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=formula_anonymous&page=15",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=13",
"results": [
{
"id": "mp-542606",
"created_at": "2022-09-04T14:39:41.157603Z",
"structure_string": "Pu17\n1.0\n5.168143 5.826663 0.000000\n-5.168143 5.826663 0.000000\n0.000000 4.625207 6.288572\nPu\n17\ndirect\n0.000000 0.000000 0.000000 Pu\n0.731364 0.268636 0.500000 Pu\n0.268636 0.731364 0.500000 Pu\n0.868015 0.868015 0.758336 Pu\n0.131985 0.131985 0.241664 Pu\n0.682516 0.682516 0.242862 Pu\n0.317484 0.317484 0.757138 Pu\n0.593645 0.593645 0.729164 Pu\n0.406355 0.406355 0.270836 Pu\n0.145150 0.575429 0.025474 Pu\n0.424571 0.854850 0.974526 Pu\n0.854850 0.424571 0.974526 Pu\n0.575429 0.145150 0.025474 Pu\n0.990939 0.690284 0.416690 Pu\n0.309716 0.009061 0.583310 Pu\n0.009061 0.309716 0.583310 Pu\n0.690284 0.990939 0.416690 Pu\n",
"nsites": 17,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 18.186594755543936,
"density_atomic": 0.04488616131180817,
"volume": 378.73588436104075,
"volume_molar": 13.416475332266293,
"formula_full": "Pu17",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -229.10815608,
"energy_per_atom": -13.476950357647057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.10815608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.4777296,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.685000Z",
"spacegroup": 12
},
{
"id": "mp-567597",
"created_at": "2022-09-04T14:39:58.656232Z",
"structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.853005953205109,
"density_atomic": 0.028393183657330765,
"volume": 35.21972076357181,
"volume_molar": 21.20981159661241,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -3.84048913,
"energy_per_atom": -3.84048913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84048913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.383000Z",
"spacegroup": 221
},
{
"id": "mp-7",
"created_at": "2022-09-04T14:40:42.935966Z",
"structure_string": "S6\n1.0\n3.660203 -5.539839 0.000000\n3.660203 5.539839 0.000000\n-4.724527 0.000000 4.665378\nS\n6\ndirect\n0.124312 0.228228 0.897566 S\n0.228228 0.897566 0.124312 S\n0.897566 0.124312 0.228228 S\n0.875688 0.771772 0.102434 S\n0.771772 0.102434 0.875688 S\n0.102434 0.875688 0.771772 S\n",
"nsites": 6,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6885442388010592,
"density_atomic": 0.031712618397196635,
"volume": 189.19913596697504,
"volume_molar": 18.989730474391706,
"formula_full": "S6",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -24.43169614,
"energy_per_atom": -4.071949356666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.43169614,
"band_gap": 2.5113,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.282000Z",
"spacegroup": 148
},
{
"id": "mp-1008501",
"created_at": "2022-09-04T14:40:30.808933Z",
"structure_string": "Be4\n1.0\n3.746814 0.000000 0.000000\n0.000000 3.746814 0.000000\n0.000000 0.000000 2.281280\nBe\n4\ndirect\n0.297408 0.297408 0.000000 Be\n0.702592 0.702592 0.000000 Be\n0.202592 0.797408 0.500000 Be\n0.797408 0.202592 0.500000 Be\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8691156800886053,
"density_atomic": 0.12489847326770111,
"volume": 32.02601197075165,
"volume_molar": 4.8216288017327855,
"formula_full": "Be4",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy": -14.75546744,
"energy_per_atom": -3.68886686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.75546744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.976000Z",
"spacegroup": 136
},
{
"id": "mp-570747",
"created_at": "2022-09-04T14:41:08.844775Z",
"structure_string": "N4\n1.0\n4.061881 0.000000 0.000000\n0.000000 4.061881 0.000000\n0.000000 0.000000 5.338196\nN\n4\ndirect\n0.903123 0.903123 0.000000 N\n0.596877 0.403123 0.500000 N\n0.096877 0.096877 0.000000 N\n0.403123 0.596877 0.500000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.0563212303584673,
"density_atomic": 0.04541623036970457,
"volume": 88.074240584006,
"volume_molar": 13.259886853174718,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -33.31661044,
"energy_per_atom": -8.32915261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.31661044,
"band_gap": 6.739,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001172,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.798000Z",
"spacegroup": 136
},
{
"id": "mp-8",
"created_at": "2022-09-04T14:41:35.136693Z",
"structure_string": "Re2\n1.0\n1.390525 -2.408460 0.000000\n1.390525 2.408460 0.000000\n0.000000 0.000000 4.497136\nRe\n2\ndirect\n0.333333 0.666667 0.250000 Re\n0.666667 0.333333 0.750000 Re\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.530089370687055,
"density_atomic": 0.06639658447232537,
"volume": 30.12203136493589,
"volume_molar": 9.069955642838943,
"formula_full": "Re2",
"formula_reduced": "Re",
"formula_anonymous": "A",
"energy": -24.88905437,
"energy_per_atom": -12.444527185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.88905437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001296,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.795000Z",
"spacegroup": 194
},
{
"id": "mp-70",
"created_at": "2022-09-04T14:42:59.888532Z",
"structure_string": "Rb1\n1.0\n-2.822078 2.822078 2.822078\n2.822078 -2.822078 2.822078\n2.822078 2.822078 -2.822078\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.578645412106472,
"density_atomic": 0.011123282552164366,
"volume": 89.90151920625446,
"volume_molar": 54.13996031979079,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.9713216,
"energy_per_atom": -0.9713216,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.9713216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.439000Z",
"spacegroup": 229
},
{
"id": "mp-560602",
"created_at": "2022-09-04T14:41:05.721641Z",
"structure_string": "O24\n1.0\n6.859829 0.000000 0.000000\n0.000000 7.128355 0.000000\n0.000000 0.000000 7.983573\nO\n24\ndirect\n0.757307 0.362980 0.003180 O\n0.446246 0.938678 0.698541 O\n0.257307 0.137020 0.996820 O\n0.742693 0.637020 0.503180 O\n0.257307 0.362980 0.496820 O\n0.155617 0.187281 0.123934 O\n0.655617 0.187281 0.376066 O\n0.053754 0.061322 0.198541 O\n0.946246 0.561322 0.301459 O\n0.053754 0.438678 0.698541 O\n0.553754 0.061322 0.301459 O\n0.757307 0.137020 0.503180 O\n0.242693 0.637020 0.996820 O\n0.946246 0.938678 0.801459 O\n0.446246 0.561322 0.198541 O\n0.655617 0.312719 0.876066 O\n0.344383 0.812719 0.623934 O\n0.742693 0.862980 0.003180 O\n0.844383 0.687281 0.376066 O\n0.155617 0.312719 0.623934 O\n0.242693 0.862980 0.496820 O\n0.553754 0.438678 0.801459 O\n0.844383 0.812719 0.876066 O\n0.344383 0.687281 0.123934 O\n",
"nsites": 24,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.6332930910367458,
"density_atomic": 0.06147681100514933,
"volume": 390.39110206919725,
"volume_molar": 9.795792367134306,
"formula_full": "O24",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -108.87989591000002,
"energy_per_atom": -4.536662329583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.87989591000002,
"band_gap": 1.3241,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.789000Z",
"spacegroup": 61
},
{
"id": "mp-66",
"created_at": "2022-09-04T14:40:21.558049Z",
"structure_string": "C2\n1.0\n0.000000 1.786855 1.786855\n1.786855 0.000000 1.786855\n1.786855 1.786855 0.000000\nC\n2\ndirect\n0.250000 0.250000 0.250000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4958233725910053,
"density_atomic": 0.175279879017178,
"volume": 11.410322800393955,
"volume_molar": 3.4357285010504888,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.18073633,
"energy_per_atom": -9.090368165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.18073633,
"band_gap": 4.1145,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005442,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.938000Z",
"spacegroup": 227
},
{
"id": "mp-10869",
"created_at": "2022-09-04T14:41:26.759513Z",
"structure_string": "S1\n1.0\n2.575968 0.000000 0.000000\n0.000000 2.575968 0.000000\n0.000000 0.000000 2.575968\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.1150064527763854,
"density_atomic": 0.05850306356903289,
"volume": 17.09312194941744,
"volume_molar": 10.293718640723743,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -3.51000844,
"energy_per_atom": -3.51000844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51000844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.088000Z",
"spacegroup": 221
},
{
"id": "mp-1216274",
"created_at": "2022-09-04T14:40:30.967985Z",
"structure_string": "W4\n1.0\n2.669141 0.000000 0.000000\n0.000000 2.669141 0.000000\n1.334570 1.334570 9.663752\nW\n4\ndirect\n0.435305 0.685305 0.129390 W\n0.185305 0.935305 0.629390 W\n0.564695 0.314695 0.870610 W\n0.814695 0.064695 0.370610 W\n",
"nsites": 4,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 17.736188308705483,
"density_atomic": 0.05809933778165902,
"volume": 68.84760055324989,
"volume_molar": 10.365248537998118,
"formula_full": "W4",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -48.6160018,
"energy_per_atom": -12.15400045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.6160018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.366000Z",
"spacegroup": 141
},
{
"id": "mp-10023",
"created_at": "2022-09-04T14:45:15.106703Z",
"structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.122678571967442,
"density_atomic": 0.02654440620759267,
"volume": 37.67272065456727,
"volume_molar": 22.687042659396344,
"formula_full": "La1",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -4.80249767,
"energy_per_atom": -4.80249767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.80249767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6083648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.084000Z",
"spacegroup": 229
}
]
}