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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12108",
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"results": [
{
"id": "mp-1026413",
"created_at": "2022-09-04T14:47:45.280312Z",
"structure_string": "K1 Rb1 Mg14\n1.0\n6.773480 0.159559 0.000000\n-3.248558 5.626666 0.000000\n0.000000 0.000000 11.106494\nK Rb Mg\n1 1 14\ndirect\n0.170195 0.335097 0.125000 K\n0.168381 0.834190 0.125000 Rb\n0.157894 0.328947 0.625000 Mg\n0.158677 0.829338 0.625000 Mg\n0.669684 0.335034 0.125000 Mg\n0.670291 0.334652 0.625000 Mg\n0.669684 0.834649 0.125000 Mg\n0.670291 0.835638 0.625000 Mg\n0.344774 0.173215 0.405546 Mg\n0.344774 0.173215 0.844454 Mg\n0.344774 0.671560 0.405546 Mg\n0.344774 0.671560 0.844454 Mg\n0.822835 0.161418 0.384298 Mg\n0.822835 0.161418 0.865702 Mg\n0.820069 0.660035 0.388299 Mg\n0.820069 0.660035 0.861701 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "K-Mg-Rb",
"density": 1.7990458611604856,
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"volume": 429.04881986614794,
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"formula_full": "K1 Rb1 Mg14",
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"total_magnetization": 1e-06,
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"updated_at": "2021-11-28T01:38:17.248000Z",
"spacegroup": 38
},
{
"id": "mp-1096443",
"created_at": "2022-09-04T14:39:20.425879Z",
"structure_string": "Mg2 Hg1 Pt1\n1.0\n-5.255245 6.555867 9.124055\n5.255245 -6.555867 9.124055\n5.255245 6.555867 -9.124055\nMg Hg Pt\n2 1 1\ndirect\n0.000000 0.232476 0.232476 Mg\n0.000000 0.767524 0.767524 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pt"
],
"chemical_system": "Hg-Mg-Pt",
"density": 0.5867306595158562,
"density_atomic": 0.0031811855669195187,
"volume": 1257.392854285258,
"volume_molar": 189.3049189780998,
"formula_full": "Mg2 Hg1 Pt1",
"formula_reduced": "Mg2HgPt",
"formula_anonymous": "ABC2",
"energy": -5.40419075,
"energy_per_atom": -1.3510476875,
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"energy_uncorrected": -5.40419075,
"band_gap": 0.0294000000000003,
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"is_magnetic": false,
"total_magnetization": 0.0027057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.895000Z",
"spacegroup": 71
},
{
"id": "mp-1026598",
"created_at": "2022-09-04T14:46:57.783644Z",
"structure_string": "Cs1 Mg14 Cd1\n1.0\n6.608285 -0.000000 -0.000000\n-3.304142 5.722942 0.000000\n-0.000000 0.000000 10.761846\nCs Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Cs\n0.172536 0.836267 0.125000 Mg\n0.161640 0.830819 0.625000 Mg\n0.663733 0.327464 0.125000 Mg\n0.669181 0.338360 0.625000 Mg\n0.663733 0.836267 0.125000 Mg\n0.669181 0.830819 0.625000 Mg\n0.339675 0.160325 0.394868 Mg\n0.339675 0.160325 0.855132 Mg\n0.339675 0.679352 0.394868 Mg\n0.339675 0.679352 0.855132 Mg\n0.820648 0.160325 0.394868 Mg\n0.820648 0.160325 0.855132 Mg\n0.833333 0.666667 0.371959 Mg\n0.833333 0.666667 0.878041 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Cd"
],
"chemical_system": "Cd-Cs-Mg",
"density": 2.3891600018734525,
"density_atomic": 0.039311996478697035,
"volume": 407.00044345675286,
"volume_molar": 15.318837249243668,
"formula_full": "Cs1 Mg14 Cd1",
"formula_reduced": "CsMg14Cd",
"formula_anonymous": "ABC14",
"energy": -21.61605601,
"energy_per_atom": -1.351003500625,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -21.61605601,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.126000Z",
"spacegroup": 187
},
{
"id": "mp-974662",
"created_at": "2022-09-04T14:40:44.018589Z",
"structure_string": "Rb6 Pr2\n1.0\n4.579782 -7.932416 0.000000\n4.579782 7.932416 0.000000\n0.000000 0.000000 7.566371\nRb Pr\n6 2\ndirect\n0.172574 0.345149 0.250000 Rb\n0.654851 0.827426 0.250000 Rb\n0.172574 0.827426 0.250000 Rb\n0.827426 0.654851 0.750000 Rb\n0.345149 0.172574 0.750000 Rb\n0.827426 0.172574 0.750000 Rb\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Pr"
],
"chemical_system": "Pr-Rb",
"density": 2.4001689957246333,
"density_atomic": 0.014551979407606837,
"volume": 549.753389275559,
"volume_molar": 41.38365366880613,
"formula_full": "Rb6 Pr2",
"formula_reduced": "Rb3Pr",
"formula_anonymous": "AB3",
"energy": -10.80328474,
"energy_per_atom": -1.3504105925,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -10.80328474,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.404000Z",
"spacegroup": 194
},
{
"id": "mp-1187566",
"created_at": "2022-09-04T14:43:07.219910Z",
"structure_string": "Tl1 Zn3\n1.0\n4.311399 0.000000 0.000000\n0.000000 4.311399 0.000000\n0.000000 0.000000 4.311399\nTl Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
"Tl",
"Zn"
],
"chemical_system": "Tl-Zn",
"density": 8.300735178974698,
"density_atomic": 0.04991204237788621,
"volume": 80.14098020104704,
"volume_molar": 12.065506585376959,
"formula_full": "Tl1 Zn3",
"formula_reduced": "TlZn3",
"formula_anonymous": "AB3",
"energy": -5.40022949,
"energy_per_atom": -1.3500573725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.40022949,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.003113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.121000Z",
"spacegroup": 221
},
{
"id": "mp-973334",
"created_at": "2022-09-04T14:48:12.373812Z",
"structure_string": "Na2 Mg2\n1.0\n3.290952 0.000000 0.000000\n0.000000 5.530791 0.000000\n0.000000 0.000000 6.202480\nNa Mg\n2 2\ndirect\n0.500000 0.750000 0.349190 Na\n0.500000 0.250000 0.650810 Na\n0.000000 0.250000 0.134950 Mg\n0.000000 0.750000 0.865050 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.3912911939665598,
"density_atomic": 0.03543119688990069,
"volume": 112.89485964670192,
"volume_molar": 16.996718396822068,
"formula_full": "Na2 Mg2",
"formula_reduced": "NaMg",
"formula_anonymous": "AB",
"energy": -5.40005619,
"energy_per_atom": -1.3500140475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.40005619,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0044096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.792000Z",
"spacegroup": 51
},
{
"id": "mp-865100",
"created_at": "2022-09-04T14:43:58.445381Z",
"structure_string": "Na1 In1 Hg2\n1.0\n0.000000 3.711129 3.711129\n3.711129 0.000000 3.711129\n3.711129 3.711129 0.000000\nNa In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"In",
"Hg"
],
"chemical_system": "Hg-In-Na",
"density": 8.755477969828611,
"density_atomic": 0.03913017977683796,
"volume": 102.22288838978682,
"volume_molar": 15.39001556942665,
"formula_full": "Na1 In1 Hg2",
"formula_reduced": "NaInHg2",
"formula_anonymous": "ABC2",
"energy": -5.39793804,
"energy_per_atom": -1.34948451,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.39793804,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0019639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.005000Z",
"spacegroup": 225
},
{
"id": "mp-1039124",
"created_at": "2022-09-04T14:40:28.250377Z",
"structure_string": "Mg1 Cd1\n1.0\n3.243787 0.000000 0.000000\n0.000000 3.243787 0.000000\n0.000000 0.000000 4.122161\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.234061639678145,
"density_atomic": 0.04611055904437069,
"volume": 43.37401327265334,
"volume_molar": 13.060220662701335,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.69873064,
"energy_per_atom": -1.34936532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.69873064,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.636000Z",
"spacegroup": 123
},
{
"id": "mp-1093578",
"created_at": "2022-09-04T14:46:12.865612Z",
"structure_string": "Ca2 Hg1 Bi1\n1.0\n-6.110811 6.598313 9.302533\n6.110811 -6.598313 9.302533\n6.110811 6.598313 -9.302533\nCa Hg Bi\n2 1 1\ndirect\n0.000000 0.267416 0.267416 Ca\n0.000000 0.732584 0.732584 Ca\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Ca-Hg",
"density": 0.542012919395413,
"density_atomic": 0.002666042178216822,
"volume": 1500.3513570349414,
"volume_molar": 225.88317653803583,
"formula_full": "Ca2 Hg1 Bi1",
"formula_reduced": "Ca2HgBi",
"formula_anonymous": "ABC2",
"energy": -5.39313568,
"energy_per_atom": -1.34828392,
"energy_above_hull": null,
"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.958000Z",
"spacegroup": 71
},
{
"id": "mp-818167",
"created_at": "2022-09-04T14:44:54.954683Z",
"structure_string": "Li2 Mn2 P2 O8 F2\n1.0\n5.196866 0.000000 0.000000\n-0.766618 5.280096 0.000000\n-1.830403 -2.685228 6.641420\nLi Mn P O F\n2 2 2 8 2\ndirect\n0.919672 0.191460 0.189005 Li\n0.080328 0.808540 0.810995 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.444527 0.593369 0.762695 P\n0.555473 0.406631 0.237305 P\n0.719344 0.671337 0.083028 O\n0.646939 0.000162 0.340820 O\n0.353061 0.999838 0.659180 O\n0.636243 0.405992 0.385877 O\n0.280656 0.328663 0.916972 O\n0.363757 0.594008 0.614123 O\n0.243288 0.545087 0.117571 O\n0.756712 0.454913 0.882429 O\n0.122810 0.812054 0.263098 F\n0.877190 0.187946 0.736902 F\n",
"nsites": 16,
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"elements": [
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"Mn",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P",
"density": 3.2046030681962225,
"density_atomic": 0.08779619602237015,
"volume": 182.24024188842142,
"volume_molar": 6.859227429928263,
"formula_full": "Li2 Mn2 P2 O8 F2",
"formula_reduced": "LiMnPO4F",
"formula_anonymous": "ABCDE4",
"energy": -21.56902102,
"energy_per_atom": -1.34806381375,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.257000Z",
"spacegroup": 2
},
{
"id": "mp-1099112",
"created_at": "2022-09-04T14:40:09.785213Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n3.814808 -5.812343 0.000000\n3.814808 5.812343 0.000000\n0.000000 0.000000 5.509187\nRb Ca Mg\n1 1 6\ndirect\n0.162377 0.837623 0.000000 Rb\n0.658901 0.341099 0.000000 Ca\n0.667510 0.837123 0.000000 Mg\n0.162877 0.332490 0.000000 Mg\n0.808666 0.663054 0.500000 Mg\n0.336946 0.191334 0.500000 Mg\n0.846749 0.153251 0.500000 Mg\n0.355977 0.644023 0.500000 Mg\n",
"nsites": 8,
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"elements": [
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"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8445005314313823,
"density_atomic": 0.03274526862310706,
"volume": 244.3101045246797,
"volume_molar": 18.390872981724176,
"formula_full": "Rb1 Ca1 Mg6",
"formula_reduced": "RbCaMg6",
"formula_anonymous": "ABC6",
"energy": -10.78445979,
"energy_per_atom": -1.34805747375,
"energy_above_hull": null,
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"total_magnetization": 0.008456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.428000Z",
"spacegroup": 38
},
{
"id": "mp-11267",
"created_at": "2022-09-04T14:39:12.634534Z",
"structure_string": "Ba1 Hg2\n1.0\n2.614843 -4.529040 0.000000\n2.614843 4.529040 0.000000\n0.000000 0.000000 4.346182\nBa Hg\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ba-Hg",
"density": 8.686618959940219,
"density_atomic": 0.02914282012489497,
"volume": 102.94130722912706,
"volume_molar": 20.664234738406957,
"formula_full": "Ba1 Hg2",
"formula_reduced": "BaHg2",
"formula_anonymous": "AB2",
"energy": -4.04367412,
"energy_per_atom": -1.3478913733333335,
"energy_above_hull": null,
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"total_magnetization": 0.0048147,
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"updated_at": "2021-11-28T01:34:36.135000Z",
"spacegroup": 191
}
]
}