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=formula_anonymous&page=62",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=60",
"results": [
{
"id": "mp-998864",
"created_at": "2022-09-04T14:44:20.031647Z",
"structure_string": "Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.423121443241446,
"density_atomic": 0.025799107900603573,
"volume": 38.76103018184613,
"volume_molar": 23.342437975768583,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.55302833,
"energy_per_atom": -1.55302833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55302833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.553000Z",
"spacegroup": 71
},
{
"id": "mp-1012110",
"created_at": "2022-09-04T14:46:10.006807Z",
"structure_string": "Cs4\n1.0\n5.354405 0.000000 0.000000\n0.000000 8.731849 0.000000\n0.000000 0.000000 10.022037\nCs\n4\ndirect\n0.732089 0.750000 0.391224 Cs\n0.267911 0.250000 0.608776 Cs\n0.732089 0.250000 0.108776 Cs\n0.267911 0.750000 0.891224 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8839893745320324,
"density_atomic": 0.008536631902981455,
"volume": 468.5688741719065,
"volume_molar": 70.54469290044874,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.39635312,
"energy_per_atom": -0.84908828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39635312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.978000Z",
"spacegroup": 57
},
{
"id": "mp-582819",
"created_at": "2022-09-04T14:42:58.453356Z",
"structure_string": "Pu8\n1.0\n3.059625 -5.299425 0.000000\n3.059625 5.299425 0.000000\n0.000000 0.000000 5.182756\nPu\n8\ndirect\n0.737358 0.657256 0.750000 Pu\n0.342744 0.080103 0.750000 Pu\n0.080103 0.737358 0.250000 Pu\n0.657256 0.919897 0.250000 Pu\n0.919897 0.262642 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.262642 0.342744 0.250000 Pu\n0.333333 0.666667 0.750000 Pu\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 19.285957305362466,
"density_atomic": 0.04759948755097521,
"volume": 168.06903627759954,
"volume_molar": 12.651692423265635,
"formula_full": "Pu8",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -113.28428353,
"energy_per_atom": -14.16053544125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.28428353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.1501701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.908000Z",
"spacegroup": 176
},
{
"id": "mp-1271142",
"created_at": "2022-09-04T14:43:52.078851Z",
"structure_string": "Co4\n1.0\n-1.243085 2.154006 0.000089\n-0.000286 0.000165 8.126579\n2.486967 0.000460 -0.000089\nCo\n4\ndirect\n0.666705 0.630029 0.333295 Co\n0.333296 0.870179 0.666704 Co\n0.666705 0.129832 0.333295 Co\n0.333294 0.369960 0.666706 Co\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.99079359563772,
"density_atomic": 0.09187322118841143,
"volume": 43.53825791953996,
"volume_molar": 6.55483794091636,
"formula_full": "Co4",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -28.39269147,
"energy_per_atom": -7.0981728675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.39269147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3527117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.828000Z",
"spacegroup": 164
},
{
"id": "mp-973986",
"created_at": "2022-09-04T14:44:55.030549Z",
"structure_string": "Ho4\n1.0\n1.770124 -3.065945 0.000000\n1.770124 3.065945 0.000000\n0.000000 0.000000 11.426988\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.832421234737389,
"density_atomic": 0.032250033799475386,
"volume": 124.03087776190388,
"volume_molar": 18.673285111713472,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -18.30788468,
"energy_per_atom": -4.57697117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30788468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.283000Z",
"spacegroup": 194
},
{
"id": "mp-655141",
"created_at": "2022-09-04T14:39:14.231552Z",
"structure_string": "S18\n1.0\n7.240188 -12.540373 0.000000\n7.240188 12.540373 0.000000\n0.000000 0.000000 4.925908\nS\n18\ndirect\n0.202070 0.653034 0.642949 S\n0.274032 0.464548 0.324691 S\n0.190515 0.725968 0.324691 S\n0.535452 0.809485 0.324691 S\n0.120788 0.378923 0.336764 S\n0.346966 0.549036 0.642949 S\n0.650047 0.062383 0.194181 S\n0.450964 0.797930 0.642949 S\n0.536110 0.480660 0.074399 S\n0.937617 0.587664 0.194181 S\n0.258135 0.879212 0.336764 S\n0.519340 0.055450 0.074399 S\n0.412336 0.349953 0.194181 S\n0.944550 0.463890 0.074399 S\n0.621077 0.741865 0.336764 S\n0.827329 0.569158 0.441015 S\n0.430842 0.258170 0.441015 S\n0.741830 0.172671 0.441015 S\n",
"nsites": 18,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.0714607269981216,
"density_atomic": 0.02012314772812868,
"volume": 894.4922654838493,
"volume_molar": 29.92643517486128,
"formula_full": "S18",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -68.02454049,
"energy_per_atom": -3.7791411383333338,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.02454049,
"band_gap": 0.8323,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028848,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.552000Z",
"spacegroup": 143
},
{
"id": "mp-20071",
"created_at": "2022-09-04T14:43:14.999259Z",
"structure_string": "Eu1\n1.0\n-2.319517 2.319517 2.319517\n2.319517 -2.319517 2.319517\n2.319517 2.319517 -2.319517\nEu\n1\ndirect\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.055186040663921,
"density_atomic": 0.020033061722108975,
"volume": 49.917482103915034,
"volume_molar": 30.06101036145573,
"formula_full": "Eu1",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -10.20868622,
"energy_per_atom": -10.20868622,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.20868622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1951804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.531000Z",
"spacegroup": 229
},
{
"id": "mp-1014212",
"created_at": "2022-09-04T14:40:19.364987Z",
"structure_string": "Si1\n1.0\n-1.545834 1.545834 1.545834\n1.545834 -1.545834 1.545834\n1.545834 1.545834 -1.545834\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.156332160571929,
"density_atomic": 0.06767861196292675,
"volume": 14.775716744128614,
"volume_molar": 8.898144606303141,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.89982253,
"energy_per_atom": -4.89982253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.89982253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.452000Z",
"spacegroup": 229
},
{
"id": "mp-684663",
"created_at": "2022-09-04T14:45:16.322623Z",
"structure_string": "I1\n1.0\n-2.072254 2.072254 2.072254\n2.072254 -2.072254 2.072254\n2.072254 2.072254 -2.072254\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.920209370234598,
"density_atomic": 0.02809383638617646,
"volume": 35.59499622102337,
"volume_molar": 21.435807759467085,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.07834603,
"energy_per_atom": -1.07834603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.07834603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007851,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.599000Z",
"spacegroup": 229
},
{
"id": "mp-560602",
"created_at": "2022-09-04T14:41:05.721641Z",
"structure_string": "O24\n1.0\n6.859829 0.000000 0.000000\n0.000000 7.128355 0.000000\n0.000000 0.000000 7.983573\nO\n24\ndirect\n0.757307 0.362980 0.003180 O\n0.446246 0.938678 0.698541 O\n0.257307 0.137020 0.996820 O\n0.742693 0.637020 0.503180 O\n0.257307 0.362980 0.496820 O\n0.155617 0.187281 0.123934 O\n0.655617 0.187281 0.376066 O\n0.053754 0.061322 0.198541 O\n0.946246 0.561322 0.301459 O\n0.053754 0.438678 0.698541 O\n0.553754 0.061322 0.301459 O\n0.757307 0.137020 0.503180 O\n0.242693 0.637020 0.996820 O\n0.946246 0.938678 0.801459 O\n0.446246 0.561322 0.198541 O\n0.655617 0.312719 0.876066 O\n0.344383 0.812719 0.623934 O\n0.742693 0.862980 0.003180 O\n0.844383 0.687281 0.376066 O\n0.155617 0.312719 0.623934 O\n0.242693 0.862980 0.496820 O\n0.553754 0.438678 0.801459 O\n0.844383 0.812719 0.876066 O\n0.344383 0.687281 0.123934 O\n",
"nsites": 24,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.6332930910367458,
"density_atomic": 0.06147681100514933,
"volume": 390.39110206919725,
"volume_molar": 9.795792367134306,
"formula_full": "O24",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -108.87989591000002,
"energy_per_atom": -4.536662329583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.87989591000002,
"band_gap": 1.3241,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.789000Z",
"spacegroup": 61
},
{
"id": "mp-1197020",
"created_at": "2022-09-04T14:43:34.611442Z",
"structure_string": "Ge34\n1.0\n0.000000 7.809953 7.809953\n7.809953 0.000000 7.809953\n7.809953 7.809953 0.000000\nGe\n34\ndirect\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ge\n0.353724 0.353724 0.938828 Ge\n0.353724 0.938828 0.353724 Ge\n0.938828 0.353724 0.353724 Ge\n0.353724 0.353724 0.353724 Ge\n0.896276 0.896276 0.311172 Ge\n0.896276 0.311172 0.896276 Ge\n0.311172 0.896276 0.896276 Ge\n0.896276 0.896276 0.896276 Ge\n0.995239 0.387266 0.622256 Ge\n0.995239 0.995239 0.622256 Ge\n0.387266 0.995239 0.622256 Ge\n0.995239 0.622256 0.387266 Ge\n0.387266 0.622256 0.995239 Ge\n0.995239 0.622256 0.995239 Ge\n0.622256 0.995239 0.995239 Ge\n0.622256 0.387266 0.995239 Ge\n0.622256 0.995239 0.387266 Ge\n0.387266 0.995239 0.995239 Ge\n0.995239 0.995239 0.387266 Ge\n0.995239 0.387266 0.995239 Ge\n0.254761 0.862734 0.627744 Ge\n0.254761 0.254761 0.627744 Ge\n0.862734 0.254761 0.627744 Ge\n0.254761 0.627744 0.862734 Ge\n0.862734 0.627744 0.254761 Ge\n0.254761 0.627744 0.254761 Ge\n0.627744 0.254761 0.254761 Ge\n0.627744 0.862734 0.254761 Ge\n0.627744 0.254761 0.862734 Ge\n0.862734 0.254761 0.254761 Ge\n0.254761 0.254761 0.862734 Ge\n0.254761 0.862734 0.254761 Ge\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 4.304558292269342,
"density_atomic": 0.03568647570846574,
"volume": 952.7418812033135,
"volume_molar": 16.875134460451626,
"formula_full": "Ge34",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -146.06889571,
"energy_per_atom": -4.296143991470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.06889571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.433000Z",
"spacegroup": 227
},
{
"id": "mp-976347",
"created_at": "2022-09-04T14:48:08.684692Z",
"structure_string": "Kr4\n1.0\n2.234396 -3.870087 0.000000\n2.234396 3.870087 0.000000\n0.000000 0.000000 15.054944\nKr\n4\ndirect\n0.000000 0.000000 0.000000 Kr\n0.333333 0.666667 0.250000 Kr\n0.000000 0.000000 0.500000 Kr\n0.666667 0.333333 0.750000 Kr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.1377293939629887,
"density_atomic": 0.015362785891887023,
"volume": 260.3694426355555,
"volume_molar": 39.199535828851516,
"formula_full": "Kr4",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.22298219,
"energy_per_atom": -0.0557455475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.22298219,
"band_gap": 7.56,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.266000Z",
"spacegroup": 194
}
]
}