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=37",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=35",
"results": [
{
"id": "mp-1093668",
"created_at": "2022-09-04T14:47:57.087284Z",
"structure_string": "Ca2 Cd1 Ag1\n1.0\n-6.424899 6.445594 9.093475\n6.424899 -6.445594 9.093475\n6.424899 6.445594 -9.093475\nCa Cd Ag\n2 1 1\ndirect\n0.000000 0.235269 0.235269 Ca\n0.000000 0.764731 0.764731 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.3311927280044247,
"density_atomic": 0.002655466772762036,
"volume": 1506.3265114176036,
"volume_molar": 226.7827570569139,
"formula_full": "Ca2 Cd1 Ag1",
"formula_reduced": "Ca2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.52443568,
"energy_per_atom": -0.88110892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.52443568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.165000Z",
"spacegroup": 71
},
{
"id": "mp-1185337",
"created_at": "2022-09-04T14:47:58.957675Z",
"structure_string": "Li1 Hg3\n1.0\n-2.322143 2.322143 4.299339\n2.322143 -2.322143 4.299339\n2.322143 2.322143 -4.299339\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 10.89985309575773,
"density_atomic": 0.04313406501847922,
"volume": 92.73413016571348,
"volume_molar": 13.961449627852218,
"formula_full": "Li1 Hg3",
"formula_reduced": "LiHg3",
"formula_anonymous": "AB3",
"energy": -3.52583899,
"energy_per_atom": -0.8814597475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.52583899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.162000Z",
"spacegroup": 139
},
{
"id": "mp-976220",
"created_at": "2022-09-04T14:42:57.058472Z",
"structure_string": "Na1 Cd1 Hg2\n1.0\n0.000000 3.674640 3.674640\n3.674640 0.000000 3.674640\n3.674640 3.674640 0.000000\nNa Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Na",
"density": 8.978624539098846,
"density_atomic": 0.04030747572029646,
"volume": 99.2371744575867,
"volume_molar": 14.940505830206595,
"formula_full": "Na1 Cd1 Hg2",
"formula_reduced": "NaCdHg2",
"formula_anonymous": "ABC2",
"energy": -3.53579034,
"energy_per_atom": -0.883947585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.53579034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.821000Z",
"spacegroup": 225
},
{
"id": "mp-1096053",
"created_at": "2022-09-04T14:46:13.045419Z",
"structure_string": "Na1 Sr1 Tl2\n1.0\n-6.439250 6.876289 9.855776\n6.439250 -6.876289 9.855776\n6.439250 6.876289 -9.855776\nNa Sr Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.243402 0.243402 Tl\n0.000000 0.756598 0.756598 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Tl"
],
"chemical_system": "Na-Sr-Tl",
"density": 0.4940729303511832,
"density_atomic": 0.0022914995054037035,
"volume": 1745.581873601715,
"volume_molar": 262.80349377335136,
"formula_full": "Na1 Sr1 Tl2",
"formula_reduced": "NaSrTl2",
"formula_anonymous": "ABC2",
"energy": -3.54170171,
"energy_per_atom": -0.8854254275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.54170171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3367424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.988000Z",
"spacegroup": 71
},
{
"id": "mp-1094578",
"created_at": "2022-09-04T14:44:08.147356Z",
"structure_string": "Li1 Mg1\n1.0\n5.042161 -1.564963 0.000000\n5.042161 1.564963 0.000000\n4.556435 0.000000 2.666720\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2328644482683733,
"density_atomic": 0.04752277570273075,
"volume": 42.085083845072546,
"volume_molar": 12.672114940571445,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -3.55052635,
"energy_per_atom": -1.775263175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.55052635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.794000Z",
"spacegroup": 166
},
{
"id": "mp-1183591",
"created_at": "2022-09-04T14:44:16.026822Z",
"structure_string": "Cd4\n1.0\n1.645495 -2.850081 0.000000\n1.645495 2.850081 0.000000\n0.000000 0.000000 9.667985\nCd\n4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.250000 Cd\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.750000 Cd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.233759292031648,
"density_atomic": 0.04411032501953367,
"volume": 90.68171676877586,
"volume_molar": 13.652451568500513,
"formula_full": "Cd4",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -3.55372799,
"energy_per_atom": -0.8884319975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.55372799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.075000Z",
"spacegroup": 194
},
{
"id": "mp-1094654",
"created_at": "2022-09-04T14:45:38.206281Z",
"structure_string": "Mg1 Ga1\n1.0\n0.000000 3.144080 3.144080\n3.144080 0.000000 3.144080\n3.144080 3.144080 0.000000\nMg Ga\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.511860615623913,
"density_atomic": 0.03217505041480188,
"volume": 62.15996476201063,
"volume_molar": 18.716802871673394,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -3.55492496,
"energy_per_atom": -1.77746248,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.55492496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.247000Z",
"spacegroup": 216
},
{
"id": "mp-1096168",
"created_at": "2022-09-04T14:41:12.378227Z",
"structure_string": "Ca2 Zn1 Ag1\n1.0\n-6.215381 6.282232 8.781065\n6.215381 -6.282232 8.781065\n6.215381 6.282232 -8.781065\nCa Zn Ag\n2 1 1\ndirect\n0.739756 0.000000 0.739756 Ca\n0.260244 0.000000 0.260244 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 0.3068482812232494,
"density_atomic": 0.002916561116900331,
"volume": 1371.4782031556153,
"volume_molar": 206.4808697168748,
"formula_full": "Ca2 Zn1 Ag1",
"formula_reduced": "Ca2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.56283827,
"energy_per_atom": -0.8907095675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.56283827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.346000Z",
"spacegroup": 71
},
{
"id": "mp-1038818",
"created_at": "2022-09-04T14:47:26.134284Z",
"structure_string": "Mg1 Al1\n1.0\n0.000000 3.215910 3.215910\n3.215910 0.000000 3.215910\n3.215910 3.215910 0.000000\nMg Al\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.2802973078784958,
"density_atomic": 0.030066878427852474,
"volume": 66.51837851405614,
"volume_molar": 20.029151926930286,
"formula_full": "Mg1 Al1",
"formula_reduced": "MgAl",
"formula_anonymous": "AB",
"energy": -3.56980224,
"energy_per_atom": -1.78490112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.56980224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.136000Z",
"spacegroup": 216
},
{
"id": "mp-1094982",
"created_at": "2022-09-04T14:41:55.717272Z",
"structure_string": "Li1 Mg1\n1.0\n1.545754 -2.677325 0.000000\n1.545754 2.677325 0.000000\n0.000000 0.000000 5.103529\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2282915693390943,
"density_atomic": 0.04734650660844622,
"volume": 42.24176487908438,
"volume_molar": 12.719292702633524,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -3.57000754,
"energy_per_atom": -1.78500377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.57000754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.174000Z",
"spacegroup": 187
},
{
"id": "mp-1222270",
"created_at": "2022-09-04T14:48:08.551986Z",
"structure_string": "Li1 Mg1\n1.0\n1.730789 -2.464336 0.000000\n1.730789 2.464336 0.000000\n0.000000 0.000000 4.901858\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.240819917832041,
"density_atomic": 0.047829432283034524,
"volume": 41.815256935621534,
"volume_molar": 12.590868159093956,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -3.57282658,
"energy_per_atom": -1.78641329,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.57282658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.850000Z",
"spacegroup": 65
},
{
"id": "mp-1096629",
"created_at": "2022-09-04T14:40:36.193570Z",
"structure_string": "Li2 Tl1 Hg1\n1.0\n-5.674047 5.884363 8.338265\n5.674047 -5.884363 8.338265\n5.674047 5.884363 -8.338265\nLi Tl Hg\n2 1 1\ndirect\n0.000000 0.249256 0.249256 Li\n0.000000 0.750744 0.750744 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Hg"
],
"chemical_system": "Hg-Li-Tl",
"density": 0.624575641904044,
"density_atomic": 0.0035919635560188222,
"volume": 1113.597044518299,
"volume_molar": 167.65595380022958,
"formula_full": "Li2 Tl1 Hg1",
"formula_reduced": "Li2TlHg",
"formula_anonymous": "ABC2",
"energy": -3.57433,
"energy_per_atom": -0.8935825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.57433,
"band_gap": 0.0882,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0008642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.868000Z",
"spacegroup": 71
}
]
}