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=-energy_uncorrected&page=145",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=143",
"results": [
{
"id": "mp-10149",
"created_at": "2022-09-04T14:44:08.342150Z",
"structure_string": "In1 Sb1\n1.0\n0.000000 3.073513 3.073513\n3.073513 0.000000 3.073513\n3.073513 3.073513 0.000000\nIn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 6.7653192376157785,
"density_atomic": 0.034442513462230276,
"volume": 58.067771453242045,
"volume_molar": 17.48461466554667,
"formula_full": "In1 Sb1",
"formula_reduced": "InSb",
"formula_anonymous": "AB",
"energy": -7.02290206,
"energy_per_atom": -3.51145103,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83090206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.328000Z",
"spacegroup": 225
},
{
"id": "mp-2559",
"created_at": "2022-09-04T14:44:08.477220Z",
"structure_string": "Se1 S1\n1.0\n0.000000 2.709731 2.709731\n2.709731 0.000000 2.709731\n2.709731 2.709731 0.000000\nSe S\n1 1\ndirect\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Se",
"S"
],
"chemical_system": "S-Se",
"density": 4.632989802013678,
"density_atomic": 0.05025988153481239,
"volume": 39.79316979915093,
"volume_molar": 11.982003490853392,
"formula_full": "Se1 S1",
"formula_reduced": "SeS",
"formula_anonymous": "AB",
"energy": -7.33571487,
"energy_per_atom": -3.667857435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83271487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.804000Z",
"spacegroup": 225
},
{
"id": "mp-1237637",
"created_at": "2022-09-04T14:47:16.771462Z",
"structure_string": "Tl1 C1\n1.0\n3.414231 0.000000 0.000000\n0.000000 3.414231 0.000000\n0.000000 0.000000 3.234631\nTl C\n1 1\ndirect\n0.000000 0.000000 0.127415 Tl\n0.500000 0.500000 0.162585 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"C"
],
"chemical_system": "C-Tl",
"density": 9.529799540720461,
"density_atomic": 0.05304194595842274,
"volume": 37.706007271447255,
"volume_molar": 11.353544164311947,
"formula_full": "Tl1 C1",
"formula_reduced": "TlC",
"formula_anonymous": "AB",
"energy": -6.83595236,
"energy_per_atom": -3.41797618,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83595236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005853,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.260000Z",
"spacegroup": 99
},
{
"id": "mp-730208",
"created_at": "2022-09-04T14:39:17.159588Z",
"structure_string": "Rb2 Pd1\n1.0\n2.896128 4.969618 0.000000\n-2.896128 4.969618 0.000000\n0.000000 3.250255 4.883198\nRb Pd\n2 1\ndirect\n0.249424 0.249424 0.255405 Rb\n0.750576 0.750576 0.744595 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Pd"
],
"chemical_system": "Pd-Rb",
"density": 3.276505846501684,
"density_atomic": 0.02134254301923045,
"volume": 140.56431781802596,
"volume_molar": 28.216603591117615,
"formula_full": "Rb2 Pd1",
"formula_reduced": "Rb2Pd",
"formula_anonymous": "AB2",
"energy": -6.836485640000001,
"energy_per_atom": -2.278828546666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.836485640000001,
"band_gap": 0.841,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.825000Z",
"spacegroup": 166
},
{
"id": "mp-1222646",
"created_at": "2022-09-04T14:39:07.493389Z",
"structure_string": "Li2 Mg1 Hg1\n1.0\n0.000000 3.364531 3.364531\n3.364531 0.000000 3.364531\n3.364531 3.364531 0.000000\nLi Mg Hg\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 5.205206827647472,
"density_atomic": 0.052511738085056464,
"volume": 76.17344513565627,
"volume_molar": 11.468180219526484,
"formula_full": "Li2 Mg1 Hg1",
"formula_reduced": "Li2MgHg",
"formula_anonymous": "ABC2",
"energy": -6.83670788,
"energy_per_atom": -1.70917697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83670788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.005000Z",
"spacegroup": 216
},
{
"id": "mp-1096107",
"created_at": "2022-09-04T14:41:12.900231Z",
"structure_string": "Li1 Mg1 Sn2\n1.0\n-5.522360 5.817565 8.280165\n5.522360 -5.817565 8.280165\n5.522360 5.817565 -8.280165\nLi Mg Sn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.248571 0.248571 Sn\n0.000000 0.751429 0.751429 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sn"
],
"chemical_system": "Li-Mg-Sn",
"density": 0.4192729704849251,
"density_atomic": 0.003759196691797404,
"volume": 1064.0571185668553,
"volume_molar": 160.1975436172403,
"formula_full": "Li1 Mg1 Sn2",
"formula_reduced": "LiMgSn2",
"formula_anonymous": "ABC2",
"energy": -6.83786388,
"energy_per_atom": -1.70946597,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83786388,
"band_gap": 0.4925000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0011559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.868000Z",
"spacegroup": 71
},
{
"id": "mp-1186151",
"created_at": "2022-09-04T14:40:04.037969Z",
"structure_string": "Na1 Li3\n1.0\n-2.277934 2.277934 4.714300\n2.277934 -2.277934 4.714300\n2.277934 2.277934 -4.714300\nNa Li\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Li"
],
"chemical_system": "Li-Na",
"density": 0.7435160041161369,
"density_atomic": 0.04087902325490679,
"volume": 97.84969604233076,
"volume_molar": 14.73161607225327,
"formula_full": "Na1 Li3",
"formula_reduced": "NaLi3",
"formula_anonymous": "AB3",
"energy": -6.83962404,
"energy_per_atom": -1.70990601,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83962404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.883000Z",
"spacegroup": 139
},
{
"id": "mp-1062711",
"created_at": "2022-09-04T14:45:09.390184Z",
"structure_string": "Rb2 Pd1\n1.0\n0.000000 4.123218 4.123218\n4.123218 0.000000 4.123218\n4.123218 4.123218 0.000000\nRb Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Pd"
],
"chemical_system": "Pd-Rb",
"density": 3.285089071090857,
"density_atomic": 0.02139845253034386,
"volume": 140.1970537704014,
"volume_molar": 28.14287973142153,
"formula_full": "Rb2 Pd1",
"formula_reduced": "Rb2Pd",
"formula_anonymous": "AB2",
"energy": -6.83979064,
"energy_per_atom": -2.2799302133333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83979064,
"band_gap": 0.5281,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.436000Z",
"spacegroup": 225
},
{
"id": "mp-1058887",
"created_at": "2022-09-04T14:47:25.463730Z",
"structure_string": "Tl1 C1\n1.0\n3.409594 0.000000 0.000000\n0.000000 3.409594 0.000000\n0.000000 0.000000 3.233774\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"C"
],
"chemical_system": "C-Tl",
"density": 9.558270371981367,
"density_atomic": 0.05320041186179032,
"volume": 37.593693920938286,
"volume_molar": 11.319725824012336,
"formula_full": "Tl1 C1",
"formula_reduced": "TlC",
"formula_anonymous": "AB",
"energy": -6.83986969,
"energy_per_atom": -3.419934845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83986969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.605000Z",
"spacegroup": 123
},
{
"id": "mp-568690",
"created_at": "2022-09-04T14:42:22.353762Z",
"structure_string": "Cd1 Br2\n1.0\n6.953715 -2.038673 0.000000\n6.953715 2.038673 0.000000\n6.356022 0.000000 3.480133\nCd Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.742852 0.742852 0.742852 Br\n0.257148 0.257148 0.257148 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 4.5811787353954125,
"density_atomic": 0.03040401647291773,
"volume": 98.67117400992858,
"volume_molar": 19.807056628074783,
"formula_full": "Cd1 Br2",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy": -7.909220169999999,
"energy_per_atom": -2.6364067233333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.84122017,
"band_gap": 2.8798,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.510000Z",
"spacegroup": 166
},
{
"id": "mp-1039056",
"created_at": "2022-09-04T14:47:08.519272Z",
"structure_string": "Mg2 Cd4\n1.0\n1.558158 -2.698809 0.000000\n1.558158 2.698809 0.000000\n0.000000 0.000000 16.126172\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.584470 Mg\n0.333333 0.666667 0.415530 Mg\n0.666667 0.333333 0.916476 Cd\n0.333333 0.666667 0.748552 Cd\n0.666667 0.333333 0.251448 Cd\n0.333333 0.666667 0.083524 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.1003529734261255,
"density_atomic": 0.04423910411679856,
"volume": 135.62661631119397,
"volume_molar": 13.612709570475369,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -6.84255171,
"energy_per_atom": -1.140425285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.84255171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.551000Z",
"spacegroup": 164
},
{
"id": "mp-1398032",
"created_at": "2022-09-04T14:44:29.316516Z",
"structure_string": "Sc1 N3 F6\n1.0\n6.495050 0.000000 0.000000\n-2.268629 6.126092 0.000000\n-1.783624 -3.113293 5.461797\nSc N F\n1 3 6\ndirect\n0.877612 0.994809 0.135569 Sc\n0.951334 0.527159 0.503189 N\n0.487716 0.262737 0.259439 N\n0.483462 0.758236 0.774755 N\n0.690601 0.376227 0.623363 F\n0.951350 0.214416 0.260001 F\n0.999365 0.738767 0.263080 F\n0.978312 0.654770 0.629232 F\n0.053153 0.176924 0.793258 F\n0.527095 0.795956 0.258113 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"N",
"F"
],
"chemical_system": "F-N-Sc",
"density": 1.5355750597792401,
"density_atomic": 0.04601489465436514,
"volume": 217.32093651661472,
"volume_molar": 13.08737269798078,
"formula_full": "Sc1 N3 F6",
"formula_reduced": "Sc(NF2)3",
"formula_anonymous": "AB3C6",
"energy": -9.61900167,
"energy_per_atom": -0.9619001669999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.84700167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0663568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.813000Z",
"spacegroup": 1
}
]
}