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=-density&page=12150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12148",
"results": [
{
"id": "mp-1095846",
"created_at": "2022-09-04T14:48:26.481888Z",
"structure_string": "Ba2 Na1 Pb1\n1.0\n-7.024843 7.095905 10.181357\n7.024843 -7.095905 10.181357\n7.024843 7.095905 -10.181357\nBa Na Pb\n2 1 1\ndirect\n0.000000 0.270269 0.270269 Ba\n0.000000 0.729731 0.729731 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Pb"
],
"chemical_system": "Ba-Na-Pb",
"density": 0.41294862640053787,
"density_atomic": 0.0019703796754697175,
"volume": 2030.0656009590857,
"volume_molar": 305.63352002524016,
"formula_full": "Ba2 Na1 Pb1",
"formula_reduced": "Ba2NaPb",
"formula_anonymous": "ABC2",
"energy": -4.79450991,
"energy_per_atom": -1.1986274775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79450991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.141000Z",
"spacegroup": 71
},
{
"id": "mp-1097460",
"created_at": "2022-09-04T14:43:18.884681Z",
"structure_string": "Li1 Sc1 Ag2\n1.0\n-5.449208 5.932153 8.323306\n5.449208 -5.932153 8.323306\n5.449208 5.932153 -8.323306\nLi Sc Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.244292 0.244292 Ag\n0.000000 0.755708 0.755708 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Ag"
],
"chemical_system": "Ag-Li-Sc",
"density": 0.41294069470496364,
"density_atomic": 0.0037167077167207913,
"volume": 1076.2212971455162,
"volume_molar": 162.02890350800214,
"formula_full": "Li1 Sc1 Ag2",
"formula_reduced": "LiScAg2",
"formula_anonymous": "ABC2",
"energy": -8.16715848,
"energy_per_atom": -2.04178962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.16715848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.846371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.278000Z",
"spacegroup": 71
},
{
"id": "mp-1096167",
"created_at": "2022-09-04T14:42:06.716822Z",
"structure_string": "Li1 Sc1 In2\n1.0\n-5.735714 5.907965 8.360791\n5.735714 -5.907965 8.360791\n5.735714 5.907965 -8.360791\nLi Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.243980 0.243980 In\n0.000000 0.756020 0.756020 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"In"
],
"chemical_system": "In-Li-Sc",
"density": 0.41252047538651787,
"density_atomic": 0.0035296141433272025,
"volume": 1133.2683510355007,
"volume_molar": 170.61753821972195,
"formula_full": "Li1 Sc1 In2",
"formula_reduced": "LiScIn2",
"formula_anonymous": "ABC2",
"energy": -7.67766477,
"energy_per_atom": -1.9194161925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.67766477,
"band_gap": 0.004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.841000Z",
"spacegroup": 71
},
{
"id": "mp-1093885",
"created_at": "2022-09-04T14:47:09.616965Z",
"structure_string": "La2 Mg1 Zn1\n1.0\n-6.216768 6.495402 9.173490\n6.216768 -6.495402 9.173490\n6.216768 6.495402 -9.173490\nLa Mg Zn\n2 1 1\ndirect\n0.000000 0.265467 0.265467 La\n0.000000 0.734533 0.734533 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Zn"
],
"chemical_system": "La-Mg-Zn",
"density": 0.4118799339629421,
"density_atomic": 0.002699570744125843,
"volume": 1481.7170502769147,
"volume_molar": 223.07771608148943,
"formula_full": "La2 Mg1 Zn1",
"formula_reduced": "La2MgZn",
"formula_anonymous": "ABC2",
"energy": -4.0058063,
"energy_per_atom": -1.001451575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.0058063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.086253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.258000Z",
"spacegroup": 71
},
{
"id": "mp-1214891",
"created_at": "2022-09-04T14:39:12.499690Z",
"structure_string": "Al2 H24\n1.0\n0.000000 5.402113 5.402113\n5.402113 0.000000 5.402113\n5.402113 5.402113 0.000000\nAl H\n2 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.742148 0.306875 0.306875 H\n0.306875 0.742148 0.644102 H\n0.306875 0.644102 0.742148 H\n0.306875 0.742148 0.306875 H\n0.507852 0.943125 0.605898 H\n0.507852 0.943125 0.943125 H\n0.644102 0.306875 0.306875 H\n0.644102 0.306875 0.742148 H\n0.943125 0.507852 0.943125 H\n0.943125 0.507852 0.605898 H\n0.742148 0.306875 0.644102 H\n0.943125 0.605898 0.943125 H\n0.943125 0.605898 0.507852 H\n0.306875 0.644102 0.306875 H\n0.605898 0.943125 0.507852 H\n0.605898 0.943125 0.943125 H\n0.306875 0.306875 0.742148 H\n0.644102 0.742148 0.306875 H\n0.306875 0.306875 0.644102 H\n0.742148 0.644102 0.306875 H\n0.605898 0.507852 0.943125 H\n0.943125 0.943125 0.507852 H\n0.507852 0.605898 0.943125 H\n0.943125 0.943125 0.605898 H\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Al",
"H"
],
"chemical_system": "Al-H",
"density": 0.41160183577760256,
"density_atomic": 0.08246171429315989,
"volume": 315.2978351573837,
"volume_molar": 7.302953633234774,
"formula_full": "Al2 H24",
"formula_reduced": "AlH12",
"formula_anonymous": "AB12",
"energy": -86.8365631,
"energy_per_atom": -3.3398678115384617,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.5405631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.000436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.977000Z",
"spacegroup": 227
},
{
"id": "mp-1097657",
"created_at": "2022-09-04T14:48:10.615077Z",
"structure_string": "Sr2 Tl1 In1\n1.0\n-6.532210 7.338086 10.419376\n6.532210 -7.338086 10.419376\n6.532210 7.338086 -10.419376\nSr Tl In\n2 1 1\ndirect\n0.000000 0.248561 0.248561 Sr\n0.000000 0.751439 0.751439 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"In"
],
"chemical_system": "In-Sr-Tl",
"density": 0.41097859189767577,
"density_atomic": 0.0020022364075247727,
"volume": 1997.7660904413005,
"volume_molar": 300.77071505481007,
"formula_full": "Sr2 Tl1 In1",
"formula_reduced": "Sr2TlIn",
"formula_anonymous": "ABC2",
"energy": -3.76073244,
"energy_per_atom": -0.94018311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.76073244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0643291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.016000Z",
"spacegroup": 71
},
{
"id": "mp-1096058",
"created_at": "2022-09-04T14:39:26.342511Z",
"structure_string": "Ba2 Zn1 Ga1\n1.0\n-6.584391 6.773162 9.287944\n6.584391 -6.773162 9.287944\n6.584391 6.773162 -9.287944\nBa Zn Ga\n2 1 1\ndirect\n0.263926 0.000000 0.263926 Ba\n0.736074 0.000000 0.736074 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Ga"
],
"chemical_system": "Ba-Ga-Zn",
"density": 0.41069513575582467,
"density_atomic": 0.002414200502529215,
"volume": 1656.8632124007252,
"volume_molar": 249.4465871285736,
"formula_full": "Ba2 Zn1 Ga1",
"formula_reduced": "Ba2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.27036875,
"energy_per_atom": -0.8175921875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27036875,
"band_gap": 0.0288999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0197156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.758000Z",
"spacegroup": 71
},
{
"id": "mp-1096101",
"created_at": "2022-09-04T14:43:36.589883Z",
"structure_string": "Sc2 Al1 Pd1\n1.0\n-5.206720 5.542707 7.828727\n5.206720 -5.542707 7.828727\n5.206720 5.542707 -7.828727\nSc Al Pd\n2 1 1\ndirect\n0.000000 0.267344 0.267344 Sc\n0.000000 0.732656 0.732656 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Sc",
"density": 0.4103236257523495,
"density_atomic": 0.00442611512991143,
"volume": 903.7270569326656,
"volume_molar": 136.05928863672614,
"formula_full": "Sc2 Al1 Pd1",
"formula_reduced": "Sc2AlPd",
"formula_anonymous": "ABC2",
"energy": -13.59028568,
"energy_per_atom": -3.39757142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.59028568,
"band_gap": 0.1328999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9999557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.468000Z",
"spacegroup": 71
},
{
"id": "mp-1095788",
"created_at": "2022-09-04T14:45:38.643094Z",
"structure_string": "Y2 Al1 Ag1\n1.0\n-5.900289 6.182054 8.672676\n5.900289 -6.182054 8.672676\n5.900289 6.182054 -8.672676\nY Al Ag\n2 1 1\ndirect\n0.000000 0.245347 0.245347 Y\n0.000000 0.754653 0.754653 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Y",
"density": 0.41030256074123755,
"density_atomic": 0.003161118668026333,
"volume": 1265.3748308972622,
"volume_molar": 190.50663364561277,
"formula_full": "Y2 Al1 Ag1",
"formula_reduced": "Y2AlAg",
"formula_anonymous": "ABC2",
"energy": -10.62129332,
"energy_per_atom": -2.65532333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.62129332,
"band_gap": 0.1,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.458000Z",
"spacegroup": 71
},
{
"id": "mp-1207314",
"created_at": "2022-09-04T14:41:14.815999Z",
"structure_string": "Ho2 Ag1 Sb3\n1.0\n9.034712 0.000000 0.000000\n0.000000 9.034712 0.000000\n0.000000 0.000000 39.814721\nHo Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243105 Ho\n0.500000 0.500000 0.756895 Ho\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.691142 Sb\n0.500000 0.500000 0.308858 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ho-Sb",
"density": 0.4102958467316628,
"density_atomic": 0.0018462008536160091,
"volume": 3249.917249387178,
"volume_molar": 326.1909855693602,
"formula_full": "Ho2 Ag1 Sb3",
"formula_reduced": "Ho2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -11.15261398,
"energy_per_atom": -1.8587689966666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.57661398,
"band_gap": 0.1065999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8776555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.453000Z",
"spacegroup": 123
},
{
"id": "mp-1097086",
"created_at": "2022-09-04T14:47:03.120905Z",
"structure_string": "Li2 In1 Sb1\n1.0\n-5.462397 5.676776 8.174073\n5.462397 -5.676776 8.174073\n5.462397 5.676776 -8.174073\nLi In Sb\n2 1 1\ndirect\n0.000000 0.260995 0.260995 Li\n0.000000 0.739005 0.739005 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Sb"
],
"chemical_system": "In-Li-Sb",
"density": 0.41020783559650126,
"density_atomic": 0.003945267631830652,
"volume": 1013.8729164348102,
"volume_molar": 152.6421353880536,
"formula_full": "Li2 In1 Sb1",
"formula_reduced": "Li2InSb",
"formula_anonymous": "ABC2",
"energy": -7.0845221700000005,
"energy_per_atom": -1.7711305425000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.89252217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0768692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.796000Z",
"spacegroup": 71
},
{
"id": "mp-1095724",
"created_at": "2022-09-04T14:42:20.904201Z",
"structure_string": "Ba1 Li2 Pb1\n1.0\n-6.288358 6.440399 8.958174\n6.288358 -6.440399 8.958174\n6.288358 6.440399 -8.958174\nBa Li Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.286742 0.286742 Li\n0.000000 0.713258 0.713258 Li\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Pb"
],
"chemical_system": "Ba-Li-Pb",
"density": 0.4101082319306902,
"density_atomic": 0.0027563253159098447,
"volume": 1451.2075105618026,
"volume_molar": 218.48439751430905,
"formula_full": "Ba1 Li2 Pb1",
"formula_reduced": "BaLi2Pb",
"formula_anonymous": "ABC2",
"energy": -4.54492688,
"energy_per_atom": -1.13623172,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.54492688,
"band_gap": 0.2702,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0296645,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.795000Z",
"spacegroup": 71
}
]
}