 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.4395026740339425,
"density_atomic": 0.07531637139184542,
"volume": 185.88256100606293,
"volume_molar": 7.995792480055702,
"formula_full": "Mg3 Si2 O9",
"formula_reduced": "Mg3Si2O9",
"formula_anonymous": "A2B3C9",
"energy": -94.48944452,
"energy_per_atom": -6.749246037142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.30644452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000198,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.727000Z",
"spacegroup": 8
},
{
"id": "mp-1104481",
"created_at": "2022-09-04T14:47:22.179467Z",
"structure_string": "Co1 Re2 O12\n1.0\n6.149010 0.050082 2.223259\n1.296773 6.298056 2.974573\n0.089853 0.068807 7.158962\nCo Re O\n1 2 12\ndirect\n0.500000 0.000000 0.000000 Co\n0.905654 0.678912 0.717526 Re\n0.094346 0.321088 0.282474 Re\n0.187090 0.689831 0.612330 O\n0.812910 0.310169 0.387670 O\n0.520585 0.264305 0.820184 O\n0.479415 0.735695 0.179816 O\n0.875480 0.425639 0.908234 O\n0.124520 0.574361 0.091766 O\n0.771658 0.891933 0.826531 O\n0.228342 0.108067 0.173469 O\n0.346887 0.915999 0.899498 O\n0.653113 0.084001 0.100502 O\n0.795683 0.720947 0.511268 O\n0.204317 0.279053 0.488732 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Co",
"Re",
"O"
],
"chemical_system": "Co-O-Re",
"density": 3.7711431672677453,
"density_atomic": 0.054650002814066505,
"volume": 274.4739108437724,
"volume_molar": 11.019470173659252,
"formula_full": "Co1 Re2 O12",
"formula_reduced": "Co(ReO6)2",
"formula_anonymous": "AB2C12",
"energy": -107.85733209,
"energy_per_atom": -7.190488806,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.97533209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.696000Z",
"spacegroup": 2
},
{
"id": "mp-1104484",
"created_at": "2022-09-04T14:46:30.425077Z",
"structure_string": "Ni1 S2 O12\n1.0\n-2.537733 -4.836424 -3.308967\n6.938709 -0.166241 -3.156200\n4.149406 -5.037133 3.073479\nNi S O\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ni\n0.492199 0.691825 0.568194 S\n0.507801 0.308175 0.431806 S\n0.327867 0.586166 0.733818 O\n0.672133 0.413834 0.266182 O\n0.436429 0.782316 0.369588 O\n0.563571 0.217684 0.630412 O\n0.713358 0.703530 0.595209 O\n0.286642 0.296470 0.404791 O\n0.080435 0.206412 0.071637 O\n0.919565 0.793588 0.928363 O\n0.952533 0.078678 0.740583 O\n0.047467 0.921322 0.259417 O\n0.768759 0.083306 0.077768 O\n0.231241 0.916694 0.922232 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ni",
"S",
"O"
],
"chemical_system": "Ni-O-S",
"density": 1.6260536390635998,
"density_atomic": 0.046657338001357226,
"volume": 321.492837837505,
"volume_molar": 12.907167485262063,
"formula_full": "Ni1 S2 O12",
"formula_reduced": "Ni(SO6)2",
"formula_anonymous": "AB2C12",
"energy": -80.3437837,
"energy_per_atom": -5.356252246666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.5587837,
"band_gap": 0.8359999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0006146,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.892000Z",
"spacegroup": 2
},
{
"id": "mp-1104485",
"created_at": "2022-09-04T14:41:09.374947Z",
"structure_string": "Y1 Ga6 Fe6\n1.0\n-5.050480 0.000000 0.000000\n-2.525240 -4.268609 4.344637\n-2.525240 4.268609 4.344637\nY Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.665939 0.334061 Ga\n0.000000 0.334061 0.665939 Ga\n0.343573 0.656427 0.656427 Ga\n0.656427 0.343573 0.343573 Ga\n0.318524 0.181476 0.181476 Ga\n0.681476 0.818524 0.818524 Ga\n0.500000 0.245023 0.754977 Fe\n0.500000 0.754977 0.245023 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Y",
"density": 7.4665592507042,
"density_atomic": 0.069397021147174,
"volume": 187.3279253936592,
"volume_molar": 8.677808730764571,
"formula_full": "Y1 Ga6 Fe6",
"formula_reduced": "Y(GaFe)6",
"formula_anonymous": "AB6C6",
"energy": -79.62440437,
"energy_per_atom": -6.124954182307691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.62440437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.1319041,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.991000Z",
"spacegroup": 71
},
{
"id": "mp-1104486",
"created_at": "2022-09-04T14:45:36.832656Z",
"structure_string": "Tm6 Ge8\n1.0\n2.009217 -5.293797 0.000000\n2.009217 5.293797 0.000000\n0.000000 0.000000 14.199316\nTm Ge\n6 8\ndirect\n0.668187 0.331813 0.402838 Tm\n0.331813 0.668187 0.597162 Tm\n0.668187 0.331813 0.097162 Tm\n0.331813 0.668187 0.902838 Tm\n0.951644 0.048356 0.250000 Tm\n0.048356 0.951644 0.750000 Tm\n0.620942 0.379058 0.608403 Ge\n0.379058 0.620942 0.391597 Ge\n0.620942 0.379058 0.891597 Ge\n0.379058 0.620942 0.108403 Ge\n0.222386 0.777614 0.250000 Ge\n0.777614 0.222386 0.750000 Ge\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tm",
"Ge"
],
"chemical_system": "Ge-Tm",
"density": 8.766846919493341,
"density_atomic": 0.04634858587762549,
"volume": 302.0588381480355,
"volume_molar": 12.993148865210909,
"formula_full": "Tm6 Ge8",
"formula_reduced": "Tm3Ge4",
"formula_anonymous": "A3B4",
"energy": -74.39309112,
"energy_per_atom": -5.313792222857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.39309112,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043921,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.761000Z",
"spacegroup": 63
},
{
"id": "mp-1104487",
"created_at": "2022-09-04T14:46:39.688394Z",
"structure_string": "Dy3 Ga8 Rh3\n1.0\n-2.112771 4.946772 6.157043\n2.112771 -4.946772 6.157043\n2.112771 4.946772 -6.157043\nDy Ga Rh\n3 8 3\ndirect\n0.500000 0.500000 0.000000 Dy\n0.170583 0.170583 0.000000 Dy\n0.829417 0.829417 0.000000 Dy\n0.092080 0.376386 0.715694 Ga\n0.907920 0.623614 0.284306 Ga\n0.660692 0.376386 0.284306 Ga\n0.339308 0.623614 0.715694 Ga\n0.796470 0.167545 0.628925 Ga\n0.203530 0.832455 0.371075 Ga\n0.538620 0.167545 0.371075 Ga\n0.461380 0.832455 0.628925 Ga\n0.000000 0.500000 0.500000 Rh\n0.781563 0.000000 0.781563 Rh\n0.218437 0.000000 0.218437 Rh\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Dy",
"Ga",
"Rh"
],
"chemical_system": "Dy-Ga-Rh",
"density": 8.73497010970884,
"density_atomic": 0.054390310324503525,
"volume": 257.39878880030625,
"volume_molar": 11.07208384006397,
"formula_full": "Dy3 Ga8 Rh3",
"formula_reduced": "Dy3Ga8Rh3",
"formula_anonymous": "A3B3C8",
"energy": -70.04374594,
"energy_per_atom": -5.00312471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.04374594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.69e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.630000Z",
"spacegroup": 71
},
{
"id": "mp-1104488",
"created_at": "2022-09-04T14:47:10.347324Z",
"structure_string": "Sr2 Cu8 Sn4\n1.0\n-4.104990 4.104990 3.916972\n4.104990 -4.104990 3.916972\n4.104990 4.104990 -3.916972\nSr Cu Sn\n2 8 4\ndirect\n0.750000 0.750000 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.474565 0.974565 0.771131 Cu\n0.203434 0.703434 0.228869 Cu\n0.703434 0.474565 0.500000 Cu\n0.974565 0.203434 0.500000 Cu\n0.525435 0.025435 0.228869 Cu\n0.796566 0.296566 0.771131 Cu\n0.296566 0.525435 0.500000 Cu\n0.025435 0.796566 0.500000 Cu\n0.160624 0.660624 0.821248 Sn\n0.839376 0.339376 0.178752 Sn\n0.339376 0.160624 0.500000 Sn\n0.660624 0.839376 0.500000 Sn\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Sr",
"density": 7.286030354068562,
"density_atomic": 0.05302654978436263,
"volume": 264.01868605316196,
"volume_molar": 11.35684064773136,
"formula_full": "Sr2 Cu8 Sn4",
"formula_reduced": "Sr(Cu2Sn)2",
"formula_anonymous": "AB2C4",
"energy": -55.281393,
"energy_per_atom": -3.9486709285714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.281393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009079,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.211000Z",
"spacegroup": 140
},
{
"id": "mp-1104490",
"created_at": "2022-09-04T14:41:15.291859Z",
"structure_string": "Pr1 Al8 Cr4\n1.0\n0.000000 0.000000 5.063879\n-4.509272 4.509272 2.531940\n-4.509272 -4.509272 2.531940\nPr Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.341369 0.658631 Al\n0.000000 0.658631 0.341369 Al\n0.658631 0.341369 0.341369 Al\n0.341369 0.658631 0.658631 Al\n0.500000 0.773393 0.226607 Al\n0.500000 0.226607 0.773393 Al\n0.726607 0.773393 0.773393 Al\n0.273393 0.226607 0.226607 Al\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Pr",
"density": 4.553809071111267,
"density_atomic": 0.06312729369194385,
"volume": 205.93311133277723,
"volume_molar": 9.539678335313353,
"formula_full": "Pr1 Al8 Cr4",
"formula_reduced": "Pr(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy": -75.77119168,
"energy_per_atom": -5.828553206153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.77119168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.780994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.002000Z",
"spacegroup": 139
},
{
"id": "mp-1104491",
"created_at": "2022-09-04T14:41:19.570284Z",
"structure_string": "Nd4 Fe3 B6\n1.0\n-2.691689 -4.662141 0.000000\n-5.383377 0.000000 0.000000\n-2.691689 -1.554047 -7.523011\nNd Fe B\n4 3 6\ndirect\n0.742795 0.742795 0.771614 Nd\n0.257205 0.257205 0.228386 Nd\n0.589341 0.589341 0.231976 Nd\n0.410659 0.410659 0.768024 Nd\n0.000000 0.000000 0.000000 Fe\n0.883908 0.883908 0.348275 Fe\n0.116092 0.116092 0.651725 Fe\n0.500000 0.166473 0.500000 B\n0.833527 0.500000 0.500000 B\n0.166473 0.833527 0.500000 B\n0.166473 0.500000 0.500000 B\n0.833527 0.166473 0.500000 B\n0.500000 0.833527 0.500000 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"B"
],
"chemical_system": "B-Fe-Nd",
"density": 7.118094807721841,
"density_atomic": 0.06885119093629928,
"volume": 188.81300124536008,
"volume_molar": 8.746603621673952,
"formula_full": "Nd4 Fe3 B6",
"formula_reduced": "Nd4(FeB2)3",
"formula_anonymous": "A3B4C6",
"energy": -88.37329031,
"energy_per_atom": -6.797945408461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.37329031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1452133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.091000Z",
"spacegroup": 166
}
]
}