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=11510",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=11508",
"results": [
{
"id": "mp-864896",
"created_at": "2022-09-04T14:40:13.368765Z",
"structure_string": "Zr2 Co1 Tc1\n1.0\n0.000000 3.256311 3.256311\n3.256311 0.000000 3.256311\n3.256311 3.256311 0.000000\nZr Co Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Tc"
],
"chemical_system": "Co-Tc-Zr",
"density": 8.160734474250706,
"density_atomic": 0.05792317600379225,
"volume": 69.05698678777763,
"volume_molar": 10.396772372436429,
"formula_full": "Zr2 Co1 Tc1",
"formula_reduced": "Zr2CoTc",
"formula_anonymous": "ABC2",
"energy": -36.02372155,
"energy_per_atom": -9.0059303875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.02372155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2461143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.286000Z",
"spacegroup": 225
},
{
"id": "mp-1221633",
"created_at": "2022-09-04T14:40:06.672437Z",
"structure_string": "Mn1 Al1 Fe1 Co1\n1.0\n0.000000 2.845705 2.845705\n2.845705 0.000000 2.845705\n2.845705 2.845705 0.000000\nMn Al Fe Co\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Mn",
"Al",
"Fe",
"Co"
],
"chemical_system": "Al-Co-Fe-Mn",
"density": 7.086779598011405,
"density_atomic": 0.08678813679102598,
"volume": 46.08924846066756,
"volume_molar": 6.938898543818835,
"formula_full": "Mn1 Al1 Fe1 Co1",
"formula_reduced": "MnAlFeCo",
"formula_anonymous": "ABCD",
"energy": -29.50450158,
"energy_per_atom": -7.376125395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.50450158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9980984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.093000Z",
"spacegroup": 216
},
{
"id": "mp-981933",
"created_at": "2022-09-04T14:40:29.316651Z",
"structure_string": "Na1 Pd2 Pb1\n1.0\n0.000000 3.361600 3.361600\n3.361600 0.000000 3.361600\n3.361600 3.361600 0.000000\nNa Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Pd",
"Pb"
],
"chemical_system": "Na-Pb-Pd",
"density": 9.68308861067839,
"density_atomic": 0.052649213816921045,
"volume": 75.97454377779201,
"volume_molar": 11.438234920166142,
"formula_full": "Na1 Pd2 Pb1",
"formula_reduced": "NaPd2Pb",
"formula_anonymous": "ABC2",
"energy": -16.33031032,
"energy_per_atom": -4.08257758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.33031032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.568000Z",
"spacegroup": 225
},
{
"id": "mp-972965",
"created_at": "2022-09-04T14:40:13.419599Z",
"structure_string": "Gd1 F3\n1.0\n0.000000 2.832415 2.832415\n2.832415 0.000000 2.832415\n2.832415 2.832415 0.000000\nGd F\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Gd",
"F"
],
"chemical_system": "F-Gd",
"density": 7.828157679775827,
"density_atomic": 0.0880155361109673,
"volume": 45.44652202035016,
"volume_molar": 6.842133816474706,
"formula_full": "Gd1 F3",
"formula_reduced": "GdF3",
"formula_anonymous": "AB3",
"energy": -36.26176136,
"energy_per_atom": -9.06544034,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.87576136,
"band_gap": 2.8622,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.9998877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.213000Z",
"spacegroup": 225
},
{
"id": "mp-13126",
"created_at": "2022-09-04T14:40:18.884664Z",
"structure_string": "Zr2 N2\n1.0\n1.789822 -3.100063 0.000000\n1.789822 3.100063 0.000000\n0.000000 0.000000 5.584097\nZr N\n2 2\ndirect\n0.333333 0.666667 0.495946 Zr\n0.666667 0.333333 0.995946 Zr\n0.333333 0.666667 0.880254 N\n0.666667 0.333333 0.380254 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 5.6397290726499625,
"density_atomic": 0.06455006444982181,
"volume": 61.96740520854805,
"volume_molar": 9.329410917445838,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy": -39.41501328,
"energy_per_atom": -9.85375332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.69301328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0431275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.600000Z",
"spacegroup": 186
},
{
"id": "mp-1096422",
"created_at": "2022-09-04T14:40:13.620952Z",
"structure_string": "Ti1 Ag1 Au2\n1.0\n-5.190619 5.610045 7.794729\n5.190619 -5.610045 7.794729\n5.190619 5.610045 -7.794729\nTi Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ag\n0.000000 0.241858 0.241858 Au\n0.000000 0.758142 0.758142 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Ti",
"density": 1.0053176559624222,
"density_atomic": 0.004405685404285484,
"volume": 907.917754660633,
"volume_molar": 136.69021292673696,
"formula_full": "Ti1 Ag1 Au2",
"formula_reduced": "TiAgAu2",
"formula_anonymous": "ABC2",
"energy": -11.05262964,
"energy_per_atom": -2.76315741,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.05262964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0922389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.297000Z",
"spacegroup": 71
},
{
"id": "mp-1186681",
"created_at": "2022-09-04T14:40:13.402434Z",
"structure_string": "Pm1 Y1 Ir2\n1.0\n0.000000 3.483168 3.483168\n3.483168 0.000000 3.483168\n3.483168 3.483168 0.000000\nPm Y Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Y",
"Ir"
],
"chemical_system": "Ir-Pm-Y",
"density": 12.148511596114059,
"density_atomic": 0.04732675526675091,
"volume": 84.51878810314665,
"volume_molar": 12.724600970544063,
"formula_full": "Pm1 Y1 Ir2",
"formula_reduced": "PmYIr2",
"formula_anonymous": "ABC2",
"energy": -31.69596461,
"energy_per_atom": -7.9239911525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.69596461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.133000Z",
"spacegroup": 225
},
{
"id": "mp-1221634",
"created_at": "2022-09-04T14:40:12.727910Z",
"structure_string": "Mn1 Co2 Si1\n1.0\n2.847955 0.000000 0.000000\n0.000000 2.847955 0.000000\n0.000000 0.000000 5.581084\nMn Co Si\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.734230 Co\n0.000000 0.000000 0.265770 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Si"
],
"chemical_system": "Co-Mn-Si",
"density": 7.369236101468549,
"density_atomic": 0.08836396330568484,
"volume": 45.2673222245868,
"volume_molar": 6.815154656618451,
"formula_full": "Mn1 Co2 Si1",
"formula_reduced": "MnCo2Si",
"formula_anonymous": "ABC2",
"energy": -30.09644042,
"energy_per_atom": -7.524110105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.16744042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0634793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.686000Z",
"spacegroup": 123
},
{
"id": "mp-1186233",
"created_at": "2022-09-04T14:40:12.531532Z",
"structure_string": "Nb1 Sn1 Ru2\n1.0\n0.000000 3.203408 3.203408\n3.203408 0.000000 3.203408\n3.203408 3.203408 0.000000\nNb Sn Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Sn",
"Ru"
],
"chemical_system": "Nb-Ru-Sn",
"density": 10.450258607495126,
"density_atomic": 0.06084056355528393,
"volume": 65.745610596873,
"volume_molar": 9.89823303416292,
"formula_full": "Nb1 Sn1 Ru2",
"formula_reduced": "NbSnRu2",
"formula_anonymous": "ABC2",
"energy": -33.55192776,
"energy_per_atom": -8.38798194,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.55192776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8088681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.736000Z",
"spacegroup": 225
},
{
"id": "mp-1097459",
"created_at": "2022-09-04T14:40:31.065063Z",
"structure_string": "Rb2 Au1 Br1\n1.0\n-6.391517 6.398160 9.038464\n6.391517 -6.398160 9.038464\n6.391517 6.398160 -9.038464\nRb Au Br\n2 1 1\ndirect\n0.751434 0.000000 0.751434 Rb\n0.248566 0.000000 0.248566 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb",
"density": 0.502950797307818,
"density_atomic": 0.002705492427272579,
"volume": 1478.473922040292,
"volume_molar": 222.5894517128976,
"formula_full": "Rb2 Au1 Br1",
"formula_reduced": "Rb2AuBr",
"formula_anonymous": "ABC2",
"energy": -9.81862651,
"energy_per_atom": -2.4546566275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.28462651,
"band_gap": 3.2007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.097000Z",
"spacegroup": 71
},
{
"id": "mp-977583",
"created_at": "2022-09-04T14:40:18.961144Z",
"structure_string": "Li1 Np1 Ir2\n1.0\n0.000000 3.209642 3.209642\n3.209642 0.000000 3.209642\n3.209642 3.209642 0.000000\nLi Np Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Np",
"Ir"
],
"chemical_system": "Ir-Li-Np",
"density": 15.778590929034724,
"density_atomic": 0.060486744763520804,
"volume": 66.13019126154688,
"volume_molar": 9.956133006568933,
"formula_full": "Li1 Np1 Ir2",
"formula_reduced": "LiNpIr2",
"formula_anonymous": "ABC2",
"energy": -33.10850069,
"energy_per_atom": -8.2771251725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.10850069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0758153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.863000Z",
"spacegroup": 225
},
{
"id": "mp-1184976",
"created_at": "2022-09-04T14:40:13.110709Z",
"structure_string": "Li2 Cd1 Ag1\n1.0\n0.000000 3.253270 3.253270\n3.253270 0.000000 3.253270\n3.253270 3.253270 0.000000\nLi Cd Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Li",
"density": 5.646426922538254,
"density_atomic": 0.05808575926384028,
"volume": 68.86369483148157,
"volume_molar": 10.367671588221663,
"formula_full": "Li2 Cd1 Ag1",
"formula_reduced": "Li2CdAg",
"formula_anonymous": "ABC2",
"energy": -8.5294042,
"energy_per_atom": -2.13235105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.5294042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.265000Z",
"spacegroup": 225
}
]
}