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=12171",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12169",
"results": [
{
"id": "mp-1207317",
"created_at": "2022-09-04T14:45:18.714773Z",
"structure_string": "U2 P3\n1.0\n8.250859 0.000000 0.000000\n0.000000 8.250859 0.000000\n0.000000 0.000000 31.371657\nU P\n2 3\ndirect\n0.500000 0.500000 0.284012 U\n0.500000 0.500000 0.715988 U\n0.500000 0.500000 0.641843 P\n0.500000 0.500000 0.358157 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 5,
"nelements": 2,
"elements": [
"U",
"P"
],
"chemical_system": "P-U",
"density": 0.44239440632105526,
"density_atomic": 0.002341176819261537,
"volume": 2135.6780738915395,
"volume_molar": 257.22707958041065,
"formula_full": "U2 P3",
"formula_reduced": "U2P3",
"formula_anonymous": "A2B3",
"energy": -22.87982689,
"energy_per_atom": -4.575965378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.87982689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7260956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.068000Z",
"spacegroup": 123
},
{
"id": "mp-1096362",
"created_at": "2022-09-04T14:44:15.486089Z",
"structure_string": "Sr2 Hg1 Bi1\n1.0\n-6.507911 6.826426 9.615261\n6.507911 -6.826426 9.615261\n6.507911 6.826426 -9.615261\nSr Hg Bi\n2 1 1\ndirect\n0.000000 0.269462 0.269462 Sr\n0.000000 0.730538 0.730538 Sr\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Sr",
"density": 0.5683398709065209,
"density_atomic": 0.0023410135683647783,
"volume": 1708.6616045519295,
"volume_molar": 257.24501734547937,
"formula_full": "Sr2 Hg1 Bi1",
"formula_reduced": "Sr2HgBi",
"formula_anonymous": "ABC2",
"energy": -4.95607273,
"energy_per_atom": -1.2390181825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.95607273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.115000Z",
"spacegroup": 71
},
{
"id": "mp-1097602",
"created_at": "2022-09-04T14:41:10.758351Z",
"structure_string": "La2 Mg1 Al1\n1.0\n-6.137076 7.376686 9.443863\n6.137076 -7.376686 9.443863\n6.137076 7.376686 -9.443863\nLa Mg Al\n2 1 1\ndirect\n0.000000 0.267876 0.267876 La\n0.000000 0.732124 0.732124 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Al"
],
"chemical_system": "Al-La-Mg",
"density": 0.319551737941436,
"density_atomic": 0.0023389854639269013,
"volume": 1710.1431632176273,
"volume_molar": 257.46807121620515,
"formula_full": "La2 Mg1 Al1",
"formula_reduced": "La2MgAl",
"formula_anonymous": "ABC2",
"energy": -6.27040001,
"energy_per_atom": -1.5676000025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.27040001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0014806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.302000Z",
"spacegroup": 71
},
{
"id": "mp-1096735",
"created_at": "2022-09-04T14:46:24.702067Z",
"structure_string": "Ba1 Mg1 Hg2\n1.0\n-6.697990 6.721994 9.506921\n6.697990 -6.721994 9.506921\n6.697990 6.721994 -9.506921\nBa Mg Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.228745 0.228745 Hg\n0.000000 0.771255 0.771255 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Hg"
],
"chemical_system": "Ba-Hg-Mg",
"density": 0.5458457767222724,
"density_atomic": 0.0023362402378122914,
"volume": 1712.1526867227026,
"volume_molar": 257.77061205140745,
"formula_full": "Ba1 Mg1 Hg2",
"formula_reduced": "BaMgHg2",
"formula_anonymous": "ABC2",
"energy": -1.08674815,
"energy_per_atom": -0.2716870375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.08674815,
"band_gap": 0.1452,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.61e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.979000Z",
"spacegroup": 71
},
{
"id": "mp-1095841",
"created_at": "2022-09-04T14:43:07.154275Z",
"structure_string": "Sr2 Mg1 Hg1\n1.0\n-6.381329 7.448308 9.015115\n6.381329 -7.448308 9.015115\n6.381329 7.448308 -9.015115\nSr Mg Hg\n2 1 1\ndirect\n0.743375 0.000000 0.743375 Sr\n0.256625 0.000000 0.256625 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Sr",
"density": 0.3876641252406366,
"density_atomic": 0.002333780279763739,
"volume": 1713.9574083661987,
"volume_molar": 258.04231924565124,
"formula_full": "Sr2 Mg1 Hg1",
"formula_reduced": "Sr2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.11959138,
"energy_per_atom": -0.279897845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.11959138,
"band_gap": 0.4559999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.160000Z",
"spacegroup": 71
},
{
"id": "mp-1096184",
"created_at": "2022-09-04T14:42:06.741053Z",
"structure_string": "Rb2 Hg1 Te1\n1.0\n-6.598444 7.097084 9.167750\n6.598444 -7.097084 9.167750\n6.598444 7.097084 -9.167750\nRb Hg Te\n2 1 1\ndirect\n0.776602 0.000000 0.776602 Rb\n0.223398 0.000000 0.223398 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Hg",
"Te"
],
"chemical_system": "Hg-Rb-Te",
"density": 0.4826304389108661,
"density_atomic": 0.0023292481404970857,
"volume": 1717.2923444499816,
"volume_molar": 258.54440560870484,
"formula_full": "Rb2 Hg1 Te1",
"formula_reduced": "Rb2HgTe",
"formula_anonymous": "ABC2",
"energy": -6.01741029,
"energy_per_atom": -1.5043525725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.59541029,
"band_gap": 0.2839999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.498000Z",
"spacegroup": 71
},
{
"id": "mp-1093799",
"created_at": "2022-09-04T14:46:10.279084Z",
"structure_string": "Na1 Ca2 Al1\n1.0\n-6.526372 6.809046 9.661957\n6.526372 -6.809046 9.661957\n6.526372 6.809046 -9.661957\nNa Ca Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.276054 0.276054 Ca\n0.000000 0.723946 0.723946 Ca\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Al"
],
"chemical_system": "Al-Ca-Na",
"density": 0.125815560858103,
"density_atomic": 0.002329039245924897,
"volume": 1717.446370643505,
"volume_molar": 258.56759479415797,
"formula_full": "Na1 Ca2 Al1",
"formula_reduced": "NaCa2Al",
"formula_anonymous": "ABC2",
"energy": -3.51348858,
"energy_per_atom": -0.878372145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51348858,
"band_gap": 0.1318999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.034000Z",
"spacegroup": 71
},
{
"id": "mp-1096204",
"created_at": "2022-09-04T14:41:51.209315Z",
"structure_string": "Na1 Sr1 Pb2\n1.0\n-6.362609 6.946207 9.744699\n6.362609 -6.946207 9.744699\n6.362609 6.946207 -9.744699\nNa Sr Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.247288 0.247288 Pb\n0.000000 0.752712 0.752712 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Pb"
],
"chemical_system": "Na-Pb-Sr",
"density": 0.5060636053145533,
"density_atomic": 0.002321927281429428,
"volume": 1722.7068358219703,
"volume_molar": 259.3595763383529,
"formula_full": "Na1 Sr1 Pb2",
"formula_reduced": "NaSrPb2",
"formula_anonymous": "ABC2",
"energy": -6.12316045,
"energy_per_atom": -1.5307901125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12316045,
"band_gap": 0.1356000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0003379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.114000Z",
"spacegroup": 71
},
{
"id": "mp-1096037",
"created_at": "2022-09-04T14:43:09.257306Z",
"structure_string": "Ba1 Sr1 In2\n1.0\n-6.694373 6.768286 9.510016\n6.694373 -6.768286 9.510016\n6.694373 6.768286 -9.510016\nBa Sr In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.249711 0.249711 In\n0.000000 0.750289 0.750289 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"In"
],
"chemical_system": "Ba-In-Sr",
"density": 0.43795797608788983,
"density_atomic": 0.002320759535554503,
"volume": 1723.5736571235386,
"volume_molar": 259.49007933564815,
"formula_full": "Ba1 Sr1 In2",
"formula_reduced": "BaSrIn2",
"formula_anonymous": "ABC2",
"energy": -4.39036586,
"energy_per_atom": -1.097591465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.39036586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1216715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.071000Z",
"spacegroup": 71
},
{
"id": "mp-1096465",
"created_at": "2022-09-04T14:47:15.663126Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-6.700585 6.815479 9.457945\n6.700585 -6.815479 9.457945\n6.700585 6.815479 -9.457945\nSr Cd Ag\n2 1 1\ndirect\n0.766492 0.000000 0.766492 Sr\n0.233508 0.000000 0.233508 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Sr",
"density": 0.38014631753407924,
"density_atomic": 0.00231522983903387,
"volume": 1727.690241617296,
"volume_molar": 260.10984561744414,
"formula_full": "Sr2 Cd1 Ag1",
"formula_reduced": "Sr2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.27183168,
"energy_per_atom": -0.81795792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27183168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.253000Z",
"spacegroup": 71
},
{
"id": "mp-1206227",
"created_at": "2022-09-04T14:39:30.711538Z",
"structure_string": "Li1 Y3 Se6\n1.0\n-5.185292 -8.981189 0.000000\n-5.229281 9.006586 0.000000\n0.000000 0.000000 -46.243768\nLi Y Se\n1 3 6\ndirect\n-0.000000 -0.000000 -0.000000 Li\n-0.000000 -0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n-0.000000 0.500000 -0.000000 Y\n-0.000000 -0.000000 0.768948 Se\n-0.000000 -0.000000 0.231052 Se\n0.742371 0.757790 0.000000 Se\n0.257629 0.242210 -0.000000 Se\n0.984582 0.242210 -0.000000 Se\n0.015418 0.757790 0.000000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Y",
"Se"
],
"chemical_system": "Li-Se-Y",
"density": 0.2865321949371337,
"density_atomic": 0.002308662543603564,
"volume": 4331.512211564328,
"volume_molar": 260.84976241699286,
"formula_full": "Li1 Y3 Se6",
"formula_reduced": "Li(YSe2)3",
"formula_anonymous": "AB3C6",
"energy": -36.71747404,
"energy_per_atom": -3.671747404,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.88547404,
"band_gap": 0.0735999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.8234006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.281000Z",
"spacegroup": 65
},
{
"id": "mp-1098698",
"created_at": "2022-09-04T14:47:56.410844Z",
"structure_string": "Y2 Ni1 Pt1\n1.0\n-5.010501 7.857738 11.004271\n5.010501 -7.857738 11.004271\n5.010501 7.857738 -11.004271\nY Ni Pt\n2 1 1\ndirect\n0.000000 0.241746 0.241746 Y\n0.000000 0.758254 0.758254 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Pt"
],
"chemical_system": "Ni-Pt-Y",
"density": 0.41354197698619133,
"density_atomic": 0.002308128723770045,
"volume": 1733.0055983474313,
"volume_molar": 260.91009127790636,
"formula_full": "Y2 Ni1 Pt1",
"formula_reduced": "Y2NiPt",
"formula_anonymous": "ABC2",
"energy": -17.7870698,
"energy_per_atom": -4.44676745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.7870698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4908139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.127000Z",
"spacegroup": 71
}
]
}