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=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12160",
"results": [
{
"id": "mp-1093631",
"created_at": "2022-09-04T14:41:17.762349Z",
"structure_string": "Ba1 Hg2 Bi1\n1.0\n-5.992811 6.744829 9.402999\n5.992811 -6.744829 9.402999\n5.992811 6.744829 -9.402999\nBa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.267672 0.267672 Hg\n0.000000 0.732328 0.732328 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Bi"
],
"chemical_system": "Ba-Bi-Hg",
"density": 0.8164414921943298,
"density_atomic": 0.002631068076865408,
"volume": 1520.2951360975444,
"volume_molar": 228.88578265806922,
"formula_full": "Ba1 Hg2 Bi1",
"formula_reduced": "BaHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.4473748,
"energy_per_atom": -0.8618437,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.4473748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1978964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.913000Z",
"spacegroup": 71
},
{
"id": "mp-974751",
"created_at": "2022-09-04T14:42:42.051643Z",
"structure_string": "Rb3 Zn1\n1.0\n-3.139688 3.139688 6.317535\n3.139688 -3.139688 6.317535\n3.139688 3.139688 -6.317535\nRb Zn\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 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Zn"
],
"chemical_system": "Rb-Zn",
"density": 2.145217037470466,
"density_atomic": 0.016057552741736245,
"volume": 249.1039615023861,
"volume_molar": 37.50347800102475,
"formula_full": "Rb3 Zn1",
"formula_reduced": "Rb3Zn",
"formula_anonymous": "AB3",
"energy": -3.44614477,
"energy_per_atom": -0.8615361925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.44614477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0758442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.436000Z",
"spacegroup": 139
},
{
"id": "mp-1096330",
"created_at": "2022-09-04T14:47:25.764481Z",
"structure_string": "Li1 Ag1 Hg2\n1.0\n-5.464573 5.757897 8.131084\n5.464573 -5.757897 8.131084\n5.464573 5.757897 -8.131084\nLi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.244839 0.244839 Hg\n0.000000 0.755161 0.755161 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Li",
"density": 0.8372615481917002,
"density_atomic": 0.003908691808191634,
"volume": 1023.3602945151641,
"volume_molar": 154.07049354413437,
"formula_full": "Li1 Ag1 Hg2",
"formula_reduced": "LiAgHg2",
"formula_anonymous": "ABC2",
"energy": -3.43945336,
"energy_per_atom": -0.85986334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.43945336,
"band_gap": 1.0433999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.904000Z",
"spacegroup": 71
},
{
"id": "mp-1095737",
"created_at": "2022-09-04T14:44:10.097372Z",
"structure_string": "Li1 La1 Zn2\n1.0\n-5.817550 5.894106 8.302496\n5.817550 -5.894106 8.302496\n5.817550 5.894106 -8.302496\nLi La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.238160 0.238160 Zn\n0.000000 0.761840 0.761840 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Zn"
],
"chemical_system": "La-Li-Zn",
"density": 0.4034370262741985,
"density_atomic": 0.0035126368931415633,
"volume": 1138.7456550974612,
"volume_molar": 171.44216562088306,
"formula_full": "Li1 La1 Zn2",
"formula_reduced": "LiLaZn2",
"formula_anonymous": "ABC2",
"energy": -3.42706971,
"energy_per_atom": -0.8567674275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.42706971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.960000Z",
"spacegroup": 71
},
{
"id": "mp-974951",
"created_at": "2022-09-04T14:40:08.937186Z",
"structure_string": "Rb3 Hg1\n1.0\n6.330224 0.000000 0.000000\n0.000000 6.330224 0.000000\n0.000000 0.000000 6.330224\nRb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 2.9915880583999157,
"density_atomic": 0.015768949301977017,
"volume": 253.6630642536535,
"volume_molar": 38.18986696371064,
"formula_full": "Rb3 Hg1",
"formula_reduced": "Rb3Hg",
"formula_anonymous": "AB3",
"energy": -3.42384029,
"energy_per_atom": -0.8559600725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.42384029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0091977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.971000Z",
"spacegroup": 221
},
{
"id": "mp-1182809",
"created_at": "2022-09-04T14:44:13.801366Z",
"structure_string": "Cs4\n1.0\n5.348822 0.000000 0.000000\n0.000000 9.093349 0.000000\n0.000000 0.000000 9.428690\nCs\n4\ndirect\n0.756036 0.408856 0.750000 Cs\n0.243964 0.591144 0.250000 Cs\n0.756036 0.091144 0.250000 Cs\n0.243964 0.908856 0.750000 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9249458771194448,
"density_atomic": 0.008722211817257295,
"volume": 458.59927318960735,
"volume_molar": 69.04373438953775,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.4207228,
"energy_per_atom": -0.8551807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.4207228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.574000Z",
"spacegroup": 57
},
{
"id": "mp-11474",
"created_at": "2022-09-04T14:42:57.410000Z",
"structure_string": "Tl1 Hg3\n1.0\n4.882347 0.000000 0.000000\n0.000000 4.882347 0.000000\n0.000000 0.000000 4.882347\nTl Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Hg"
],
"chemical_system": "Hg-Tl",
"density": 11.502197118273612,
"density_atomic": 0.03436956723712353,
"volume": 116.38202984643601,
"volume_molar": 17.52172414174397,
"formula_full": "Tl1 Hg3",
"formula_reduced": "TlHg3",
"formula_anonymous": "AB3",
"energy": -3.42042044,
"energy_per_atom": -0.85510511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.42042044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.887000Z",
"spacegroup": 221
},
{
"id": "mp-1093929",
"created_at": "2022-09-04T14:45:35.144432Z",
"structure_string": "Ba2 Na1 Tl1\n1.0\n-7.193230 7.265794 10.268023\n7.193230 -7.265794 10.268023\n7.193230 7.265794 -10.268023\nBa Na Tl\n2 1 1\ndirect\n0.000000 0.268684 0.268684 Ba\n0.000000 0.731316 0.731316 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Tl"
],
"chemical_system": "Ba-Na-Tl",
"density": 0.3883491695601142,
"density_atomic": 0.0018634002085046435,
"volume": 2146.613476666911,
"volume_molar": 323.1802128450278,
"formula_full": "Ba2 Na1 Tl1",
"formula_reduced": "Ba2NaTl",
"formula_anonymous": "ABC2",
"energy": -3.41640613,
"energy_per_atom": -0.8541015325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.41640613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0004242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.008000Z",
"spacegroup": 71
},
{
"id": "mp-11286",
"created_at": "2022-09-04T14:42:52.403090Z",
"structure_string": "Ca1 Hg1\n1.0\n3.811914 0.000000 0.000000\n0.000000 3.811914 0.000000\n0.000000 0.000000 3.811914\nCa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 7.215030383240868,
"density_atomic": 0.036107773838290606,
"volume": 55.389734325828016,
"volume_molar": 16.678238838457002,
"formula_full": "Ca1 Hg1",
"formula_reduced": "CaHg",
"formula_anonymous": "AB",
"energy": -3.413521,
"energy_per_atom": -1.7067605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.413521,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00029,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.075000Z",
"spacegroup": 221
},
{
"id": "mp-975530",
"created_at": "2022-09-04T14:47:38.605938Z",
"structure_string": "Rb1 Al1\n1.0\n4.315756 0.000000 0.000000\n0.000000 4.315756 0.000000\n0.000000 0.000000 4.315756\nRb Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Al"
],
"chemical_system": "Al-Rb",
"density": 2.322925887102806,
"density_atomic": 0.02488051392063103,
"volume": 80.38419167626563,
"volume_molar": 24.2042458576646,
"formula_full": "Rb1 Al1",
"formula_reduced": "RbAl",
"formula_anonymous": "AB",
"energy": -3.40903703,
"energy_per_atom": -1.704518515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40903703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.637000Z",
"spacegroup": 221
},
{
"id": "mp-2564",
"created_at": "2022-09-04T14:46:24.792274Z",
"structure_string": "Sr1 Mg1\n1.0\n4.195784 0.000000 0.000000\n0.000000 4.195784 0.000000\n0.000000 0.000000 4.195784\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5161517672383327,
"density_atomic": 0.027076381721810882,
"volume": 73.86511316572764,
"volume_molar": 22.241305436867048,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -3.40542954,
"energy_per_atom": -1.70271477,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40542954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.667000Z",
"spacegroup": 221
},
{
"id": "mp-974990",
"created_at": "2022-09-04T14:41:37.368447Z",
"structure_string": "Rb3 Hg1\n1.0\n0.000000 5.026909 5.026909\n5.026909 0.000000 5.026909\n5.026909 5.026909 0.000000\nRb Hg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 2.986936289924527,
"density_atomic": 0.015744429381513044,
"volume": 254.058111797736,
"volume_molar": 38.24934276164457,
"formula_full": "Rb3 Hg1",
"formula_reduced": "Rb3Hg",
"formula_anonymous": "AB3",
"energy": -3.40456878,
"energy_per_atom": -0.851142195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40456878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.814000Z",
"spacegroup": 225
}
]
}