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=11554",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11552",
"results": [
{
"id": "mp-1098327",
"created_at": "2022-09-04T14:40:21.527825Z",
"structure_string": "Rb1 Mg6 Co1\n1.0\n3.071869 -7.926740 0.000000\n3.071869 7.926740 0.000000\n0.000000 0.000000 4.522613\nRb Mg Co\n1 6 1\ndirect\n0.281004 0.718996 0.500000 Rb\n0.212063 0.282394 0.000000 Mg\n0.717606 0.787937 0.000000 Mg\n0.665334 0.334666 0.000000 Mg\n0.314547 0.148613 0.500000 Mg\n0.851387 0.685453 0.500000 Mg\n0.862670 0.137330 0.500000 Mg\n0.095391 0.904609 0.000000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Rb",
"density": 2.1881453197959675,
"density_atomic": 0.03632229320979403,
"volume": 220.2504107819619,
"volume_molar": 16.579737202209955,
"formula_full": "Rb1 Mg6 Co1",
"formula_reduced": "RbMg6Co",
"formula_anonymous": "ABC6",
"energy": -14.99018444,
"energy_per_atom": -1.873773055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.99018444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1057285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.054000Z",
"spacegroup": 38
},
{
"id": "mp-1229011",
"created_at": "2022-09-04T14:41:01.352645Z",
"structure_string": "Ag1 Sn1 Se2\n1.0\n6.733192 -2.029901 0.000000\n6.733192 2.029901 0.000000\n6.121224 0.000000 3.462224\nAg Sn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sn\n0.251816 0.251816 0.251816 Se\n0.748184 0.748184 0.748184 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Se-Sn",
"density": 6.746249424080593,
"density_atomic": 0.042264815437806504,
"volume": 94.64136915222255,
"volume_molar": 14.24859116884515,
"formula_full": "Ag1 Sn1 Se2",
"formula_reduced": "AgSnSe2",
"formula_anonymous": "ABC2",
"energy": -15.933103589999998,
"energy_per_atom": -3.9832758974999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98910359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.258000Z",
"spacegroup": 166
},
{
"id": "mp-1238773",
"created_at": "2022-09-04T14:39:48.490012Z",
"structure_string": "Mn1 O1\n1.0\n-1.733321 -3.007839 -0.001035\n-1.733321 3.007839 0.001035\n0.000000 -0.001928 -4.807558\nMn O\n1 1\ndirect\n0.666513 0.333487 0.057345 Mn\n0.333577 0.666423 0.056225 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 2.349830771018693,
"density_atomic": 0.03989715634710043,
"volume": 50.12888594365579,
"volume_molar": 15.09416036473403,
"formula_full": "Mn1 O1",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy": -17.343757189999998,
"energy_per_atom": -8.671878594999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98875719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.870000Z",
"spacegroup": 187
},
{
"id": "mp-862631",
"created_at": "2022-09-04T14:40:02.531255Z",
"structure_string": "Ba2 Sb1 Au1\n1.0\n0.000000 4.162596 4.162596\n4.162596 0.000000 4.162596\n4.162596 4.162596 0.000000\nBa Sb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Au"
],
"chemical_system": "Au-Ba-Sb",
"density": 6.8306122839255625,
"density_atomic": 0.02772919156036616,
"volume": 144.25231227142132,
"volume_molar": 21.717693236349362,
"formula_full": "Ba2 Sb1 Au1",
"formula_reduced": "Ba2SbAu",
"formula_anonymous": "ABC2",
"energy": -15.17938985,
"energy_per_atom": -3.7948474625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98738985,
"band_gap": 0.5956999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.154000Z",
"spacegroup": 225
},
{
"id": "mp-1224784",
"created_at": "2022-09-04T14:41:55.469683Z",
"structure_string": "Ga2 Bi1 As1\n1.0\n-3.069045 -3.069045 0.000000\n0.000000 3.069045 -3.069045\n3.052697 -3.052697 -6.121743\nGa Bi As\n2 1 1\ndirect\n0.882827 0.765654 0.351519 Ga\n0.367107 0.734213 0.898680 Ga\n0.499569 0.999138 0.501293 Bi\n0.000497 0.000995 0.998508 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Bi",
"As"
],
"chemical_system": "As-Bi-Ga",
"density": 6.1040111584627645,
"density_atomic": 0.034731912667192597,
"volume": 115.16785839952772,
"volume_molar": 17.338926357742604,
"formula_full": "Ga2 Bi1 As1",
"formula_reduced": "Ga2BiAs",
"formula_anonymous": "ABC2",
"energy": -14.98737205,
"energy_per_atom": -3.7468430125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98737205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.354000Z",
"spacegroup": 160
},
{
"id": "mp-1093650",
"created_at": "2022-09-04T14:45:28.876484Z",
"structure_string": "Mn1 Pd2 Au1\n1.0\n-4.911908 5.317578 7.528562\n4.911908 -5.317578 7.528562\n4.911908 5.317578 -7.528562\nMn Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.235595 0.235595 Pd\n0.000000 0.764405 0.764405 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Pd",
"Au"
],
"chemical_system": "Au-Mn-Pd",
"density": 0.9811317892242197,
"density_atomic": 0.00508538544643425,
"volume": 786.5677129360379,
"volume_molar": 118.42053711430233,
"formula_full": "Mn1 Pd2 Au1",
"formula_reduced": "MnPd2Au",
"formula_anonymous": "ABC2",
"energy": -14.98726654,
"energy_per_atom": -3.746816635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98726654,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0002652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.667000Z",
"spacegroup": 71
},
{
"id": "mp-978855",
"created_at": "2022-09-04T14:41:28.305029Z",
"structure_string": "Sn3 B1\n1.0\n4.528904 0.000000 0.000000\n0.000000 4.528904 0.000000\n0.000000 0.000000 4.528904\nSn B\n3 1\ndirect\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"B"
],
"chemical_system": "B-Sn",
"density": 6.55942835336821,
"density_atomic": 0.04306065646822717,
"volume": 92.89222060400888,
"volume_molar": 13.985250699657843,
"formula_full": "Sn3 B1",
"formula_reduced": "Sn3B",
"formula_anonymous": "AB3",
"energy": -14.98393194,
"energy_per_atom": -3.745982985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98393194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097396,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.238000Z",
"spacegroup": 221
},
{
"id": "mp-1212183",
"created_at": "2022-09-04T14:40:06.210938Z",
"structure_string": "Li7 Al6\n1.0\n-6.634359 -11.491048 0.000000\n-7.718719 12.117103 0.000000\n0.000000 0.000000 -43.297062\nLi Al\n7 6\ndirect\n-0.000000 -0.000000 0.598455 Li\n-0.000000 -0.000000 0.401545 Li\n0.613898 0.611821 0.000000 Li\n0.386102 0.388179 -0.000000 Li\n0.002078 0.388179 0.000000 Li\n0.997922 0.611821 -0.000000 Li\n-0.000000 -0.000000 -0.000000 Li\n-0.000000 -0.000000 0.803650 Al\n-0.000000 -0.000000 0.196350 Al\n0.804103 0.795587 0.000000 Al\n0.195897 0.204413 0.000000 Al\n0.008516 0.204413 -0.000000 Al\n0.991484 0.795587 -0.000000 Al\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 0.04774057734020273,
"density_atomic": 0.0017757378921422955,
"volume": 7320.90026209694,
"volume_molar": 339.1345528328359,
"formula_full": "Li7 Al6",
"formula_reduced": "Li7Al6",
"formula_anonymous": "A6B7",
"energy": -14.98343087,
"energy_per_atom": -1.1525716053846153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98343087,
"band_gap": 0.0739999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.9999897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.531000Z",
"spacegroup": 65
},
{
"id": "mp-1038788",
"created_at": "2022-09-04T14:46:53.875009Z",
"structure_string": "Ce2 Mg2\n1.0\n3.102453 0.000000 0.000000\n0.000000 5.134224 0.000000\n0.000000 0.000000 6.262851\nCe Mg\n2 2\ndirect\n0.500000 0.000000 0.561358 Ce\n0.000000 0.500000 0.438642 Ce\n0.000000 0.000000 0.079338 Mg\n0.500000 0.500000 0.920662 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.473741394381752,
"density_atomic": 0.04009663141836762,
"volume": 99.75900364956007,
"volume_molar": 15.019069051375112,
"formula_full": "Ce2 Mg2",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -14.98183826,
"energy_per_atom": -3.745459565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98183826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0633936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.518000Z",
"spacegroup": 59
},
{
"id": "mp-1094536",
"created_at": "2022-09-04T14:47:17.895945Z",
"structure_string": "Mg4 Sb2\n1.0\n1.656865 6.048886 0.000000\n-1.656865 6.048886 0.000000\n0.000000 1.307526 7.290851\nMg Sb\n4 2\ndirect\n0.002146 0.002146 0.003847 Mg\n0.348081 0.348081 0.332477 Mg\n0.651537 0.651537 0.658525 Mg\n0.276430 0.276430 0.944468 Mg\n0.639458 0.639458 0.250897 Sb\n0.915681 0.915681 0.643118 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.8716980027787717,
"density_atomic": 0.04105636619299545,
"volume": 146.14055154797526,
"volume_molar": 14.667982869432382,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy": -15.36580377,
"energy_per_atom": -2.5609672949999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98180377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.81e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.921000Z",
"spacegroup": 8
},
{
"id": "mp-1094209",
"created_at": "2022-09-04T14:46:18.855498Z",
"structure_string": "Mg4 Sn2\n1.0\n1.734638 -7.923394 0.000000\n1.734638 7.923394 0.000000\n0.000000 0.000000 5.148778\nMg Sn\n4 2\ndirect\n0.442995 0.557005 0.250000 Mg\n0.776354 0.223646 0.250000 Mg\n0.223646 0.776354 0.750000 Mg\n0.557005 0.442995 0.750000 Mg\n0.111725 0.888275 0.250000 Sn\n0.888275 0.111725 0.750000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.9262023467003697,
"density_atomic": 0.0423932761037106,
"volume": 141.53187843566616,
"volume_molar": 14.205414899446502,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy": -14.9783102,
"energy_per_atom": -2.496385033333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.9783102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0160433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.585000Z",
"spacegroup": 63
},
{
"id": "mp-1063764",
"created_at": "2022-09-04T14:46:52.163184Z",
"structure_string": "Bi2 Se2\n1.0\n2.973716 2.984035 0.000000\n-2.973716 2.984035 0.000000\n0.000000 2.962586 12.559925\nBi Se\n2 2\ndirect\n0.685471 0.685471 0.136191 Bi\n0.314529 0.314529 0.863809 Bi\n0.806573 0.806573 0.897323 Se\n0.193427 0.193427 0.102677 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 4.290039122958967,
"density_atomic": 0.017944838218807744,
"volume": 222.90532526549356,
"volume_molar": 33.559181122559664,
"formula_full": "Bi2 Se2",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy": -15.92134325,
"energy_per_atom": -3.9803358125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97734325,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.384000Z",
"spacegroup": 12
}
]
}