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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12118",
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"results": [
{
"id": "mp-974816",
"created_at": "2022-09-04T14:42:52.992086Z",
"structure_string": "Rb3 Sm1\n1.0\n0.000000 5.129492 5.129492\n5.129492 0.000000 5.129492\n5.129492 5.129492 0.000000\nRb Sm\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 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sm"
],
"chemical_system": "Rb-Sm",
"density": 2.502291496911429,
"density_atomic": 0.014818591468317266,
"volume": 269.9311880317477,
"volume_molar": 40.6390902460303,
"formula_full": "Rb3 Sm1",
"formula_reduced": "Rb3Sm",
"formula_anonymous": "AB3",
"energy": -5.13823854,
"energy_per_atom": -1.284559635,
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"updated_at": "2021-11-28T01:35:52.559000Z",
"spacegroup": 225
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{
"id": "mp-1096529",
"created_at": "2022-09-04T14:48:26.268420Z",
"structure_string": "La1 Mg2 Sc1\n1.0\n-6.113243 6.983582 9.218310\n6.113243 -6.983582 9.218310\n6.113243 6.983582 -9.218310\nLa Mg Sc\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.245280 0.245280 Mg\n0.000000 0.754720 0.754720 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Sc"
],
"chemical_system": "La-Mg-Sc",
"density": 0.24522085288981424,
"density_atomic": 0.0025409656555490322,
"volume": 1574.2046694982623,
"volume_molar": 237.00205261919538,
"formula_full": "La1 Mg2 Sc1",
"formula_reduced": "LaMg2Sc",
"formula_anonymous": "ABC2",
"energy": -5.13609459,
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"energy_uncorrected": -5.13609459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4467419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.407000Z",
"spacegroup": 71
},
{
"id": "mp-1185886",
"created_at": "2022-09-04T14:47:03.616058Z",
"structure_string": "Mg2 Hg4\n1.0\n2.630677 4.624049 0.000000\n-2.630677 4.624049 0.000000\n0.000000 4.093366 5.678974\nMg Hg\n2 4\ndirect\n0.895482 0.104518 0.750000 Mg\n0.104518 0.895482 0.250000 Mg\n0.227551 0.437354 0.747264 Hg\n0.772449 0.562646 0.252736 Hg\n0.437354 0.227551 0.247264 Hg\n0.562646 0.772449 0.752736 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.227594851991588,
"density_atomic": 0.04342715902292414,
"volume": 138.1623881228967,
"volume_molar": 13.867222483563934,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.13578195,
"energy_per_atom": -0.8559636583333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.13578195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.183000Z",
"spacegroup": 15
},
{
"id": "mp-1038975",
"created_at": "2022-09-04T14:47:16.991901Z",
"structure_string": "Mg2 Cd2\n1.0\n1.624655 -2.813984 0.000000\n1.624655 2.813984 0.000000\n0.000000 0.000000 9.783840\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.628974 Mg\n0.666667 0.333333 0.371026 Mg\n0.666667 0.333333 0.874065 Cd\n0.333333 0.666667 0.125935 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.075470686227626,
"density_atomic": 0.044713418921383356,
"volume": 89.45860317755918,
"volume_molar": 13.468307513206117,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -5.1354222,
"energy_per_atom": -1.28385555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.1354222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.966000Z",
"spacegroup": 164
},
{
"id": "mp-1095866",
"created_at": "2022-09-04T14:41:48.995358Z",
"structure_string": "Sr2 In1 Pb1\n1.0\n-6.573448 7.141582 9.877578\n6.573448 -7.141582 9.877578\n6.573448 7.141582 -9.877578\nSr In Pb\n2 1 1\ndirect\n0.000000 0.252360 0.252360 Sr\n0.000000 0.747640 0.747640 Sr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"In",
"Pb"
],
"chemical_system": "In-Pb-Sr",
"density": 0.44517704078360576,
"density_atomic": 0.002156561626878283,
"volume": 1854.8044025944087,
"volume_molar": 279.24732986728094,
"formula_full": "Sr2 In1 Pb1",
"formula_reduced": "Sr2InPb",
"formula_anonymous": "ABC2",
"energy": -5.13355405,
"energy_per_atom": -1.2833885125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.13355405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9646715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.284000Z",
"spacegroup": 71
},
{
"id": "mp-975055",
"created_at": "2022-09-04T14:41:11.971809Z",
"structure_string": "Rb3 Ac1\n1.0\n-3.171003 3.171003 7.130632\n3.171003 -3.171003 7.130632\n3.171003 3.171003 -7.130632\nRb Ac\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 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ac"
],
"chemical_system": "Ac-Rb",
"density": 2.7988361663478685,
"density_atomic": 0.013946931580332585,
"volume": 286.8014356391224,
"volume_molar": 43.178965389721895,
"formula_full": "Rb3 Ac1",
"formula_reduced": "Rb3Ac",
"formula_anonymous": "AB3",
"energy": -5.12963631,
"energy_per_atom": -1.2824090775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.12963631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1918247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.786000Z",
"spacegroup": 139
},
{
"id": "mp-1096341",
"created_at": "2022-09-04T14:40:40.627360Z",
"structure_string": "Cd1 In2 Ga1\n1.0\n-5.819324 5.899212 8.355359\n5.819324 -5.899212 8.355359\n5.819324 5.899212 -8.355359\nCd In Ga\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.234774 0.234774 In\n0.000000 0.765226 0.765226 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"In",
"Ga"
],
"chemical_system": "Cd-Ga-In",
"density": 0.5959531947009086,
"density_atomic": 0.003486328801127628,
"volume": 1147.3387130629299,
"volume_molar": 172.73588073655534,
"formula_full": "Cd1 In2 Ga1",
"formula_reduced": "CdIn2Ga",
"formula_anonymous": "ABC2",
"energy": -5.12743557,
"energy_per_atom": -1.2818588925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.12743557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7386151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.789000Z",
"spacegroup": 71
},
{
"id": "mp-1095901",
"created_at": "2022-09-04T14:48:04.025214Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-6.171157 6.543149 9.253444\n6.171157 -6.543149 9.253444\n6.171157 6.543149 -9.253444\nSr Ca Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.242091 0.242091 Ag\n0.000000 0.757909 0.757909 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Sr",
"density": 0.38157164428836043,
"density_atomic": 0.0026763517605962062,
"volume": 1494.5718492209435,
"volume_molar": 225.01305129855047,
"formula_full": "Sr1 Ca1 Ag2",
"formula_reduced": "SrCaAg2",
"formula_anonymous": "ABC2",
"energy": -5.12442851,
"energy_per_atom": -1.2811071275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.12442851,
"band_gap": 0.0045999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.75e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.005000Z",
"spacegroup": 71
},
{
"id": "mp-30717",
"created_at": "2022-09-04T14:41:06.994280Z",
"structure_string": "K2 Hg4\n1.0\n-2.649394 4.117988 4.720714\n2.649394 -4.117988 4.720714\n2.649394 4.117988 -4.720714\nK Hg\n2 4\ndirect\n0.700862 0.950862 0.750000 K\n0.299138 0.049138 0.250000 K\n0.282874 0.336990 0.945883 Hg\n0.717126 0.663010 0.054117 Hg\n0.891107 0.336990 0.554117 Hg\n0.108893 0.663010 0.445883 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 7.097527233874118,
"density_atomic": 0.029124061802565018,
"volume": 206.0152200154845,
"volume_molar": 20.67754422726028,
"formula_full": "K2 Hg4",
"formula_reduced": "KHg2",
"formula_anonymous": "AB2",
"energy": -5.12057237,
"energy_per_atom": -0.8534287283333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.12057237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.746000Z",
"spacegroup": 74
},
{
"id": "mp-34",
"created_at": "2022-09-04T14:44:07.263097Z",
"structure_string": "Si1\n1.0\n1.324762 -2.294556 0.000000\n1.324762 2.294556 0.000000\n0.000000 0.000000 2.476905\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.097101142265708,
"density_atomic": 0.06640857037662255,
"volume": 15.05829736024591,
"volume_molar": 9.06831863093373,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -5.1200173,
"energy_per_atom": -5.1200173,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.1200173,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.599000Z",
"spacegroup": 191
},
{
"id": "mp-1096593",
"created_at": "2022-09-04T14:45:19.777629Z",
"structure_string": "La1 Y1 Hg2\n1.0\n-6.140412 6.351773 8.983111\n6.140412 -6.351773 8.983111\n6.140412 6.351773 -8.983111\nLa Y Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246129 0.246129 Hg\n0.000000 0.753871 0.753871 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Hg"
],
"chemical_system": "Hg-La-Y",
"density": 0.7452714966998385,
"density_atomic": 0.002854176022075029,
"volume": 1401.4552603143024,
"volume_molar": 210.9940211613793,
"formula_full": "La1 Y1 Hg2",
"formula_reduced": "LaYHg2",
"formula_anonymous": "ABC2",
"energy": -5.11738187,
"energy_per_atom": -1.2793454675,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.11738187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.393317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.764000Z",
"spacegroup": 71
},
{
"id": "mp-1093582",
"created_at": "2022-09-04T14:48:20.475609Z",
"structure_string": "Ba2 Cd1 Ge1\n1.0\n-6.775685 6.975361 9.852347\n6.775685 -6.975361 9.852347\n6.775685 6.975361 -9.852347\nBa Cd Ge\n2 1 1\ndirect\n0.000000 0.216915 0.216915 Ba\n0.000000 0.783085 0.783085 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Ge"
],
"chemical_system": "Ba-Cd-Ge",
"density": 0.4098347106356397,
"density_atomic": 0.0021475357602241505,
"volume": 1862.5999501784768,
"volume_molar": 280.42097698859436,
"formula_full": "Ba2 Cd1 Ge1",
"formula_reduced": "Ba2CdGe",
"formula_anonymous": "ABC2",
"energy": -5.11463111,
"energy_per_atom": -1.2786577775,
"energy_above_hull": null,
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"energy_uncorrected": -5.11463111,
"band_gap": 0.0671000000000001,
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"total_magnetization": 0.0005748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.151000Z",
"spacegroup": 71
}
]
}