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=68",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=66",
"results": [
{
"id": "mp-97",
"created_at": "2022-09-04T14:43:05.919019Z",
"structure_string": "Pr1\n1.0\n0.000000 2.634252 2.634252\n2.634252 0.000000 2.634252\n2.634252 2.634252 0.000000\nPr\n1\ndirect\n0.500000 0.500000 0.500000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.400025707051169,
"density_atomic": 0.02735256438440348,
"volume": 36.55964340112122,
"volume_molar": 22.01673186969571,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -4.77286121,
"energy_per_atom": -4.77286121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.77286121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030216,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.738000Z",
"spacegroup": 225
},
{
"id": "mp-1093840",
"created_at": "2022-09-04T14:47:57.366261Z",
"structure_string": "Y1 In1 Hg2\n1.0\n-5.921754 6.318364 8.694315\n5.921754 -6.318364 8.694315\n5.921754 6.318364 -8.694315\nY In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.256765 0.256765 Hg\n0.000000 0.743235 0.743235 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Hg"
],
"chemical_system": "Hg-In-Y",
"density": 0.7719427272180944,
"density_atomic": 0.0030740407842153135,
"volume": 1301.2189104774839,
"volume_molar": 195.90308596173116,
"formula_full": "Y1 In1 Hg2",
"formula_reduced": "YInHg2",
"formula_anonymous": "ABC2",
"energy": -4.77854174,
"energy_per_atom": -1.194635435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.77854174,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.5947374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.165000Z",
"spacegroup": 71
},
{
"id": "mp-2667",
"created_at": "2022-09-04T14:43:13.735443Z",
"structure_string": "Cs1 Au1\n1.0\n4.381061 0.000000 0.000000\n0.000000 4.381061 0.000000\n0.000000 0.000000 4.381061\nCs Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Au"
],
"chemical_system": "Au-Cs",
"density": 6.514133851114585,
"density_atomic": 0.023784394255335663,
"volume": 84.08875073836832,
"volume_molar": 25.3197146639504,
"formula_full": "Cs1 Au1",
"formula_reduced": "CsAu",
"formula_anonymous": "AB",
"energy": -4.7838449,
"energy_per_atom": -2.39192245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7838449,
"band_gap": 1.0233,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.585000Z",
"spacegroup": 221
},
{
"id": "mp-1184876",
"created_at": "2022-09-04T14:39:43.131160Z",
"structure_string": "K3 Li1\n1.0\n0.000000 4.846485 4.846485\n4.846485 0.000000 4.846485\n4.846485 4.846485 0.000000\nK Li\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.9061197437969125,
"density_atomic": 0.017569094422613403,
"volume": 227.67251992519033,
"volume_molar": 34.276899054335026,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
"energy": -4.78690029,
"energy_per_atom": -1.1967250725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.78690029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.037000Z",
"spacegroup": 225
},
{
"id": "mp-1093694",
"created_at": "2022-09-04T14:46:35.391886Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n-6.844492 6.943532 9.799033\n6.844492 -6.943532 9.799033\n6.844492 6.943532 -9.799033\nBa Cd Sn\n2 1 1\ndirect\n0.000000 0.268768 0.268768 Ba\n0.000000 0.731232 0.731232 Ba\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 0.4508598716962968,
"density_atomic": 0.002147311837341849,
"volume": 1862.7941831455594,
"volume_molar": 280.45021944529447,
"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy": -4.7899108,
"energy_per_atom": -1.1974777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7899108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.599000Z",
"spacegroup": 71
},
{
"id": "mp-1184864",
"created_at": "2022-09-04T14:39:34.244793Z",
"structure_string": "K3 Ba1\n1.0\n6.562897 0.000000 0.000000\n0.000000 6.562897 0.000000\n0.000000 0.000000 6.562897\nK Ba\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ba"
],
"chemical_system": "Ba-K",
"density": 1.4957468155630989,
"density_atomic": 0.014150546936859042,
"volume": 282.67458620845855,
"volume_molar": 42.5576536855523,
"formula_full": "K3 Ba1",
"formula_reduced": "K3Ba",
"formula_anonymous": "AB3",
"energy": -4.79041836,
"energy_per_atom": -1.19760459,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79041836,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1896768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.482000Z",
"spacegroup": 221
},
{
"id": "mp-1094122",
"created_at": "2022-09-04T14:45:20.060288Z",
"structure_string": "Mg3\n1.0\n7.698262 -1.605623 0.000000\n7.698262 1.605623 0.000000\n7.363377 0.000000 2.760785\nMg\n3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.222208 0.222208 0.222208 Mg\n0.777792 0.777792 0.777792 Mg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7740551923933052,
"density_atomic": 0.04395642908164325,
"volume": 68.24940202553526,
"volume_molar": 13.700250192786749,
"formula_full": "Mg3",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -4.79068775,
"energy_per_atom": -1.5968959166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79068775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.151000Z",
"spacegroup": 166
},
{
"id": "mp-9827",
"created_at": "2022-09-04T14:41:09.209277Z",
"structure_string": "Rb2 Hg4\n1.0\n-2.703651 4.324049 4.879641\n2.703651 -4.324049 4.879641\n2.703651 4.324049 -4.879641\nRb Hg\n2 4\ndirect\n0.302384 0.052384 0.250000 Rb\n0.697616 0.947616 0.750000 Rb\n0.103193 0.664671 0.438522 Hg\n0.896807 0.335329 0.561478 Hg\n0.273852 0.335329 0.938522 Hg\n0.726148 0.664671 0.061478 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 7.082796396387336,
"density_atomic": 0.026294332505893667,
"volume": 228.18605487152593,
"volume_molar": 22.90280903175688,
"formula_full": "Rb2 Hg4",
"formula_reduced": "RbHg2",
"formula_anonymous": "AB2",
"energy": -4.79314856,
"energy_per_atom": -0.7988580933333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79314856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.67e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.943000Z",
"spacegroup": 74
},
{
"id": "mp-1096318",
"created_at": "2022-09-04T14:46:11.939259Z",
"structure_string": "Li1 Sc1 Zn2\n1.0\n-5.468998 5.654104 8.137668\n5.468998 -5.654104 8.137668\n5.468998 5.654104 -8.137668\nLi Sc Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.242259 0.242259 Zn\n0.000000 0.757741 0.757741 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Zn"
],
"chemical_system": "Li-Sc-Zn",
"density": 0.3014335404898126,
"density_atomic": 0.003974005605502261,
"volume": 1006.54110665112,
"volume_molar": 151.53830562448042,
"formula_full": "Li1 Sc1 Zn2",
"formula_reduced": "LiScZn2",
"formula_anonymous": "ABC2",
"energy": -4.79371333,
"energy_per_atom": -1.1984283325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79371333,
"band_gap": 0.1336999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.815000Z",
"spacegroup": 71
},
{
"id": "mp-999501",
"created_at": "2022-09-04T14:42:24.205166Z",
"structure_string": "Na4\n1.0\n2.306607 -3.995160 0.000000\n2.306607 3.995160 0.000000\n0.000000 0.000000 8.660129\nNa\n4\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.9567127508790888,
"density_atomic": 0.025060968574764763,
"volume": 159.6107504012361,
"volume_molar": 24.029960143136755,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -4.79422453,
"energy_per_atom": -1.1985561325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79422453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.965000Z",
"spacegroup": 194
},
{
"id": "mp-1095846",
"created_at": "2022-09-04T14:48:26.481888Z",
"structure_string": "Ba2 Na1 Pb1\n1.0\n-7.024843 7.095905 10.181357\n7.024843 -7.095905 10.181357\n7.024843 7.095905 -10.181357\nBa Na Pb\n2 1 1\ndirect\n0.000000 0.270269 0.270269 Ba\n0.000000 0.729731 0.729731 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Pb"
],
"chemical_system": "Ba-Na-Pb",
"density": 0.41294862640053787,
"density_atomic": 0.0019703796754697175,
"volume": 2030.0656009590857,
"volume_molar": 305.63352002524016,
"formula_full": "Ba2 Na1 Pb1",
"formula_reduced": "Ba2NaPb",
"formula_anonymous": "ABC2",
"energy": -4.79450991,
"energy_per_atom": -1.1986274775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79450991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.141000Z",
"spacegroup": 71
},
{
"id": "mp-1093764",
"created_at": "2022-09-04T14:42:40.914573Z",
"structure_string": "Ba2 Zn1 Sn1\n1.0\n-6.725295 6.829242 9.634198\n6.725295 -6.829242 9.634198\n6.725295 6.829242 -9.634198\nBa Zn Sn\n2 1 1\ndirect\n0.000000 0.264156 0.264156 Ba\n0.000000 0.735844 0.735844 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Sn"
],
"chemical_system": "Ba-Sn-Zn",
"density": 0.4304151480104372,
"density_atomic": 0.002259959158408044,
"volume": 1769.9434899600897,
"volume_molar": 266.4712208446326,
"formula_full": "Ba2 Zn1 Sn1",
"formula_reduced": "Ba2ZnSn",
"formula_anonymous": "ABC2",
"energy": -4.79858491,
"energy_per_atom": -1.1996462275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79858491,
"band_gap": 0.0871999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0002798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.355000Z",
"spacegroup": 71
}
]
}