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=-energy&page=156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=154",
"results": [
{
"id": "mp-1185380",
"created_at": "2022-09-04T14:39:44.967631Z",
"structure_string": "Li2 Mg2\n1.0\n-1.757138 2.427372 4.775510\n1.757138 -2.427372 4.775510\n1.757138 2.427372 -4.775510\nLi Mg\n2 2\ndirect\n0.382687 0.632687 0.750000 Li\n0.617313 0.367313 0.250000 Li\n0.133765 0.883765 0.250000 Mg\n0.866235 0.116235 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2736542891697327,
"density_atomic": 0.04909508680540552,
"volume": 81.47454786778353,
"volume_molar": 12.266279890428759,
"formula_full": "Li2 Mg2",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -7.22753058,
"energy_per_atom": -1.806882645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.22753058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.444000Z",
"spacegroup": 74
},
{
"id": "mp-961672",
"created_at": "2022-09-04T14:40:44.152225Z",
"structure_string": "Sr1 Al1 Ga1\n1.0\n0.000000 3.632300 3.632300\n3.632300 0.000000 3.632300\n3.632300 3.632300 0.000000\nSr Al Ga\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sr",
"density": 3.1934279724834043,
"density_atomic": 0.03130012896263784,
"volume": 95.84625046053398,
"volume_molar": 19.239987053051685,
"formula_full": "Sr1 Al1 Ga1",
"formula_reduced": "SrAlGa",
"formula_anonymous": "ABC",
"energy": -7.2276844,
"energy_per_atom": -2.4092281333333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.2276844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.365000Z",
"spacegroup": 216
},
{
"id": "mp-1093850",
"created_at": "2022-09-04T14:48:07.497782Z",
"structure_string": "Na1 Sc1 In2\n1.0\n-6.028607 6.295542 9.062646\n6.028607 -6.295542 9.062646\n6.028607 6.295542 -9.062646\nNa Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sc\n0.000000 0.257637 0.257637 In\n0.000000 0.742363 0.742363 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sc",
"In"
],
"chemical_system": "In-Na-Sc",
"density": 0.35916183685480496,
"density_atomic": 0.002907333715709627,
"volume": 1375.8310504178476,
"volume_molar": 207.13620618987338,
"formula_full": "Na1 Sc1 In2",
"formula_reduced": "NaScIn2",
"formula_anonymous": "ABC2",
"energy": -7.22819946,
"energy_per_atom": -1.807049865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.22819946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3540437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.453000Z",
"spacegroup": 71
},
{
"id": "mp-1096093",
"created_at": "2022-09-04T14:44:22.662348Z",
"structure_string": "Li1 Y2 Cd1\n1.0\n-6.263055 6.325734 8.922546\n6.263055 -6.325734 8.922546\n6.263055 6.325734 -8.922546\nLi Y Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.254224 0.254224 Y\n0.000000 0.745776 0.745776 Y\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Cd"
],
"chemical_system": "Cd-Li-Y",
"density": 0.3489786967178001,
"density_atomic": 0.002828876924876369,
"volume": 1413.9886980678075,
"volume_molar": 212.88097432033692,
"formula_full": "Li1 Y2 Cd1",
"formula_reduced": "LiY2Cd",
"formula_anonymous": "ABC2",
"energy": -7.23039326,
"energy_per_atom": -1.807598315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.23039326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9998017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.164000Z",
"spacegroup": 71
},
{
"id": "mp-1096155",
"created_at": "2022-09-04T14:45:02.548384Z",
"structure_string": "Li1 Ag1 Pb2\n1.0\n-5.547650 6.124165 8.655279\n5.547650 -6.124165 8.655279\n5.547650 6.124165 -8.655279\nLi Ag Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.257688 0.257688 Pb\n0.000000 0.742312 0.742312 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Pb"
],
"chemical_system": "Ag-Li-Pb",
"density": 0.7471012844052582,
"density_atomic": 0.003400658263854875,
"volume": 1176.2428593650368,
"volume_molar": 177.0875016760284,
"formula_full": "Li1 Ag1 Pb2",
"formula_reduced": "LiAgPb2",
"formula_anonymous": "ABC2",
"energy": -7.2305293,
"energy_per_atom": -1.807632325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.2305293,
"band_gap": 0.1432000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.009000Z",
"spacegroup": 71
},
{
"id": "mp-976289",
"created_at": "2022-09-04T14:40:33.353853Z",
"structure_string": "Na1 Cd2 Au1\n1.0\n0.000000 3.476538 3.476538\n3.476538 0.000000 3.476538\n3.476538 3.476538 0.000000\nNa Cd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Na",
"density": 8.788642270138004,
"density_atomic": 0.047598038216536194,
"volume": 84.03707694428353,
"volume_molar": 12.652077660435653,
"formula_full": "Na1 Cd2 Au1",
"formula_reduced": "NaCd2Au",
"formula_anonymous": "ABC2",
"energy": -7.2312741,
"energy_per_atom": -1.807818525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.2312741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.495000Z",
"spacegroup": 225
},
{
"id": "mp-6907",
"created_at": "2022-09-04T14:46:08.037647Z",
"structure_string": "Sr1 Si1\n1.0\n3.803386 0.000000 0.000000\n0.000000 3.803386 0.000000\n0.000000 0.000000 3.803386\nSr Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.4921419616133385,
"density_atomic": 0.0363512027587377,
"volume": 55.01881225977488,
"volume_molar": 16.566551593818904,
"formula_full": "Sr1 Si1",
"formula_reduced": "SrSi",
"formula_anonymous": "AB",
"energy": -7.23165691,
"energy_per_atom": -3.615828455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.30265691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.496000Z",
"spacegroup": 221
},
{
"id": "mp-974795",
"created_at": "2022-09-04T14:42:06.386446Z",
"structure_string": "Rb3 Ti1\n1.0\n-3.201342 3.201342 6.098700\n3.201342 -3.201342 6.098700\n3.201342 3.201342 -6.098700\nRb Ti\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ti"
],
"chemical_system": "Rb-Ti",
"density": 2.0209119697269258,
"density_atomic": 0.01599921168732834,
"volume": 250.01231799239656,
"volume_molar": 37.640234267102315,
"formula_full": "Rb3 Ti1",
"formula_reduced": "Rb3Ti",
"formula_anonymous": "AB3",
"energy": -7.2362174,
"energy_per_atom": -1.80905435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.2362174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4831602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.478000Z",
"spacegroup": 139
},
{
"id": "mp-1222037",
"created_at": "2022-09-04T14:46:25.211836Z",
"structure_string": "Mg1 In2\n1.0\n-1.678851 1.678851 6.631054\n1.678851 -1.678851 6.631054\n1.678851 1.678851 -6.631054\nMg In\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.339334 0.339334 0.000000 In\n0.660666 0.660666 0.000000 In\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 5.640466959850701,
"density_atomic": 0.04012863538706475,
"volume": 74.75958180643825,
"volume_molar": 15.00709082657021,
"formula_full": "Mg1 In2",
"formula_reduced": "MgIn2",
"formula_anonymous": "AB2",
"energy": -7.236225539999999,
"energy_per_atom": -2.4120751799999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.236225539999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.713000Z",
"spacegroup": 139
},
{
"id": "mp-1094757",
"created_at": "2022-09-04T14:41:00.165344Z",
"structure_string": "Mg2 Cd4\n1.0\n2.681367 -4.735609 0.000000\n2.681367 4.735609 0.000000\n0.000000 0.000000 5.177183\nMg Cd\n2 4\ndirect\n0.674516 0.674516 0.750000 Mg\n0.325484 0.325484 0.250000 Mg\n0.002158 0.335410 0.750000 Cd\n0.335410 0.002158 0.750000 Cd\n0.664590 0.997842 0.250000 Cd\n0.997842 0.664590 0.250000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.292805112029246,
"density_atomic": 0.045634746341806136,
"volume": 131.47876302543136,
"volume_molar": 13.196393631497186,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -7.24528306,
"energy_per_atom": -1.2075471766666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.24528306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.707000Z",
"spacegroup": 63
},
{
"id": "mp-1063660",
"created_at": "2022-09-04T14:39:27.367963Z",
"structure_string": "Cs2 Al2\n1.0\n0.000000 4.177321 4.177321\n4.177321 0.000000 4.177321\n4.177321 4.177321 0.000000\nCs Al\n2 2\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Al"
],
"chemical_system": "Al-Cs",
"density": 3.642240990518007,
"density_atomic": 0.027436988920397767,
"volume": 145.7885926041337,
"volume_molar": 21.948985646609703,
"formula_full": "Cs2 Al2",
"formula_reduced": "CsAl",
"formula_anonymous": "AB",
"energy": -7.24769828,
"energy_per_atom": -1.81192457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.24769828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.59e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.134000Z",
"spacegroup": 227
},
{
"id": "mp-1185370",
"created_at": "2022-09-04T14:42:42.907506Z",
"structure_string": "Li2 Mg2\n1.0\n3.340249 0.000000 0.000000\n0.000000 4.912625 0.000000\n0.000000 0.000000 4.933959\nLi Mg\n2 2\ndirect\n0.000000 0.750000 0.742883 Li\n0.000000 0.250000 0.257117 Li\n0.500000 0.250000 0.756127 Mg\n0.500000 0.750000 0.243873 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2816974746776861,
"density_atomic": 0.049405124540183906,
"volume": 80.96326114402525,
"volume_molar": 12.189303874948969,
"formula_full": "Li2 Mg2",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -7.25054469,
"energy_per_atom": -1.8126361725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.25054469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.177000Z",
"spacegroup": 51
}
]
}