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=10234",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10232",
"results": [
{
"id": "mp-979419",
"created_at": "2022-09-04T14:46:01.062051Z",
"structure_string": "Dy3 Y1\n1.0\n5.037867 0.000000 0.000000\n0.000000 5.037867 0.000000\n0.000000 0.000000 5.037867\nDy Y\n3 1\ndirect\n0.500000 0.500000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Y"
],
"chemical_system": "Dy-Y",
"density": 7.485785586888087,
"density_atomic": 0.031283828586401836,
"volume": 127.86158794319321,
"volume_molar": 19.250012009775713,
"formula_full": "Dy3 Y1",
"formula_reduced": "Dy3Y",
"formula_anonymous": "AB3",
"energy": -20.18072342,
"energy_per_atom": -5.045180855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18072342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.816000Z",
"spacegroup": 221
},
{
"id": "mp-23102",
"created_at": "2022-09-04T14:42:19.694429Z",
"structure_string": "Sr2 Cu1 Cl2 O2\n1.0\n-1.994805 1.994805 8.032796\n1.994805 -1.994805 8.032796\n1.994805 1.994805 -8.032796\nSr Cu Cl O\n2 1 2 2\ndirect\n0.606459 0.606459 0.000000 Sr\n0.393541 0.393541 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.182409 0.182409 0.000000 Cl\n0.817591 0.817591 0.000000 Cl\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 4.437667488481293,
"density_atomic": 0.05474827179912878,
"volume": 127.85791715367704,
"volume_molar": 10.999691062569452,
"formula_full": "Sr2 Cu1 Cl2 O2",
"formula_reduced": "Sr2Cu(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy": -38.21410129,
"energy_per_atom": -5.459157327142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.61210129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075838,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.441000Z",
"spacegroup": 139
},
{
"id": "mp-20174",
"created_at": "2022-09-04T14:44:51.629847Z",
"structure_string": "Ni3 Sn4\n1.0\n2.046961 6.140288 0.000000\n-2.046961 6.140288 0.000000\n0.000000 1.381147 5.086268\nNi Sn\n3 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.784136 0.784136 0.336500 Ni\n0.215864 0.215864 0.663500 Ni\n0.571729 0.571729 0.687443 Sn\n0.428271 0.428271 0.312557 Sn\n0.828172 0.828172 0.812216 Sn\n0.171828 0.171828 0.187784 Sn\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn",
"density": 8.453748072947574,
"density_atomic": 0.05474828189956869,
"volume": 127.8578935653348,
"volume_molar": 10.999689033250636,
"formula_full": "Ni3 Sn4",
"formula_reduced": "Ni3Sn4",
"formula_anonymous": "A3B4",
"energy": -34.9381583,
"energy_per_atom": -4.991165471428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9381583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001203,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.601000Z",
"spacegroup": 12
},
{
"id": "mp-1520035",
"created_at": "2022-09-04T14:40:18.853056Z",
"structure_string": "Ca1 Nd1 Fe1 Sn1 O6\n1.0\n0.000000 -3.998512 -3.998512\n3.998512 0.000000 -3.998512\n3.998512 -3.998512 0.000000\nCa Nd Fe Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Sn\n0.753300 0.246700 0.246700 O\n0.246700 0.753300 0.753300 O\n0.753300 0.246700 0.753300 O\n0.246700 0.753300 0.246700 O\n0.753300 0.753300 0.246700 O\n0.246700 0.246700 0.753300 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Nd",
"Fe",
"Sn",
"O"
],
"chemical_system": "Ca-Fe-Nd-O-Sn",
"density": 5.907619591669544,
"density_atomic": 0.07821225240774031,
"volume": 127.8572051328667,
"volume_molar": 7.699740864903177,
"formula_full": "Ca1 Nd1 Fe1 Sn1 O6",
"formula_reduced": "CaNdFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -74.37179706,
"energy_per_atom": -7.437179706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.99379706,
"band_gap": 2.208,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.445000Z",
"spacegroup": 216
},
{
"id": "mp-1217891",
"created_at": "2022-09-04T14:41:04.795672Z",
"structure_string": "Ta1 Ti1 Al6\n1.0\n3.846422 0.000000 0.000000\n0.000000 3.846422 0.000000\n0.000000 0.000000 8.641904\nTa Ti Al\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.250795 Al\n0.500000 0.000000 0.749205 Al\n0.500000 0.000000 0.250795 Al\n0.000000 0.500000 0.749205 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Al"
],
"chemical_system": "Al-Ta-Ti",
"density": 5.074272446057616,
"density_atomic": 0.0625700770031183,
"volume": 127.85664303403853,
"volume_molar": 9.624633768150668,
"formula_full": "Ta1 Ti1 Al6",
"formula_reduced": "TaTiAl6",
"formula_anonymous": "ABC6",
"energy": -45.10135104,
"energy_per_atom": -5.63766888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.10135104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.698000Z",
"spacegroup": 123
},
{
"id": "mp-1206640",
"created_at": "2022-09-04T14:45:16.479662Z",
"structure_string": "Rb2 Fe1 F4\n1.0\n-2.156722 2.156722 6.871801\n2.156722 -2.156722 6.871801\n2.156722 2.156722 -6.871801\nRb Fe F\n2 1 4\ndirect\n0.355481 0.355481 0.000000 Rb\n0.644519 0.644519 0.000000 Rb\n0.000000 0.000000 0.000000 Fe\n0.149690 0.149690 0.000000 F\n0.850310 0.850310 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"F"
],
"chemical_system": "F-Fe-Rb",
"density": 3.9323220505054337,
"density_atomic": 0.054749371433211555,
"volume": 127.85534914385748,
"volume_molar": 10.99947013518936,
"formula_full": "Rb2 Fe1 F4",
"formula_reduced": "Rb2FeF4",
"formula_anonymous": "AB2C4",
"energy": -37.88031945,
"energy_per_atom": -5.411474207142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.77631945,
"band_gap": 2.8943000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997574,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.244000Z",
"spacegroup": 139
},
{
"id": "mp-754194",
"created_at": "2022-09-04T14:41:32.919827Z",
"structure_string": "Fe4 O7 F1\n1.0\n3.209297 -3.304840 0.000000\n3.209297 3.304840 0.000000\n0.000000 0.000000 6.027377\nFe O F\n4 7 1\ndirect\n0.991901 0.008099 0.741485 Fe\n0.991901 0.008099 0.258515 Fe\n0.495703 0.504297 0.500000 Fe\n0.519028 0.480972 0.000000 Fe\n0.796821 0.203179 0.500000 O\n0.816514 0.183486 0.000000 O\n0.306968 0.306611 0.753452 O\n0.306968 0.306611 0.246548 O\n0.693389 0.693032 0.753452 O\n0.693389 0.693032 0.246548 O\n0.186490 0.813510 0.500000 O\n0.200930 0.799070 0.000000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.602486214732467,
"density_atomic": 0.09385610890535671,
"volume": 127.85528976169942,
"volume_molar": 6.416354598796174,
"formula_full": "Fe4 O7 F1",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy": -87.93096352,
"energy_per_atom": -7.327580293333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.63596352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.1082758,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.849000Z",
"spacegroup": 38
},
{
"id": "mp-1206996",
"created_at": "2022-09-04T14:40:17.043207Z",
"structure_string": "La3 Al1 O1\n1.0\n5.037775 0.000000 0.000000\n0.000000 5.037775 0.000000\n0.000000 0.000000 5.037775\nLa Al O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Al",
"O"
],
"chemical_system": "Al-La-O",
"density": 5.970418793614419,
"density_atomic": 0.03910692817047999,
"volume": 127.85458316243485,
"volume_molar": 15.399165932306172,
"formula_full": "La3 Al1 O1",
"formula_reduced": "La3AlO",
"formula_anonymous": "ABC3",
"energy": -30.87111371,
"energy_per_atom": -6.1742227419999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.18411371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0228462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.901000Z",
"spacegroup": 221
},
{
"id": "mp-1521800",
"created_at": "2022-09-04T14:45:40.136555Z",
"structure_string": "Na1 Ca1 Eu1 Se1 O6\n1.0\n0.000000 -3.998423 -3.998423\n3.998423 0.000000 -3.998423\n3.998423 -3.998423 0.000000\nNa Ca Eu Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Se\n0.724741 0.275259 0.275259 O\n0.275259 0.724741 0.724741 O\n0.724741 0.275259 0.724741 O\n0.275259 0.724741 0.275259 O\n0.724741 0.724741 0.275259 O\n0.275259 0.275259 0.724741 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Eu",
"Se",
"O"
],
"chemical_system": "Ca-Eu-Na-O-Se",
"density": 5.065290099306992,
"density_atomic": 0.07821747525090098,
"volume": 127.84866767845222,
"volume_molar": 7.699226727381016,
"formula_full": "Na1 Ca1 Eu1 Se1 O6",
"formula_reduced": "NaCaEuSeO6",
"formula_anonymous": "ABCDE6",
"energy": -68.62564002,
"energy_per_atom": -6.862564002000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.50364002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9973486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.730000Z",
"spacegroup": 216
},
{
"id": "mp-1187502",
"created_at": "2022-09-04T14:40:44.201434Z",
"structure_string": "Tl3 Bi1\n1.0\n5.037685 0.000000 0.000000\n0.000000 5.037685 0.000000\n0.000000 0.000000 5.037685\nTl Bi\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Bi"
],
"chemical_system": "Bi-Tl",
"density": 10.678167467656055,
"density_atomic": 0.031287219347736046,
"volume": 127.84773090707537,
"volume_molar": 19.24792578422526,
"formula_full": "Tl3 Bi1",
"formula_reduced": "Tl3Bi",
"formula_anonymous": "AB3",
"energy": -11.11853098,
"energy_per_atom": -2.779632745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.11853098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.852000Z",
"spacegroup": 221
},
{
"id": "mp-1078539",
"created_at": "2022-09-04T14:41:27.597860Z",
"structure_string": "Sr2 Mg1 Mo1 O6\n1.0\n-2.819724 2.819724 4.019856\n2.819724 -2.819724 4.019856\n2.819724 2.819724 -4.019856\nSr Mg Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mo\n0.758177 0.758177 0.000000 O\n0.241823 0.241823 0.000000 O\n0.791174 0.726173 0.517347 O\n0.208826 0.273827 0.482653 O\n0.726173 0.208826 0.935000 O\n0.273827 0.791174 0.065000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Sr",
"density": 5.084831210994781,
"density_atomic": 0.07821972973437304,
"volume": 127.84498276789084,
"volume_molar": 7.69900481688013,
"formula_full": "Sr2 Mg1 Mo1 O6",
"formula_reduced": "Sr2MgMoO6",
"formula_anonymous": "ABC2D6",
"energy": -74.15587565999999,
"energy_per_atom": -7.415587565999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.83187566,
"band_gap": 2.3466,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.283000Z",
"spacegroup": 87
},
{
"id": "mp-546295",
"created_at": "2022-09-04T14:40:58.453016Z",
"structure_string": "Sr2 Cu1 Os1 O6\n1.0\n4.791934 -0.001877 -2.567701\n-1.378906 4.588117 -2.567291\n0.019144 0.026249 5.786263\nSr Cu Os O\n2 1 1 6\ndirect\n0.750075 0.250057 0.500138 Sr\n0.249924 0.749941 0.499861 Sr\n0.000008 0.000005 0.000005 Cu\n0.499999 0.499999 0.999999 Os\n0.726381 0.726395 0.452654 O\n0.199917 0.687779 0.000037 O\n0.273618 0.273604 0.547345 O\n0.800082 0.312220 0.999962 O\n0.312264 0.199992 0.000080 O\n0.687734 0.800006 0.999919 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Os",
"O"
],
"chemical_system": "Cu-O-Os-Sr",
"density": 6.8193288045604605,
"density_atomic": 0.0782209295703825,
"volume": 127.84302174524899,
"volume_molar": 7.6988867213363035,
"formula_full": "Sr2 Cu1 Os1 O6",
"formula_reduced": "Sr2CuOsO6",
"formula_anonymous": "ABC2D6",
"energy": -69.88538899,
"energy_per_atom": -6.988538899,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.76338899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0024149,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.671000Z",
"spacegroup": 87
}
]
}