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_uncorrected&page=33",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=31",
"results": [
{
"id": "mp-972892",
"created_at": "2022-09-04T14:48:18.444757Z",
"structure_string": "Mg1 Hg5\n1.0\n1.790345 -8.479789 0.000000\n1.790345 8.479789 0.000000\n0.000000 0.000000 5.076391\nMg Hg\n1 5\ndirect\n0.779523 0.220477 0.500000 Mg\n0.325575 0.674425 0.000000 Hg\n0.666238 0.333762 0.000000 Hg\n0.001216 0.998784 0.000000 Hg\n0.439790 0.560210 0.500000 Hg\n0.120989 0.879011 0.500000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.066760885315237,
"density_atomic": 0.038926415640709575,
"volume": 154.13697617011388,
"volume_molar": 15.470576113619858,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.27679059,
"energy_per_atom": -0.546131765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27679059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.836000Z",
"spacegroup": 38
},
{
"id": "mp-1096651",
"created_at": "2022-09-04T14:45:42.729894Z",
"structure_string": "Mg2 Cd1 Ag1\n1.0\n-5.643985 5.981177 8.451988\n5.643985 -5.981177 8.451988\n5.643985 5.981177 -8.451988\nMg Cd Ag\n2 1 1\ndirect\n0.000000 0.236818 0.236818 Mg\n0.000000 0.763182 0.763182 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Mg",
"density": 0.39122904357131755,
"density_atomic": 0.0035048434382650446,
"volume": 1141.2777975555068,
"volume_molar": 171.82338857855115,
"formula_full": "Mg2 Cd1 Ag1",
"formula_reduced": "Mg2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.2828452,
"energy_per_atom": -0.8207113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.2828452,
"band_gap": 0.0070999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.483000Z",
"spacegroup": 71
},
{
"id": "mp-1096562",
"created_at": "2022-09-04T14:41:59.349222Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n-6.061325 6.065944 8.586862\n6.061325 -6.065944 8.586862\n6.061325 6.065944 -8.586862\nCa Zn Ga\n2 1 1\ndirect\n0.000000 0.263078 0.263078 Ca\n0.000000 0.736922 0.736922 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 0.2830795381878252,
"density_atomic": 0.0031673754706848544,
"volume": 1262.8752217794736,
"volume_molar": 190.1303086968052,
"formula_full": "Ca2 Zn1 Ga1",
"formula_reduced": "Ca2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.2831717,
"energy_per_atom": -0.820792925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.2831717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.806000Z",
"spacegroup": 71
},
{
"id": "mp-1060982",
"created_at": "2022-09-04T14:41:29.351785Z",
"structure_string": "Cs1 B1\n1.0\n0.000000 3.459952 3.459952\n3.459952 0.000000 3.459952\n3.459952 3.459952 0.000000\nCs B\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"B"
],
"chemical_system": "B-Cs",
"density": 2.8808149818867275,
"density_atomic": 0.02414291906191159,
"volume": 82.84002422703081,
"volume_molar": 24.943714322849488,
"formula_full": "Cs1 B1",
"formula_reduced": "CsB",
"formula_anonymous": "AB",
"energy": -3.28348712,
"energy_per_atom": -1.64174356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.28348712,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9844447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.215000Z",
"spacegroup": 225
},
{
"id": "mp-2197",
"created_at": "2022-09-04T14:40:56.348301Z",
"structure_string": "Ba1 Hg1\n1.0\n4.221566 0.000000 0.000000\n0.000000 4.221566 0.000000\n0.000000 0.000000 4.221566\nBa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 7.458274923604161,
"density_atomic": 0.02658332160397026,
"volume": 75.23514291386735,
"volume_molar": 22.653831036301288,
"formula_full": "Ba1 Hg1",
"formula_reduced": "BaHg",
"formula_anonymous": "AB",
"energy": -3.28871749,
"energy_per_atom": -1.644358745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.28871749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001513,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.628000Z",
"spacegroup": 221
},
{
"id": "mp-1183210",
"created_at": "2022-09-04T14:40:20.030070Z",
"structure_string": "Ag1 Hg3\n1.0\n4.504894 0.000000 0.000000\n0.000000 4.504894 0.000000\n0.000000 0.000000 4.504894\nAg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.889389675443114,
"density_atomic": 0.04375284135652988,
"volume": 91.42263395890336,
"volume_molar": 13.763999258761803,
"formula_full": "Ag1 Hg3",
"formula_reduced": "AgHg3",
"formula_anonymous": "AB3",
"energy": -3.29175115,
"energy_per_atom": -0.8229377875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.29175115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.394000Z",
"spacegroup": 221
},
{
"id": "mp-981382",
"created_at": "2022-09-04T14:47:04.829634Z",
"structure_string": "Mg1 Hg5\n1.0\n5.810830 -2.804494 0.000000\n5.810830 2.804494 0.000000\n4.457290 0.000000 4.665136\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.157750 0.842250 0.500000 Hg\n0.500000 0.157750 0.842250 Hg\n0.842250 0.500000 0.157750 Hg\n0.661910 0.661910 0.661910 Hg\n0.338090 0.338090 0.338090 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.21864411730014,
"density_atomic": 0.0394606523408938,
"volume": 152.05019795838726,
"volume_molar": 15.261128244854543,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.2955269000000005,
"energy_per_atom": -0.5492544833333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.2955269000000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.768000Z",
"spacegroup": 155
},
{
"id": "mp-1095790",
"created_at": "2022-09-04T14:43:05.120276Z",
"structure_string": "Mg2 Zn1 Ag1\n1.0\n-5.499054 5.774265 8.148287\n5.499054 -5.774265 8.148287\n5.499054 5.774265 -8.148287\nMg Zn Ag\n2 1 1\ndirect\n0.000000 0.256157 0.256157 Mg\n0.000000 0.743843 0.743843 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ag"
],
"chemical_system": "Ag-Mg-Zn",
"density": 0.356016677593046,
"density_atomic": 0.0038649954501454352,
"volume": 1034.9300669550555,
"volume_molar": 155.8123634989892,
"formula_full": "Mg2 Zn1 Ag1",
"formula_reduced": "Mg2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.30510364,
"energy_per_atom": -0.82627591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.30510364,
"band_gap": 0.0056,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.078000Z",
"spacegroup": 71
},
{
"id": "mp-1098699",
"created_at": "2022-09-04T14:41:12.766870Z",
"structure_string": "La2 Mg1 Hg1\n1.0\n-6.203273 6.381342 8.585471\n6.203273 -6.381342 8.585471\n6.203273 6.381342 -8.585471\nLa Mg Hg\n2 1 1\ndirect\n0.742616 0.000000 0.742616 La\n0.257384 0.000000 0.257384 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Hg"
],
"chemical_system": "Hg-La-Mg",
"density": 0.6140533178237924,
"density_atomic": 0.002942408450839323,
"volume": 1359.4305708505556,
"volume_molar": 204.66705627772996,
"formula_full": "La2 Mg1 Hg1",
"formula_reduced": "La2MgHg",
"formula_anonymous": "ABC2",
"energy": -3.30995135,
"energy_per_atom": -0.8274878375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.30995135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9284836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.215000Z",
"spacegroup": 71
},
{
"id": "mp-7755",
"created_at": "2022-09-04T14:48:18.313900Z",
"structure_string": "Se1\n1.0\n2.829635 0.000000 0.000000\n0.000000 2.829635 0.000000\n0.000000 0.000000 2.829635\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 5.787153223762264,
"density_atomic": 0.044137602995476075,
"volume": 22.656418385531627,
"volume_molar": 13.64401406351234,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -3.31467609,
"energy_per_atom": -3.31467609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.31467609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:56.168000Z",
"spacegroup": 221
},
{
"id": "mp-1061023",
"created_at": "2022-09-04T14:41:17.673174Z",
"structure_string": "Rb1 B1\n1.0\n0.000000 3.336053 3.336053\n3.336053 0.000000 3.336053\n3.336053 3.336053 0.000000\nRb B\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"B"
],
"chemical_system": "B-Rb",
"density": 2.153034284287094,
"density_atomic": 0.02693401979576702,
"volume": 74.25553315715325,
"volume_molar": 22.358863644061202,
"formula_full": "Rb1 B1",
"formula_reduced": "RbB",
"formula_anonymous": "AB",
"energy": -3.315297,
"energy_per_atom": -1.6576485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.315297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0498556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.226000Z",
"spacegroup": 225
},
{
"id": "mp-1096382",
"created_at": "2022-09-04T14:44:17.422243Z",
"structure_string": "Ba1 Sn1 Hg2\n1.0\n-6.326122 6.832293 9.645272\n6.326122 -6.832293 9.645272\n6.326122 6.832293 -9.645272\nBa Sn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.228515 0.228515 Hg\n0.000000 0.771485 0.771485 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Hg"
],
"chemical_system": "Ba-Hg-Sn",
"density": 0.654454366548674,
"density_atomic": 0.002398730597482871,
"volume": 1667.5486626957754,
"volume_molar": 251.055319272593,
"formula_full": "Ba1 Sn1 Hg2",
"formula_reduced": "BaSnHg2",
"formula_anonymous": "ABC2",
"energy": -3.31833699,
"energy_per_atom": -0.8295842475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.31833699,
"band_gap": 0.1998999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9992641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.428000Z",
"spacegroup": 71
}
]
}