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=52",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=50",
"results": [
{
"id": "mp-1179684",
"created_at": "2022-09-04T14:44:02.345536Z",
"structure_string": "Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 0.43026736970699225,
"density_atomic": 0.004409204350965699,
"volume": 453.5965767977985,
"volume_molar": 136.58112168652465,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -5.44195915,
"energy_per_atom": -2.720979575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93895915,
"band_gap": 0.3290999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.706000Z",
"spacegroup": 12
},
{
"id": "mp-1095870",
"created_at": "2022-09-04T14:44:23.439965Z",
"structure_string": "Ca2 Hg1 Ge1\n1.0\n-6.068015 6.305159 8.908799\n6.068015 -6.305159 8.908799\n6.068015 6.305159 -8.908799\nCa Hg Ge\n2 1 1\ndirect\n0.000000 0.229776 0.229776 Ca\n0.000000 0.770224 0.770224 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Ge"
],
"chemical_system": "Ca-Ge-Hg",
"density": 0.4304042957749594,
"density_atomic": 0.002933851656558215,
"volume": 1363.3954501614148,
"volume_molar": 205.26398281039013,
"formula_full": "Ca2 Hg1 Ge1",
"formula_reduced": "Ca2HgGe",
"formula_anonymous": "ABC2",
"energy": -4.70424148,
"energy_per_atom": -1.17606037,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.70424148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.99912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.619000Z",
"spacegroup": 71
},
{
"id": "mp-1093764",
"created_at": "2022-09-04T14:42:40.914573Z",
"structure_string": "Ba2 Zn1 Sn1\n1.0\n-6.725295 6.829242 9.634198\n6.725295 -6.829242 9.634198\n6.725295 6.829242 -9.634198\nBa Zn Sn\n2 1 1\ndirect\n0.000000 0.264156 0.264156 Ba\n0.000000 0.735844 0.735844 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Sn"
],
"chemical_system": "Ba-Sn-Zn",
"density": 0.4304151480104372,
"density_atomic": 0.002259959158408044,
"volume": 1769.9434899600897,
"volume_molar": 266.4712208446326,
"formula_full": "Ba2 Zn1 Sn1",
"formula_reduced": "Ba2ZnSn",
"formula_anonymous": "ABC2",
"energy": -4.79858491,
"energy_per_atom": -1.1996462275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79858491,
"band_gap": 0.0871999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0002798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.355000Z",
"spacegroup": 71
},
{
"id": "mp-1097287",
"created_at": "2022-09-04T14:41:27.860575Z",
"structure_string": "Mg2 Cu1 Rh1\n1.0\n-4.980125 5.393275 7.721884\n4.980125 -5.393275 7.721884\n4.980125 5.393275 -7.721884\nMg Cu Rh\n2 1 1\ndirect\n0.000000 0.253138 0.253138 Mg\n0.000000 0.746862 0.746862 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Rh"
],
"chemical_system": "Cu-Mg-Rh",
"density": 0.43046286769565556,
"density_atomic": 0.004821519392568806,
"volume": 829.6140022095572,
"volume_molar": 124.9013074443226,
"formula_full": "Mg2 Cu1 Rh1",
"formula_reduced": "Mg2CuRh",
"formula_anonymous": "ABC2",
"energy": -7.58029386,
"energy_per_atom": -1.895073465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.58029386,
"band_gap": 0.2033999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4649825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.180000Z",
"spacegroup": 71
},
{
"id": "mp-1096367",
"created_at": "2022-09-04T14:42:50.009263Z",
"structure_string": "Sc2 Ni1 Pd1\n1.0\n-4.727539 5.914294 8.787803\n4.727539 -5.914294 8.787803\n4.727539 5.914294 -8.787803\nSc Ni Pd\n2 1 1\ndirect\n0.000000 0.238571 0.238571 Sc\n0.000000 0.761429 0.761429 Sc\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Sc",
"density": 0.4308775845281115,
"density_atomic": 0.004069880499748205,
"volume": 982.8298399049975,
"volume_molar": 147.96849097590402,
"formula_full": "Sc2 Ni1 Pd1",
"formula_reduced": "Sc2NiPd",
"formula_anonymous": "ABC2",
"energy": -16.18685225,
"energy_per_atom": -4.0467130625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18685225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.102000Z",
"spacegroup": 71
},
{
"id": "mp-1093917",
"created_at": "2022-09-04T14:46:53.443445Z",
"structure_string": "Ti2 Be1 Re1\n1.0\n-4.770232 6.578316 8.922851\n4.770232 -6.578316 8.922851\n4.770232 6.578316 -8.922851\nTi Be Re\n2 1 1\ndirect\n0.000000 0.272946 0.272946 Ti\n0.000000 0.727054 0.727054 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Re"
],
"chemical_system": "Be-Re-Ti",
"density": 0.43137437524796335,
"density_atomic": 0.0035714298651637203,
"volume": 1119.9995942848043,
"volume_molar": 168.6198801981496,
"formula_full": "Ti2 Be1 Re1",
"formula_reduced": "Ti2BeRe",
"formula_anonymous": "ABC2",
"energy": -17.9497747,
"energy_per_atom": -4.487443675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.9497747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1083265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.011000Z",
"spacegroup": 71
},
{
"id": "mp-1093603",
"created_at": "2022-09-04T14:40:15.814535Z",
"structure_string": "Ba2 Zn1 In1\n1.0\n-6.703487 7.025847 9.288618\n6.703487 -7.025847 9.288618\n6.703487 7.025847 -9.288618\nBa Zn In\n2 1 1\ndirect\n0.740505 0.000000 0.740505 Ba\n0.259495 0.000000 0.259495 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"In"
],
"chemical_system": "Ba-In-Zn",
"density": 0.43165456785755274,
"density_atomic": 0.002285858998932451,
"volume": 1749.8892109566218,
"volume_molar": 263.45197856965274,
"formula_full": "Ba2 Zn1 In1",
"formula_reduced": "Ba2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.15202952,
"energy_per_atom": -0.78800738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.15202952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2773028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.327000Z",
"spacegroup": 71
},
{
"id": "mp-1096459",
"created_at": "2022-09-04T14:41:47.137862Z",
"structure_string": "Mg1 Sc2 Hg1\n1.0\n-5.940174 6.000677 8.483881\n5.940174 -6.000677 8.483881\n5.940174 6.000677 -8.483881\nMg Sc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.255796 0.255796 Sc\n0.000000 0.744204 0.744204 Sc\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Hg"
],
"chemical_system": "Hg-Mg-Sc",
"density": 0.43215471803319633,
"density_atomic": 0.0033067854246938253,
"volume": 1209.633975682096,
"volume_molar": 182.11465174089997,
"formula_full": "Mg1 Sc2 Hg1",
"formula_reduced": "MgSc2Hg",
"formula_anonymous": "ABC2",
"energy": -6.65997615,
"energy_per_atom": -1.6649940375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65997615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9994562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.813000Z",
"spacegroup": 71
},
{
"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-1097248",
"created_at": "2022-09-04T14:45:30.237045Z",
"structure_string": "Y2 Mg1 Tl1\n1.0\n-6.277254 6.636493 9.354688\n6.277254 -6.636493 9.354688\n6.277254 6.636493 -9.354688\nY Mg Tl\n2 1 1\ndirect\n0.000000 0.268848 0.268848 Y\n0.000000 0.731152 0.731152 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Y",
"density": 0.4330240383924294,
"density_atomic": 0.0025660336654996607,
"volume": 1558.8260020825237,
"volume_molar": 234.68674012222527,
"formula_full": "Y2 Mg1 Tl1",
"formula_reduced": "Y2MgTl",
"formula_anonymous": "ABC2",
"energy": -8.33638585,
"energy_per_atom": -2.0840964625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.33638585,
"band_gap": 0.104,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9998022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.390000Z",
"spacegroup": 71
},
{
"id": "mp-1021328",
"created_at": "2022-09-04T14:44:13.874988Z",
"structure_string": "H4 C1\n1.0\n-2.486764 2.486764 2.486764\n2.486764 -2.486764 2.486764\n2.486764 2.486764 -2.486764\nH C\n4 1\ndirect\n0.000000 0.000000 0.745600 H\n0.745600 0.000000 0.000000 H\n0.000000 0.745600 0.000000 H\n0.254400 0.254400 0.254400 H\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 0.4330682613662343,
"density_atomic": 0.08128423039662253,
"volume": 61.51254647553085,
"volume_molar": 7.4087442676337725,
"formula_full": "H4 C1",
"formula_reduced": "H4C",
"formula_anonymous": "AB4",
"energy": -24.07146417,
"energy_per_atom": -4.814292834,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.07146417,
"band_gap": 7.6375,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.343000Z",
"spacegroup": 217
},
{
"id": "mp-1096495",
"created_at": "2022-09-04T14:44:17.917708Z",
"structure_string": "Li1 Ni2 As1\n1.0\n-4.746040 5.406772 7.439794\n4.746040 -5.406772 7.439794\n4.746040 5.406772 -7.439794\nLi Ni As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.279678 0.279678 Ni\n0.000000 0.720322 0.720322 Ni\n0.000000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"As"
],
"chemical_system": "As-Li-Ni",
"density": 0.4332671552372679,
"density_atomic": 0.005238049994479845,
"volume": 763.642959539414,
"volume_molar": 114.9691348182334,
"formula_full": "Li1 Ni2 As1",
"formula_reduced": "LiNi2As",
"formula_anonymous": "ABC2",
"energy": -10.75220744,
"energy_per_atom": -2.68805186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.75220744,
"band_gap": 0.0063999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5364164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.299000Z",
"spacegroup": 71
}
]
}