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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=9",
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"results": [
{
"id": "mp-1096012",
"created_at": "2022-09-04T14:40:37.475012Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n-6.464141 6.846135 9.139241\n6.464141 -6.846135 9.139241\n6.464141 6.846135 -9.139241\nCa Cd Hg\n2 1 1\ndirect\n0.251680 0.000000 0.251680 Ca\n0.748320 0.000000 0.748320 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Ca-Cd-Hg",
"density": 0.4035419693735034,
"density_atomic": 0.00247248457280391,
"volume": 1617.8058476068945,
"volume_molar": 243.56636341599568,
"formula_full": "Ca2 Cd1 Hg1",
"formula_reduced": "Ca2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.42465064,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.285000Z",
"spacegroup": 71
},
{
"id": "mp-1096164",
"created_at": "2022-09-04T14:47:13.417829Z",
"structure_string": "K1 Rb1 Hg2\n1.0\n-6.580816 7.442841 9.302626\n6.580816 -7.442841 9.302626\n6.580816 7.442841 -9.302626\nK Rb Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n0.246586 0.000000 0.246586 Hg\n0.753414 0.000000 0.753414 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Hg"
],
"chemical_system": "Hg-K-Rb",
"density": 0.47900617871118706,
"density_atomic": 0.0021947039714458024,
"volume": 1822.5692631179436,
"volume_molar": 274.39421618364327,
"formula_full": "K1 Rb1 Hg2",
"formula_reduced": "KRbHg2",
"formula_anonymous": "ABC2",
"energy": -1.45662428,
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"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -1.45662428,
"band_gap": 0.1083999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.367000Z",
"spacegroup": 71
},
{
"id": "mp-1093940",
"created_at": "2022-09-04T14:40:28.001532Z",
"structure_string": "Ba1 Ca1 Cd2\n1.0\n-6.957490 7.029899 9.855929\n6.957490 -7.029899 9.855929\n6.957490 7.029899 -9.855929\nBa Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.240494 0.000000 0.240494 Cd\n0.759506 0.000000 0.759506 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Cd"
],
"chemical_system": "Ba-Ca-Cd",
"density": 0.3463866003767523,
"density_atomic": 0.0020744394240740124,
"volume": 1928.2317688237722,
"volume_molar": 290.30207824401344,
"formula_full": "Ba1 Ca1 Cd2",
"formula_reduced": "BaCaCd2",
"formula_anonymous": "ABC2",
"energy": -1.48368147,
"energy_per_atom": -0.3709203675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.48368147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.979000Z",
"spacegroup": 71
},
{
"id": "mp-1096360",
"created_at": "2022-09-04T14:39:06.681315Z",
"structure_string": "Na1 Sr2 Mg1\n1.0\n-7.111728 7.237947 10.313953\n7.111728 -7.237947 10.313953\n7.111728 7.237947 -10.313953\nNa Sr Mg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.261374 0.261374 Sr\n0.000000 0.738626 0.738626 Sr\n0.000000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 0.17400883410405765,
"density_atomic": 0.0018835810623404213,
"volume": 2123.6144703163704,
"volume_molar": 319.71763150545064,
"formula_full": "Na1 Sr2 Mg1",
"formula_reduced": "NaSr2Mg",
"formula_anonymous": "ABC2",
"energy": -1.48566586,
"energy_per_atom": -0.371416465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.48566586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.652000Z",
"spacegroup": 71
},
{
"id": "mp-1095974",
"created_at": "2022-09-04T14:47:12.384782Z",
"structure_string": "Ca2 Zn1 Cd1\n1.0\n-6.479656 6.791448 9.161412\n6.479656 -6.791448 9.161412\n6.479656 6.791448 -9.161412\nCa Zn Cd\n2 1 1\ndirect\n0.246514 0.000000 0.246514 Ca\n0.753486 0.000000 0.753486 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Cd"
],
"chemical_system": "Ca-Cd-Zn",
"density": 0.26563889591258016,
"density_atomic": 0.002480408755960824,
"volume": 1612.6374293702006,
"volume_molar": 242.78823986279767,
"formula_full": "Ca2 Zn1 Cd1",
"formula_reduced": "Ca2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.50271653,
"energy_per_atom": -0.3756791325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.50271653,
"band_gap": 0.3149999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.723000Z",
"spacegroup": 71
},
{
"id": "mp-1097194",
"created_at": "2022-09-04T14:40:41.721426Z",
"structure_string": "Na1 Sr2 Cd1\n1.0\n-6.965216 7.092508 10.037121\n6.965216 -7.092508 10.037121\n6.965216 7.092508 -10.037121\nNa Sr Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.265388 0.265388 Sr\n0.000000 0.734612 0.734612 Sr\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Cd"
],
"chemical_system": "Cd-Na-Sr",
"density": 0.2600782152147767,
"density_atomic": 0.00201677020669811,
"volume": 1983.3692439104732,
"volume_molar": 298.603219147091,
"formula_full": "Na1 Sr2 Cd1",
"formula_reduced": "NaSr2Cd",
"formula_anonymous": "ABC2",
"energy": -1.50535984,
"energy_per_atom": -0.37633996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.50535984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7926383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.255000Z",
"spacegroup": 71
},
{
"id": "mp-1096243",
"created_at": "2022-09-04T14:45:33.413098Z",
"structure_string": "Na1 Mg1 Hg2\n1.0\n-6.031872 6.173917 8.727031\n6.031872 -6.173917 8.727031\n6.031872 6.173917 -8.727031\nNa Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250697 0.250697 Hg\n0.000000 0.749303 0.749303 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.5728589451302678,
"density_atomic": 0.0030769509820410103,
"volume": 1299.9882101945968,
"volume_molar": 195.7177997033082,
"formula_full": "Na1 Mg1 Hg2",
"formula_reduced": "NaMgHg2",
"formula_anonymous": "ABC2",
"energy": -1.55393485,
"energy_per_atom": -0.3884837125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55393485,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0007895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.394000Z",
"spacegroup": 71
},
{
"id": "mp-1096507",
"created_at": "2022-09-04T14:42:16.297035Z",
"structure_string": "Na1 Mg2 Hg1\n1.0\n-6.173545 6.218051 8.787708\n6.173545 -6.218051 8.787708\n6.173545 6.218051 -8.787708\nNa Mg Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.257820 0.257820 Mg\n0.000000 0.742180 0.742180 Mg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.334962653317965,
"density_atomic": 0.0029643909889146363,
"volume": 1349.349669108438,
"volume_molar": 203.14934104576096,
"formula_full": "Na1 Mg2 Hg1",
"formula_reduced": "NaMg2Hg",
"formula_anonymous": "ABC2",
"energy": -1.55699565,
"energy_per_atom": -0.3892489125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55699565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.295000Z",
"spacegroup": 71
},
{
"id": "mp-1097142",
"created_at": "2022-09-04T14:39:36.485796Z",
"structure_string": "Tl1 Cd1 Hg2\n1.0\n-6.169624 6.379022 8.707005\n6.169624 -6.379022 8.707005\n6.169624 6.379022 -8.707005\nTl Cd Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.756312 0.000000 0.756312 Hg\n0.243688 0.000000 0.243688 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tl",
"density": 0.8697940128454761,
"density_atomic": 0.0029182225488410115,
"volume": 1370.6973793306554,
"volume_molar": 206.36331394230803,
"formula_full": "Tl1 Cd1 Hg2",
"formula_reduced": "TlCdHg2",
"formula_anonymous": "ABC2",
"energy": -1.5850447,
"energy_per_atom": -0.396261175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.5850447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0001542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.408000Z",
"spacegroup": 71
},
{
"id": "mp-1093775",
"created_at": "2022-09-04T14:40:18.098598Z",
"structure_string": "Na1 Ca1 Hg2\n1.0\n-5.993736 6.482277 8.469417\n5.993736 -6.482277 8.469417\n5.993736 6.482277 -8.469417\nNa Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Ca\n0.761102 0.000000 0.761102 Hg\n0.238898 0.000000 0.238898 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Na",
"density": 0.5856797655983741,
"density_atomic": 0.003038934141056762,
"volume": 1316.25096640266,
"volume_molar": 198.16621487907125,
"formula_full": "Na1 Ca1 Hg2",
"formula_reduced": "NaCaHg2",
"formula_anonymous": "ABC2",
"energy": -1.62282907,
"energy_per_atom": -0.4057072675,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.62282907,
"band_gap": 0.1912,
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"is_magnetic": false,
"total_magnetization": 0.0303226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.177000Z",
"spacegroup": 71
},
{
"id": "mp-1097590",
"created_at": "2022-09-04T14:41:03.030645Z",
"structure_string": "Cd1 In1 Hg2\n1.0\n-6.047472 6.318742 8.554543\n6.047472 -6.318742 8.554543\n6.047472 6.318742 -8.554543\nCd In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.248016 0.000000 0.248016 Hg\n0.751984 0.000000 0.751984 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Hg"
],
"chemical_system": "Cd-Hg-In",
"density": 0.7980501792520864,
"density_atomic": 0.003059135381358406,
"volume": 1307.55899996286,
"volume_molar": 196.85760874452944,
"formula_full": "Cd1 In1 Hg2",
"formula_reduced": "CdInHg2",
"formula_anonymous": "ABC2",
"energy": -1.64170846,
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"energy_above_hull": null,
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"energy_uncorrected": -1.64170846,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.0001024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.929000Z",
"spacegroup": 71
},
{
"id": "mp-971803",
"created_at": "2022-09-04T14:48:28.048226Z",
"structure_string": "Zn1 Hg3\n1.0\n4.563231 0.000000 0.000000\n0.000000 4.563231 0.000000\n0.000000 0.000000 4.563231\nZn Hg\n1 3\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 11.659343649272289,
"density_atomic": 0.04209617427970265,
"volume": 95.02051120898805,
"volume_molar": 14.305672339692096,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.65840587,
"energy_per_atom": -0.4146014675,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.65840587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.608000Z",
"spacegroup": 221
}
]
}