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=-volume&page=10214",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10212",
"results": [
{
"id": "mp-1523150",
"created_at": "2022-09-04T14:47:10.979948Z",
"structure_string": "Pr1 Eu1 Nb1 Fe1 O6\n1.0\n0.000000 -4.006856 -4.006856\n4.006856 -0.000000 -4.006856\n4.006856 -4.006856 0.000000\nPr Eu Nb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.750128 0.249872 0.249872 O\n0.249872 0.750128 0.750128 O\n0.750128 0.249872 0.750128 O\n0.249872 0.750128 0.249872 O\n0.750128 0.750128 0.249872 O\n0.249872 0.249872 0.750128 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Nb",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-Nb-O-Pr",
"density": 6.938775770287807,
"density_atomic": 0.07772465441807236,
"volume": 128.65930475819295,
"volume_molar": 7.748044433375757,
"formula_full": "Pr1 Eu1 Nb1 Fe1 O6",
"formula_reduced": "PrEuNbFeO6",
"formula_anonymous": "ABCDE6",
"energy": -91.9201165,
"energy_per_atom": -9.192011650000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.5421165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0093092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.332000Z",
"spacegroup": 216
},
{
"id": "mp-1078783",
"created_at": "2022-09-04T14:40:54.943037Z",
"structure_string": "La2 V1 Re1 O6\n1.0\n0.000000 4.006840 4.006840\n4.006840 0.000000 4.006840\n4.006840 4.006840 0.000000\nLa V Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Re\n0.251450 0.251450 0.748550 O\n0.748550 0.748550 0.251450 O\n0.251450 0.748550 0.748550 O\n0.748550 0.251450 0.251450 O\n0.251450 0.748550 0.251450 O\n0.748550 0.251450 0.748550 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"V",
"Re",
"O"
],
"chemical_system": "La-O-Re-V",
"density": 7.885385325630692,
"density_atomic": 0.07772558552545616,
"volume": 128.65776349442703,
"volume_molar": 7.747951616302291,
"formula_full": "La2 V1 Re1 O6",
"formula_reduced": "La2VReO6",
"formula_anonymous": "ABC2D6",
"energy": -87.67089063,
"energy_per_atom": -8.767089063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.84889063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0299999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.946000Z",
"spacegroup": 225
},
{
"id": "mp-1180282",
"created_at": "2022-09-04T14:48:09.447357Z",
"structure_string": "N4 O4\n1.0\n4.273091 0.000000 0.000000\n0.000000 4.403488 0.000000\n0.000000 0.000000 6.837448\nN O\n4 4\ndirect\n0.270990 0.031706 0.878250 N\n0.770990 0.468294 0.121750 N\n0.229010 0.968294 0.378250 N\n0.729010 0.531706 0.621750 N\n0.243678 0.288155 0.839381 O\n0.743678 0.211845 0.160619 O\n0.256322 0.711845 0.339381 O\n0.756322 0.788155 0.660619 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 1.5491220859558008,
"density_atomic": 0.06218089827918034,
"volume": 128.65687407862026,
"volume_molar": 9.684872568038083,
"formula_full": "N4 O4",
"formula_reduced": "NO",
"formula_anonymous": "AB",
"energy": -52.8350968,
"energy_per_atom": -6.6043871,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.0870968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.822000Z",
"spacegroup": 19
},
{
"id": "mp-1070314",
"created_at": "2022-09-04T14:42:11.740668Z",
"structure_string": "Eu1 Cd2 As2\n1.0\n2.253895 -3.903861 0.000000\n2.253895 3.903861 0.000000\n0.000000 0.000000 7.310643\nEu Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.365797 Cd\n0.333333 0.666667 0.634203 Cd\n0.666667 0.333333 0.757530 As\n0.333333 0.666667 0.242470 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Cd",
"As"
],
"chemical_system": "As-Cd-Eu",
"density": 6.797362558558696,
"density_atomic": 0.038864797222163495,
"volume": 128.651127945385,
"volume_molar": 15.495104028397563,
"formula_full": "Eu1 Cd2 As2",
"formula_reduced": "Eu(CdAs)2",
"formula_anonymous": "AB2C2",
"energy": -24.56103791,
"energy_per_atom": -4.912207582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.56103791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9877123,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.719000Z",
"spacegroup": 164
},
{
"id": "mp-1094072",
"created_at": "2022-09-04T14:43:34.031182Z",
"structure_string": "Pr3 Al1 N1\n1.0\n5.048162 0.000000 0.000000\n0.000000 5.048162 0.000000\n0.000000 0.000000 5.048162\nPr Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Al",
"N"
],
"chemical_system": "Al-N-Pr",
"density": 5.985450206849732,
"density_atomic": 0.03886602755790899,
"volume": 128.64705538918736,
"volume_molar": 15.494613518264057,
"formula_full": "Pr3 Al1 N1",
"formula_reduced": "Pr3AlN",
"formula_anonymous": "ABC3",
"energy": -30.35252094,
"energy_per_atom": -6.070504188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.99152094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011412,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.026000Z",
"spacegroup": 221
},
{
"id": "mp-12382",
"created_at": "2022-09-04T14:41:28.434929Z",
"structure_string": "Er2 Si4 Ni2\n1.0\n1.975227 -8.259880 0.000000\n1.975227 8.259880 0.000000\n0.000000 0.000000 3.942507\nEr Si Ni\n2 4 2\ndirect\n0.105419 0.894581 0.250000 Er\n0.894581 0.105419 0.750000 Er\n0.749229 0.250771 0.250000 Si\n0.250771 0.749229 0.750000 Si\n0.539762 0.460238 0.750000 Si\n0.460238 0.539762 0.250000 Si\n0.676108 0.323892 0.750000 Ni\n0.323892 0.676108 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Er",
"Si",
"Ni"
],
"chemical_system": "Er-Ni-Si",
"density": 7.283246051516997,
"density_atomic": 0.06218659342274609,
"volume": 128.6450914848445,
"volume_molar": 9.683985612560138,
"formula_full": "Er2 Si4 Ni2",
"formula_reduced": "ErSi2Ni",
"formula_anonymous": "ABC2",
"energy": -48.98878014,
"energy_per_atom": -6.1235975175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.98878014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.255000Z",
"spacegroup": 63
},
{
"id": "mp-1111945",
"created_at": "2022-09-04T14:43:57.084570Z",
"structure_string": "Na3 Al1 F6\n1.0\n0.000000 4.006663 4.006663\n4.006663 0.000000 4.006663\n4.006663 4.006663 0.000000\nNa Al F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.227043 0.227043 0.772957 F\n0.227043 0.772957 0.772957 F\n0.772957 0.772957 0.227043 F\n0.227043 0.772957 0.227043 F\n0.772957 0.227043 0.772957 F\n0.772957 0.227043 0.227043 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-Na",
"density": 2.709994854782782,
"density_atomic": 0.0777358868932534,
"volume": 128.6407140852713,
"volume_molar": 7.746924876884184,
"formula_full": "Na3 Al1 F6",
"formula_reduced": "Na3AlF6",
"formula_anonymous": "AB3C6",
"energy": -52.5184552,
"energy_per_atom": -5.25184552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.7464552,
"band_gap": 5.8908,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.102000Z",
"spacegroup": 225
},
{
"id": "mp-1521458",
"created_at": "2022-09-04T14:45:16.528234Z",
"structure_string": "Na1 La1 Zr1 V1 O6\n1.0\n0.000000 -4.006613 -4.006613\n4.006613 0.000000 -4.006613\n4.006613 -4.006613 -0.000000\nNa La Zr V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.740640 0.259360 0.259360 O\n0.259360 0.740640 0.740640 O\n0.740640 0.259360 0.740640 O\n0.259360 0.740640 0.259360 O\n0.740640 0.740640 0.259360 O\n0.259360 0.259360 0.740640 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Zr",
"V",
"O"
],
"chemical_system": "La-Na-O-V-Zr",
"density": 5.164269991874878,
"density_atomic": 0.07773879721390298,
"volume": 128.63589814085236,
"volume_molar": 7.746634853932352,
"formula_full": "Na1 La1 Zr1 V1 O6",
"formula_reduced": "NaLaZrVO6",
"formula_anonymous": "ABCDE6",
"energy": -84.24069539,
"energy_per_atom": -8.424069539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.41869539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.251000Z",
"spacegroup": 216
},
{
"id": "mp-1217081",
"created_at": "2022-09-04T14:45:29.190031Z",
"structure_string": "Ti3 Al5\n1.0\n3.920796 0.000000 0.000000\n0.000000 3.920796 0.000000\n0.000000 0.000000 8.367341\nTi Al\n3 5\ndirect\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.251971 Al\n0.000000 0.500000 0.748029 Al\n0.500000 0.000000 0.251971 Al\n0.500000 0.000000 0.748029 Al\n0.000000 0.000000 0.000000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.5954387219674744,
"density_atomic": 0.06219479285014687,
"volume": 128.62813160701938,
"volume_molar": 9.682708927915947,
"formula_full": "Ti3 Al5",
"formula_reduced": "Ti3Al5",
"formula_anonymous": "A3B5",
"energy": -45.59598184,
"energy_per_atom": -5.69949773,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.59598184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.136000Z",
"spacegroup": 123
},
{
"id": "mp-1519998",
"created_at": "2022-09-04T14:48:16.915782Z",
"structure_string": "K1 Pr1 Mn1 Nb1 O6\n1.0\n-0.000000 -4.006490 -4.006490\n4.006490 -0.000000 -4.006490\n4.006490 -4.006490 0.000000\nK Pr Mn Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Pr\n0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.749059 0.250941 0.250941 O\n0.250941 0.749059 0.749059 O\n0.749059 0.250941 0.749059 O\n0.250941 0.749059 0.250941 O\n0.749059 0.749059 0.250941 O\n0.250941 0.250941 0.749059 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Mn",
"Nb",
"O"
],
"chemical_system": "K-Mn-Nb-O-Pr",
"density": 5.471870309790173,
"density_atomic": 0.07774595722100013,
"volume": 128.62405142911894,
"volume_molar": 7.745921428276333,
"formula_full": "K1 Pr1 Mn1 Nb1 O6",
"formula_reduced": "KPrMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.33827328000001,
"energy_per_atom": -8.233827328,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.54827328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.759000Z",
"spacegroup": 216
},
{
"id": "mp-1223840",
"created_at": "2022-09-04T14:42:41.251181Z",
"structure_string": "Ho1 Ag1 Te2\n1.0\n2.252721 -3.901827 0.000000\n2.252721 3.901827 0.000000\n0.000000 0.000000 7.316684\nHo Ag Te\n1 1 2\ndirect\n0.666667 0.333333 0.986647 Ho\n0.000000 0.000000 0.385094 Ag\n0.000000 0.000000 0.766871 Te\n0.333333 0.666667 0.231388 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Ag",
"Te"
],
"chemical_system": "Ag-Ho-Te",
"density": 6.816510233549513,
"density_atomic": 0.03109855999793457,
"volume": 128.62331890176466,
"volume_molar": 19.364693286119888,
"formula_full": "Ho1 Ag1 Te2",
"formula_reduced": "HoAgTe2",
"formula_anonymous": "ABC2",
"energy": -18.09177369,
"energy_per_atom": -4.5229434225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.24777369,
"band_gap": 1.1020000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.606000Z",
"spacegroup": 156
},
{
"id": "mp-754368",
"created_at": "2022-09-04T14:40:33.768700Z",
"structure_string": "Na2 Sb2 O4\n1.0\n3.863168 3.791135 0.000000\n-3.863168 3.791135 0.000000\n0.000000 3.540483 4.391107\nNa Sb O\n2 2 4\ndirect\n0.623117 0.376883 0.750000 Na\n0.376883 0.623117 0.250000 Na\n0.107946 0.892054 0.750000 Sb\n0.892054 0.107946 0.250000 Sb\n0.740429 0.856417 0.747331 O\n0.856417 0.740429 0.247331 O\n0.143583 0.259571 0.752669 O\n0.259571 0.143583 0.252669 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Sb",
"O"
],
"chemical_system": "Na-O-Sb",
"density": 4.563711055896512,
"density_atomic": 0.06219752836026955,
"volume": 128.62247441186472,
"volume_molar": 9.682283072596844,
"formula_full": "Na2 Sb2 O4",
"formula_reduced": "NaSbO2",
"formula_anonymous": "ABC2",
"energy": -45.54723178,
"energy_per_atom": -5.6934039725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.79923178,
"band_gap": 1.4650000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.336000Z",
"spacegroup": 15
}
]
}