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=-nsites&page=12177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12175",
"results": [
{
"id": "mp-998897",
"created_at": "2022-09-04T14:40:54.185174Z",
"structure_string": "Y1 Sb1\n1.0\n3.804791 0.000000 0.000000\n0.000000 3.804791 0.000000\n0.000000 0.000000 3.804791\nY Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Sb"
],
"chemical_system": "Sb-Y",
"density": 6.3511273413720355,
"density_atomic": 0.03631094726330295,
"volume": 55.07980790193448,
"volume_molar": 16.584917810960487,
"formula_full": "Y1 Sb1",
"formula_reduced": "YSb",
"formula_anonymous": "AB",
"energy": -12.40348012,
"energy_per_atom": -6.20174006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.21148012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.681000Z",
"spacegroup": 221
},
{
"id": "mp-21263",
"created_at": "2022-09-04T14:40:54.136784Z",
"structure_string": "Pu1 Sb1\n1.0\n3.769782 0.000000 0.000000\n0.000000 3.769782 0.000000\n0.000000 0.000000 3.769782\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 11.33695954484827,
"density_atomic": 0.03733200251153512,
"volume": 53.573338300886086,
"volume_molar": 16.131309211551763,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy": -19.74155238,
"energy_per_atom": -9.87077619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.54955238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6347841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.274000Z",
"spacegroup": 221
},
{
"id": "mp-1066029",
"created_at": "2022-09-04T14:40:42.742774Z",
"structure_string": "Rb1 Bi1\n1.0\n4.685266 0.000000 0.000000\n0.000000 4.685266 0.000000\n0.000000 0.000000 3.858881\nRb Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 5.772023762262501,
"density_atomic": 0.02361022385494077,
"volume": 84.70906554244601,
"volume_molar": 25.506495817233784,
"formula_full": "Rb1 Bi1",
"formula_reduced": "RbBi",
"formula_anonymous": "AB",
"energy": -4.9821576,
"energy_per_atom": -2.4910788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.9821576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.660000Z",
"spacegroup": 123
},
{
"id": "mp-1009548",
"created_at": "2022-09-04T14:40:58.383518Z",
"structure_string": "Pd1 N1\n1.0\n0.000000 2.221293 2.221293\n2.221293 0.000000 2.221293\n2.221293 2.221293 0.000000\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 9.12271995944708,
"density_atomic": 0.09123940742183803,
"volume": 21.920352800552084,
"volume_molar": 6.600372503689243,
"formula_full": "Pd1 N1",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy": -11.61151839,
"energy_per_atom": -5.805759195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.25051839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009757,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.303000Z",
"spacegroup": 225
},
{
"id": "mp-1281",
"created_at": "2022-09-04T14:40:53.991536Z",
"structure_string": "V1 Ir1\n1.0\n2.749881 0.000000 0.000000\n0.000000 2.749881 0.000000\n0.000000 0.000000 3.686440\nV Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Ir"
],
"chemical_system": "Ir-V",
"density": 14.484502487693316,
"density_atomic": 0.07174555925423405,
"volume": 27.876289777223676,
"volume_molar": 8.3937470452495,
"formula_full": "V1 Ir1",
"formula_reduced": "VIr",
"formula_anonymous": "AB",
"energy": -18.93552979,
"energy_per_atom": -9.467764895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.93552979,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060541,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.182000Z",
"spacegroup": 123
},
{
"id": "mp-1225998",
"created_at": "2022-09-04T14:40:57.195665Z",
"structure_string": "Co1 Pt1\n1.0\n4.365754 -1.355758 0.000000\n4.365754 1.355758 0.000000\n3.944731 0.000000 2.310190\nCo Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Pt"
],
"chemical_system": "Co-Pt",
"density": 15.423860257789181,
"density_atomic": 0.07313257479839133,
"volume": 27.34759449552422,
"volume_molar": 8.234553174972401,
"formula_full": "Co1 Pt1",
"formula_reduced": "CoPt",
"formula_anonymous": "AB",
"energy": -13.23343814,
"energy_per_atom": -6.61671907,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.23343814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1079216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.032000Z",
"spacegroup": 166
},
{
"id": "mp-1216229",
"created_at": "2022-09-04T14:40:58.322690Z",
"structure_string": "V1 Re1\n1.0\n-1.521970 -1.553706 1.553706\n-1.521970 1.553706 -1.553706\n0.000000 -3.009319 -3.009319\nV Re\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Re"
],
"chemical_system": "Re-V",
"density": 13.834591055750868,
"density_atomic": 0.07026302483343579,
"volume": 28.46447338043249,
"volume_molar": 8.570853267811875,
"formula_full": "V1 Re1",
"formula_reduced": "VRe",
"formula_anonymous": "AB",
"energy": -22.05716005,
"energy_per_atom": -11.028580025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.05716005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.421000Z",
"spacegroup": 65
},
{
"id": "mp-1216593",
"created_at": "2022-09-04T14:40:53.801350Z",
"structure_string": "U1 Ti1\n1.0\n-1.507162 -1.743606 1.743606\n-1.507162 1.743606 -1.743606\n0.000000 -3.567201 -3.567201\nU Ti\n1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Ti"
],
"chemical_system": "Ti-U",
"density": 12.660800831770208,
"density_atomic": 0.05333768137473107,
"volume": 37.496943032613856,
"volume_molar": 11.290593450605096,
"formula_full": "U1 Ti1",
"formula_reduced": "UTi",
"formula_anonymous": "AB",
"energy": -18.90261023,
"energy_per_atom": -9.451305115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.90261023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0361338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.964000Z",
"spacegroup": 65
},
{
"id": "mp-1002197",
"created_at": "2022-09-04T14:40:53.346580Z",
"structure_string": "Ru1 N1\n1.0\n1.474198 -2.553386 0.000000\n1.474198 2.553386 0.000000\n0.000000 0.000000 2.729227\nRu N\n1 1\ndirect\n0.666667 0.333333 0.000000 Ru\n0.000000 0.000000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ru",
"N"
],
"chemical_system": "N-Ru",
"density": 9.300248470398586,
"density_atomic": 0.0973392622678091,
"volume": 20.546693630134655,
"volume_molar": 6.186754059663314,
"formula_full": "Ru1 N1",
"formula_reduced": "RuN",
"formula_anonymous": "AB",
"energy": -16.14590588,
"energy_per_atom": -8.07295294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78490588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0337296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.410000Z",
"spacegroup": 187
},
{
"id": "mp-1220343",
"created_at": "2022-09-04T14:40:59.520715Z",
"structure_string": "Nb1 Ni1\n1.0\n-1.409409 -2.440947 0.000000\n-1.409409 2.440947 0.000000\n0.000000 0.000000 -4.309516\nNb Ni\n1 1\ndirect\n0.666690 0.333310 0.750000 Nb\n0.333310 0.666690 0.250000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Ni"
],
"chemical_system": "Nb-Ni",
"density": 8.489728176029676,
"density_atomic": 0.06744909274651575,
"volume": 29.651992614879386,
"volume_molar": 8.928423667064207,
"formula_full": "Nb1 Ni1",
"formula_reduced": "NbNi",
"formula_anonymous": "AB",
"energy": -15.71330586,
"energy_per_atom": -7.85665293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.71330586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.526000Z",
"spacegroup": 187
},
{
"id": "mp-1056699",
"created_at": "2022-09-04T14:40:59.750856Z",
"structure_string": "U1\n1.0\n-0.006178 -2.680697 -0.026344\n0.017980 0.022401 -2.664060\n2.665728 -0.007871 0.015587\nU\n1\ndirect\n0.499999 0.000002 0.500000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 20.759420594174422,
"density_atomic": 0.052521415552994846,
"volume": 19.039852400607632,
"volume_molar": 11.466067120608306,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.12494657,
"energy_per_atom": -11.12494657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.12494657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.579000Z",
"spacegroup": 221
},
{
"id": "mp-612118",
"created_at": "2022-09-04T14:40:38.778246Z",
"structure_string": "Kr1\n1.0\n0.000000 3.248231 3.248231\n3.248231 0.000000 3.248231\n3.248231 3.248231 0.000000\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.0300747752671926,
"density_atomic": 0.014589126296820014,
"volume": 68.54420063646783,
"volume_molar": 41.27828245144909,
"formula_full": "Kr1",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.05671467,
"energy_per_atom": -0.05671467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.05671467,
"band_gap": 7.1828,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.792000Z",
"spacegroup": 225
}
]
}