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=159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=157",
"results": [
{
"id": "mp-1093958",
"created_at": "2022-09-04T14:46:41.221129Z",
"structure_string": "Al2 Co1 Tc1\n1.0\n-4.865583 5.245422 7.415262\n4.865583 -5.245422 7.415262\n4.865583 5.245422 -7.415262\nAl Co Tc\n2 1 1\ndirect\n0.000000 0.247745 0.247745 Al\n0.000000 0.752255 0.752255 Al\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Tc"
],
"chemical_system": "Al-Co-Tc",
"density": 0.46261125025806615,
"density_atomic": 0.005283943690639424,
"volume": 757.0103381468755,
"volume_molar": 113.97057032739205,
"formula_full": "Al2 Co1 Tc1",
"formula_reduced": "Al2CoTc",
"formula_anonymous": "ABC2",
"energy": -14.23448042,
"energy_per_atom": -3.558620105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.23448042,
"band_gap": 0.0108000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.448412,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.717000Z",
"spacegroup": 71
},
{
"id": "mp-1093769",
"created_at": "2022-09-04T14:43:23.735102Z",
"structure_string": "Ti1 Cr1 Tc2\n1.0\n-4.767651 5.280029 7.515135\n4.767651 -5.280029 7.515135\n4.767651 5.280029 -7.515135\nTi Cr Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cr\n0.000000 0.223811 0.223811 Tc\n0.000000 0.776189 0.776189 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Tc"
],
"chemical_system": "Cr-Tc-Ti",
"density": 0.6492356486218054,
"density_atomic": 0.005285942672488122,
"volume": 756.7240599900753,
"volume_molar": 113.92747014347293,
"formula_full": "Ti1 Cr1 Tc2",
"formula_reduced": "TiCrTc2",
"formula_anonymous": "ABC2",
"energy": -23.90187479,
"energy_per_atom": -5.9754686975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.90187479,
"band_gap": 0.0045999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0206805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15Z",
"spacegroup": 71
},
{
"id": "mp-1096499",
"created_at": "2022-09-04T14:43:17.055814Z",
"structure_string": "Li1 Nb1 Ru2\n1.0\n-4.892404 5.228898 7.393107\n4.892404 -5.228898 7.393107\n4.892404 5.228898 -7.393107\nLi Nb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Nb\n0.000000 0.276792 0.276792 Ru\n0.000000 0.723208 0.723208 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nb",
"Ru"
],
"chemical_system": "Li-Nb-Ru",
"density": 0.6628548310962202,
"density_atomic": 0.005287380019240468,
"volume": 756.5183484909791,
"volume_molar": 113.89649955338524,
"formula_full": "Li1 Nb1 Ru2",
"formula_reduced": "LiNbRu2",
"formula_anonymous": "ABC2",
"energy": -18.6795717,
"energy_per_atom": -4.669892925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.6795717,
"band_gap": 0.2442999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.543000Z",
"spacegroup": 71
},
{
"id": "mp-1096337",
"created_at": "2022-09-04T14:47:30.453210Z",
"structure_string": "Ti2 Mo1 Rh1\n1.0\n-4.372150 5.473179 7.899211\n4.372150 -5.473179 7.899211\n4.372150 5.473179 -7.899211\nTi Mo Rh\n2 1 1\ndirect\n0.000000 0.245067 0.245067 Ti\n0.000000 0.754933 0.754933 Ti\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"Rh"
],
"chemical_system": "Mo-Rh-Ti",
"density": 0.6469537087964704,
"density_atomic": 0.0052903155866892105,
"volume": 756.0985605592734,
"volume_molar": 113.83329900303322,
"formula_full": "Ti2 Mo1 Rh1",
"formula_reduced": "Ti2MoRh",
"formula_anonymous": "ABC2",
"energy": -21.34064322,
"energy_per_atom": -5.335160805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.34064322,
"band_gap": 0.1575000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.469000Z",
"spacegroup": 71
},
{
"id": "mp-1097175",
"created_at": "2022-09-04T14:44:20.533407Z",
"structure_string": "Nb2 Mo1 Rh1\n1.0\n-4.511167 5.440693 7.699806\n4.511167 -5.440693 7.699806\n4.511167 5.440693 -7.699806\nNb Mo Rh\n2 1 1\ndirect\n0.000000 0.243909 0.243909 Nb\n0.000000 0.756091 0.756091 Nb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Mo",
"Rh"
],
"chemical_system": "Mo-Nb-Rh",
"density": 0.8449699424142559,
"density_atomic": 0.005291479177331308,
"volume": 755.932295290133,
"volume_molar": 113.80826718167665,
"formula_full": "Nb2 Mo1 Rh1",
"formula_reduced": "Nb2MoRh",
"formula_anonymous": "ABC2",
"energy": -22.97436204,
"energy_per_atom": -5.74359051,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.97436204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3188887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.175000Z",
"spacegroup": 71
},
{
"id": "mp-1093810",
"created_at": "2022-09-04T14:42:13.506624Z",
"structure_string": "Mn1 Al2 Ir1\n1.0\n-4.981722 5.170475 7.333085\n4.981722 -5.170475 7.333085\n4.981722 5.170475 -7.333085\nMn Al Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.264403 0.264403 Al\n0.000000 0.735597 0.735597 Al\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Mn",
"density": 0.6618039416123703,
"density_atomic": 0.005294236645966718,
"volume": 755.5385728832691,
"volume_molar": 113.74899088781413,
"formula_full": "Mn1 Al2 Ir1",
"formula_reduced": "MnAl2Ir",
"formula_anonymous": "ABC2",
"energy": -15.98822876,
"energy_per_atom": -3.99705719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.98822876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4135064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.509000Z",
"spacegroup": 71
},
{
"id": "mp-1096294",
"created_at": "2022-09-04T14:39:27.157719Z",
"structure_string": "Ta2 Re1 Os1\n1.0\n-4.570900 5.403399 7.644096\n4.570900 -5.403399 7.644096\n4.570900 5.403399 -7.644096\nTa Re Os\n2 1 1\ndirect\n0.000000 0.250371 0.250371 Ta\n0.000000 0.749629 0.749629 Ta\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Re",
"Os"
],
"chemical_system": "Os-Re-Ta",
"density": 1.6234777987057103,
"density_atomic": 0.00529669675116103,
"volume": 755.1876552349735,
"volume_molar": 113.69615900098403,
"formula_full": "Ta2 Re1 Os1",
"formula_reduced": "Ta2ReOs",
"formula_anonymous": "ABC2",
"energy": -28.41718316,
"energy_per_atom": -7.10429579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.41718316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0019962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.647000Z",
"spacegroup": 71
},
{
"id": "mp-1212351",
"created_at": "2022-09-04T14:42:12.935238Z",
"structure_string": "Na3 Cr1 O6\n1.0\n4.055221 -7.162634 0.000000\n4.055221 7.162634 0.000000\n0.000000 0.000000 32.489206\nNa Cr O\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.230228 O\n0.000000 0.000000 0.769772 O\n0.220360 0.964652 0.000000 O\n0.779640 0.035348 0.000000 O\n0.964652 0.220360 0.000000 O\n0.035348 0.779640 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Cr",
"O"
],
"chemical_system": "Cr-Na-O",
"density": 0.19088684846658918,
"density_atomic": 0.005298386303747944,
"volume": 1887.3671013618343,
"volume_molar": 113.65990350194156,
"formula_full": "Na3 Cr1 O6",
"formula_reduced": "Na3CrO6",
"formula_anonymous": "AB3C6",
"energy": -44.44724249,
"energy_per_atom": -4.444724249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.65824249,
"band_gap": 0.0815999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3197154,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.213000Z",
"spacegroup": 65
},
{
"id": "mp-1097185",
"created_at": "2022-09-04T14:40:31.969796Z",
"structure_string": "Li1 Zn2 Co1\n1.0\n-5.068549 5.093245 7.310917\n5.068549 -5.093245 7.310917\n5.068549 5.093245 -7.310917\nLi Zn Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.259642 0.259642 Zn\n0.000000 0.740358 0.740358 Zn\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Co"
],
"chemical_system": "Co-Li-Zn",
"density": 0.43263949471197255,
"density_atomic": 0.005298463289590418,
"volume": 754.9358712852775,
"volume_molar": 113.65825204132958,
"formula_full": "Li1 Zn2 Co1",
"formula_reduced": "LiZn2Co",
"formula_anonymous": "ABC2",
"energy": -5.91726899,
"energy_per_atom": -1.4793172475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.91726899,
"band_gap": 0.7496,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.410000Z",
"spacegroup": 71
},
{
"id": "mp-1096530",
"created_at": "2022-09-04T14:44:15.561819Z",
"structure_string": "V1 Tc2 W1\n1.0\n-4.651855 5.363245 7.561738\n4.651855 -5.363245 7.561738\n4.651855 5.363245 -7.561738\nV Tc W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.251059 0.251059 Tc\n0.000000 0.748941 0.748941 Tc\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Tc",
"W"
],
"chemical_system": "Tc-V-W",
"density": 0.9479178878908125,
"density_atomic": 0.00530059434007552,
"volume": 754.6323569335831,
"volume_molar": 113.61255688761499,
"formula_full": "V1 Tc2 W1",
"formula_reduced": "VTc2W",
"formula_anonymous": "ABC2",
"energy": -26.21804368,
"energy_per_atom": -6.55451092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.21804368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.955000Z",
"spacegroup": 71
},
{
"id": "mp-1095728",
"created_at": "2022-09-04T14:41:46.877501Z",
"structure_string": "Li1 P1 Pd2\n1.0\n-4.813179 5.311178 7.379070\n4.813179 -5.311178 7.379070\n4.813179 5.311178 -7.379070\nLi P Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 P\n0.000000 0.277948 0.277948 Pd\n0.000000 0.722052 0.722052 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"P",
"Pd"
],
"chemical_system": "Li-P-Pd",
"density": 0.55184078566838,
"density_atomic": 0.005301215997728368,
"volume": 754.543863467183,
"volume_molar": 113.59923388483995,
"formula_full": "Li1 P1 Pd2",
"formula_reduced": "LiPPd2",
"formula_anonymous": "ABC2",
"energy": -11.81093038,
"energy_per_atom": -2.952732595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.81093038,
"band_gap": 0.2112000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.361000Z",
"spacegroup": 71
},
{
"id": "mp-1095709",
"created_at": "2022-09-04T14:46:58.276381Z",
"structure_string": "Tc2 Ge1 W1\n1.0\n-4.600282 5.381483 7.617381\n4.600282 -5.381483 7.617381\n4.600282 5.381483 -7.617381\nTc Ge W\n2 1 1\ndirect\n0.000000 0.257673 0.257673 Tc\n0.000000 0.742327 0.742327 Tc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tc",
"Ge",
"W"
],
"chemical_system": "Ge-Tc-W",
"density": 0.9960849719567528,
"density_atomic": 0.005302832312692003,
"volume": 754.3138768363929,
"volume_molar": 113.56460858825155,
"formula_full": "Tc2 Ge1 W1",
"formula_reduced": "Tc2GeW",
"formula_anonymous": "ABC2",
"energy": -23.7126256,
"energy_per_atom": -5.9281564,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.7126256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9996689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.923000Z",
"spacegroup": 71
}
]
}