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=spacegroup&page=10264",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10262",
"results": [
{
"id": "mp-1185853",
"created_at": "2022-09-04T14:42:40.963870Z",
"structure_string": "Mg2 Co6\n1.0\n2.607361 -4.516082 0.000000\n2.607361 4.516082 0.000000\n0.000000 0.000000 4.197786\nMg Co\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.159382 0.318764 0.250000 Co\n0.681236 0.840618 0.250000 Co\n0.159382 0.840618 0.250000 Co\n0.840618 0.159382 0.750000 Co\n0.318764 0.159382 0.750000 Co\n0.840618 0.681236 0.750000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Co"
],
"chemical_system": "Co-Mg",
"density": 6.755971218215002,
"density_atomic": 0.08092388278598309,
"volume": 98.85833112033632,
"volume_molar": 7.441734816316922,
"formula_full": "Mg2 Co6",
"formula_reduced": "MgCo3",
"formula_anonymous": "AB3",
"energy": -44.52500533,
"energy_per_atom": -5.56562566625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.52500533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0576957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.001000Z",
"spacegroup": 194
},
{
"id": "mp-1210018",
"created_at": "2022-09-04T14:42:41.501876Z",
"structure_string": "Nd8 Si12 Pd4\n1.0\n-4.123592 -7.142270 0.000000\n-4.123592 7.142270 0.000000\n0.000000 0.000000 -8.521464\nNd Si Pd\n8 12 4\ndirect\n0.496718 0.503282 0.750000 Nd\n0.503282 0.496718 0.250000 Nd\n0.006564 0.503282 0.750000 Nd\n0.993436 0.496718 0.250000 Nd\n0.496718 0.993436 0.750000 Nd\n0.503282 0.006564 0.250000 Nd\n0.000000 0.000000 0.750000 Nd\n0.000000 0.000000 0.250000 Nd\n0.834139 0.165861 0.999457 Si\n0.165861 0.834139 0.000543 Si\n0.331722 0.165861 0.999457 Si\n0.165861 0.834139 0.499457 Si\n0.668278 0.834139 0.000543 Si\n0.834139 0.165861 0.500543 Si\n0.834139 0.668278 0.999457 Si\n0.668278 0.834139 0.499457 Si\n0.165861 0.331722 0.000543 Si\n0.331722 0.165861 0.500543 Si\n0.165861 0.331722 0.499457 Si\n0.834139 0.668278 0.500543 Si\n0.666667 0.333333 0.988235 Pd\n0.333333 0.666667 0.011765 Pd\n0.333333 0.666667 0.488235 Pd\n0.666667 0.333333 0.511765 Pd\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Pd"
],
"chemical_system": "Nd-Pd-Si",
"density": 6.340652272387676,
"density_atomic": 0.047814000328985536,
"volume": 501.9450335647999,
"volume_molar": 12.594931857958958,
"formula_full": "Nd8 Si12 Pd4",
"formula_reduced": "Nd2Si3Pd",
"formula_anonymous": "AB2C3",
"energy": -145.5117733,
"energy_per_atom": -6.062990554166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.5117733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.027000Z",
"spacegroup": 194
},
{
"id": "mp-1237224",
"created_at": "2022-09-04T14:42:41.647287Z",
"structure_string": "Zr2 Al2 Cr6\n1.0\n2.949850 -5.109290 0.000000\n2.949850 5.109290 0.000000\n0.000000 0.000000 5.279331\nZr Al Cr\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.791850 0.208150 0.750000 Cr\n0.791850 0.583700 0.750000 Cr\n0.416300 0.208150 0.750000 Cr\n0.208150 0.791850 0.250000 Cr\n0.208150 0.416300 0.250000 Cr\n0.583700 0.791850 0.250000 Cr\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Zr",
"density": 5.722257680601028,
"density_atomic": 0.06283919690797755,
"volume": 159.1363431115155,
"volume_molar": 9.583414582492027,
"formula_full": "Zr2 Al2 Cr6",
"formula_reduced": "ZrAlCr3",
"formula_anonymous": "ABC3",
"energy": -77.28974755,
"energy_per_atom": -7.728974755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.28974755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0722268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.613000Z",
"spacegroup": 194
},
{
"id": "mp-754480",
"created_at": "2022-09-04T14:42:42.332761Z",
"structure_string": "Gd2 Y2 O4\n1.0\n1.814779 -3.143289 0.000000\n1.814779 3.143289 0.000000\n0.000000 0.000000 13.120935\nGd Y O\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.080006 O\n0.333333 0.666667 0.419994 O\n0.666667 0.333333 0.919994 O\n0.666667 0.333333 0.580006 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Gd",
"Y",
"O"
],
"chemical_system": "Gd-O-Y",
"density": 6.1710999451927435,
"density_atomic": 0.05344254719713915,
"volume": 149.69346372076086,
"volume_molar": 11.26843886722969,
"formula_full": "Gd2 Y2 O4",
"formula_reduced": "GdYO2",
"formula_anonymous": "ABC2",
"energy": -86.54566962,
"energy_per_atom": -10.8182087025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.79766962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0445373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.177000Z",
"spacegroup": 194
},
{
"id": "mp-22237",
"created_at": "2022-09-04T14:42:42.623433Z",
"structure_string": "Ce2 Mg2 Cu4\n1.0\n2.300675 -3.984885 0.000000\n2.300675 3.984885 0.000000\n0.000000 0.000000 8.412936\nCe Mg Cu\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.250000 Ce\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.589113 Cu\n0.666667 0.333333 0.089113 Cu\n0.666667 0.333333 0.410887 Cu\n0.333333 0.666667 0.910887 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Cu"
],
"chemical_system": "Ce-Cu-Mg",
"density": 6.276078591032576,
"density_atomic": 0.05186105416785108,
"volume": 154.25833755919368,
"volume_molar": 11.612067777313237,
"formula_full": "Ce2 Mg2 Cu4",
"formula_reduced": "CeMgCu2",
"formula_anonymous": "ABC2",
"energy": -32.43388245,
"energy_per_atom": -4.05423530625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.43388245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9485348,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.275000Z",
"spacegroup": 194
},
{
"id": "mp-1194092",
"created_at": "2022-09-04T14:42:42.658285Z",
"structure_string": "Hf18 Mo8 S2\n1.0\n4.341765 -7.520157 0.000000\n4.341765 7.520157 0.000000\n0.000000 0.000000 8.530052\nHf Mo S\n18 8 2\ndirect\n0.197183 0.802817 0.449370 Hf\n0.197183 0.394366 0.449370 Hf\n0.605634 0.802817 0.449370 Hf\n0.802817 0.197183 0.550630 Hf\n0.802817 0.605634 0.550630 Hf\n0.394366 0.197183 0.550630 Hf\n0.802817 0.197183 0.949370 Hf\n0.802817 0.605634 0.949370 Hf\n0.394366 0.197183 0.949370 Hf\n0.197183 0.802817 0.050630 Hf\n0.197183 0.394366 0.050630 Hf\n0.605634 0.802817 0.050630 Hf\n0.542442 0.457558 0.250000 Hf\n0.542442 0.084884 0.250000 Hf\n0.915116 0.457558 0.250000 Hf\n0.457558 0.542442 0.750000 Hf\n0.457558 0.915116 0.750000 Hf\n0.084884 0.542442 0.750000 Hf\n0.889129 0.110871 0.250000 Mo\n0.889129 0.778257 0.250000 Mo\n0.221743 0.110871 0.250000 Mo\n0.110871 0.889129 0.750000 Mo\n0.110871 0.221743 0.750000 Mo\n0.778257 0.889129 0.750000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Mo",
"S"
],
"chemical_system": "Hf-Mo-S",
"density": 12.056904488872544,
"density_atomic": 0.050267019600462606,
"volume": 557.0252667166748,
"volume_molar": 11.980302010872709,
"formula_full": "Hf18 Mo8 S2",
"formula_reduced": "Hf9Mo4S",
"formula_anonymous": "AB4C9",
"energy": -283.49587108,
"energy_per_atom": -10.124852538571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.48987108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095321,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.663000Z",
"spacegroup": 194
},
{
"id": "mp-972002",
"created_at": "2022-09-04T14:42:42.668006Z",
"structure_string": "Ac6 Yb2\n1.0\n3.975639 -6.886008 0.000000\n3.975639 6.886008 0.000000\n0.000000 0.000000 6.397539\nAc Yb\n6 2\ndirect\n0.166489 0.332977 0.250000 Ac\n0.667023 0.833511 0.250000 Ac\n0.166489 0.833511 0.250000 Ac\n0.833511 0.667023 0.750000 Ac\n0.332977 0.166489 0.750000 Ac\n0.833511 0.166489 0.750000 Ac\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Yb"
],
"chemical_system": "Ac-Yb",
"density": 8.097293887581671,
"density_atomic": 0.02283876332862906,
"volume": 350.2816630168309,
"volume_molar": 26.368068504178027,
"formula_full": "Ac6 Yb2",
"formula_reduced": "Ac3Yb",
"formula_anonymous": "AB3",
"energy": -27.35884084,
"energy_per_atom": -3.419855105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.35884084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6337291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.091000Z",
"spacegroup": 194
},
{
"id": "mp-1187109",
"created_at": "2022-09-04T14:42:42.717329Z",
"structure_string": "Sr6 Ac2\n1.0\n4.185855 -7.250113 0.000000\n4.185855 7.250113 0.000000\n0.000000 0.000000 6.745702\nSr Ac\n6 2\ndirect\n0.169928 0.339856 0.250000 Sr\n0.660144 0.830072 0.250000 Sr\n0.169928 0.830072 0.250000 Sr\n0.830072 0.660144 0.750000 Sr\n0.339856 0.169928 0.750000 Sr\n0.830072 0.169928 0.750000 Sr\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ac"
],
"chemical_system": "Ac-Sr",
"density": 3.973424526962224,
"density_atomic": 0.019539069782282377,
"volume": 409.4360729114256,
"volume_molar": 30.821020791177848,
"formula_full": "Sr6 Ac2",
"formula_reduced": "Sr3Ac",
"formula_anonymous": "AB3",
"energy": -17.61314783,
"energy_per_atom": -2.20164347875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.61314783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5321135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.310000Z",
"spacegroup": 194
},
{
"id": "mp-1187855",
"created_at": "2022-09-04T14:42:43.214134Z",
"structure_string": "Y2 O2\n1.0\n2.006545 -3.475438 0.000000\n2.006545 3.475438 0.000000\n0.000000 0.000000 4.842214\nY O\n2 2\ndirect\n0.666667 0.333333 0.750000 Y\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.250000 O\n0.333333 0.666667 0.750000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"O"
],
"chemical_system": "O-Y",
"density": 5.158742996076456,
"density_atomic": 0.05922806814296238,
"volume": 67.53554734125309,
"volume_molar": 10.167714309816748,
"formula_full": "Y2 O2",
"formula_reduced": "YO",
"formula_anonymous": "AB",
"energy": -35.20927888,
"energy_per_atom": -8.80231972,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.83527888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6376862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.985000Z",
"spacegroup": 194
},
{
"id": "mp-1086669",
"created_at": "2022-09-04T14:42:42.993209Z",
"structure_string": "Ni2 P4 W2\n1.0\n1.674130 -2.899678 0.000000\n1.674130 2.899678 0.000000\n0.000000 0.000000 11.251637\nNi P W\n2 4 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.386854 P\n0.666667 0.333333 0.613146 P\n0.666667 0.333333 0.886854 P\n0.333333 0.666667 0.113146 P\n0.000000 0.000000 0.250000 W\n0.000000 0.000000 0.750000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"P",
"W"
],
"chemical_system": "Ni-P-W",
"density": 9.25666445678914,
"density_atomic": 0.07323274721294185,
"volume": 109.24074685793329,
"volume_molar": 8.223289428825026,
"formula_full": "Ni2 P4 W2",
"formula_reduced": "NiP2W",
"formula_anonymous": "ABC2",
"energy": -62.8662091,
"energy_per_atom": -7.8582761375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.8662091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.69e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.265000Z",
"spacegroup": 194
},
{
"id": "mp-31079",
"created_at": "2022-09-04T14:42:43.232903Z",
"structure_string": "Ce6 Al24 Ru8\n1.0\n4.447203 -7.702781 0.000000\n4.447203 7.702781 0.000000\n0.000000 0.000000 9.550463\nCe Al Ru\n6 24 8\ndirect\n0.806198 0.612396 0.750000 Ce\n0.193802 0.806198 0.250000 Ce\n0.612396 0.806198 0.250000 Ce\n0.387604 0.193802 0.750000 Ce\n0.806198 0.193802 0.750000 Ce\n0.193802 0.387604 0.250000 Ce\n0.333333 0.666667 0.484490 Al\n0.666667 0.333333 0.984490 Al\n0.666667 0.333333 0.515510 Al\n0.333333 0.666667 0.015510 Al\n0.162322 0.324644 0.577480 Al\n0.675356 0.837678 0.577480 Al\n0.162322 0.837678 0.577480 Al\n0.837678 0.162322 0.077480 Al\n0.837678 0.162322 0.422520 Al\n0.837678 0.675356 0.077480 Al\n0.324644 0.162322 0.077480 Al\n0.675356 0.837678 0.922520 Al\n0.162322 0.324644 0.922520 Al\n0.837678 0.675356 0.422520 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.562081 0.124162 0.250000 Al\n0.437919 0.562081 0.750000 Al\n0.124162 0.562081 0.750000 Al\n0.875838 0.437919 0.250000 Al\n0.562081 0.437919 0.250000 Al\n0.437919 0.875838 0.750000 Al\n0.162322 0.837678 0.922520 Al\n0.324644 0.162322 0.422520 Al\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Ru"
],
"chemical_system": "Al-Ce-Ru",
"density": 5.828889127780404,
"density_atomic": 0.058075729007016914,
"volume": 654.3180886357657,
"volume_molar": 10.369462188365098,
"formula_full": "Ce6 Al24 Ru8",
"formula_reduced": "Ce3(Al3Ru)4",
"formula_anonymous": "A3B4C12",
"energy": -224.2667882,
"energy_per_atom": -5.901757584210526,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.2667882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0929561,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.618000Z",
"spacegroup": 194
},
{
"id": "mp-984102",
"created_at": "2022-09-04T14:42:43.288086Z",
"structure_string": "Fe6 H2\n1.0\n2.576363 -4.462391 0.000000\n2.576363 4.462391 0.000000\n0.000000 0.000000 3.613088\nFe H\n6 2\ndirect\n0.172727 0.345455 0.250000 Fe\n0.654545 0.827273 0.250000 Fe\n0.172727 0.827273 0.250000 Fe\n0.827273 0.654545 0.750000 Fe\n0.345455 0.172727 0.750000 Fe\n0.827273 0.172727 0.750000 Fe\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 6.737619002785531,
"density_atomic": 0.09629567405445073,
"volume": 83.07745990205511,
"volume_molar": 6.253801968917896,
"formula_full": "Fe6 H2",
"formula_reduced": "Fe3H",
"formula_anonymous": "AB3",
"energy": -53.07645385,
"energy_per_atom": -6.63455673125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.71845385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.7045276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.724000Z",
"spacegroup": 194
}
]
}