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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=17",
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"results": [
{
"id": "mp-1096613",
"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
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"elements": [
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"La",
"Mg"
],
"chemical_system": "La-Mg-Sr",
"density": 0.315794011479698,
"density_atomic": 0.0027648285245853665,
"volume": 1446.7443331227453,
"volume_molar": 217.81245044493755,
"formula_full": "Sr1 La1 Mg2",
"formula_reduced": "SrLaMg2",
"formula_anonymous": "ABC2",
"energy": -2.5548613,
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"updated_at": "2021-11-28T01:38:31.078000Z",
"spacegroup": 71
},
{
"id": "mp-1096162",
"created_at": "2022-09-04T14:40:31.663083Z",
"structure_string": "Mg2 Cd1 Ga1\n1.0\n-5.520032 5.951147 8.421434\n5.520032 -5.951147 8.421434\n5.520032 5.951147 -8.421434\nMg Cd Ga\n2 1 1\ndirect\n0.000000 0.245625 0.245625 Mg\n0.000000 0.754375 0.754375 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Mg",
"density": 0.34625113078598735,
"density_atomic": 0.003614695157617059,
"volume": 1106.5940074008754,
"volume_molar": 166.6016219185138,
"formula_full": "Mg2 Cd1 Ga1",
"formula_reduced": "Mg2CdGa",
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"energy": -2.57092258,
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"energy_uncorrected": -2.57092258,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.1475153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.535000Z",
"spacegroup": 71
},
{
"id": "mp-542239",
"created_at": "2022-09-04T14:47:17.539109Z",
"structure_string": "Cs5 Hg19\n1.0\n-6.236928 6.236928 5.661681\n6.236928 -6.236928 5.661681\n6.236928 6.236928 -5.661681\nCs Hg\n5 19\ndirect\n0.119118 0.324303 0.443421 Cs\n0.324303 0.880882 0.205185 Cs\n0.675697 0.119118 0.794815 Cs\n0.880882 0.675697 0.556579 Cs\n0.500000 0.500000 0.000000 Cs\n0.246243 0.063395 0.589332 Hg\n0.063395 0.474062 0.817152 Hg\n0.656910 0.246243 0.182848 Hg\n0.474062 0.656910 0.410668 Hg\n0.753757 0.936605 0.410668 Hg\n0.936605 0.525938 0.182848 Hg\n0.343090 0.753757 0.817152 Hg\n0.525938 0.343090 0.589332 Hg\n0.250000 0.750000 0.500000 Hg\n0.750000 0.250000 0.500000 Hg\n0.954470 0.861779 0.252514 Hg\n0.861779 0.609265 0.907309 Hg\n0.701956 0.954470 0.092691 Hg\n0.609265 0.701956 0.747486 Hg\n0.045530 0.138221 0.747486 Hg\n0.138221 0.390735 0.092691 Hg\n0.298044 0.045530 0.907309 Hg\n0.390735 0.298044 0.252514 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 8.436587850901041,
"density_atomic": 0.027243593612802177,
"volume": 880.9410513568238,
"volume_molar": 22.104795885554925,
"formula_full": "Cs5 Hg19",
"formula_reduced": "Cs5Hg19",
"formula_anonymous": "A5B19",
"energy": -15.56930887,
"energy_per_atom": -0.6487212029166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.56930887,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0149128,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.774000Z",
"spacegroup": 87
},
{
"id": "mp-1097144",
"created_at": "2022-09-04T14:43:21.792511Z",
"structure_string": "Li1 Tl1 Hg2\n1.0\n-5.786293 5.840750 9.047056\n5.786293 -5.840750 9.047056\n5.786293 5.840750 -9.047056\nLi Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Tl\n0.768348 0.000000 0.768348 Hg\n0.231652 0.000000 0.231652 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Hg"
],
"chemical_system": "Hg-Li-Tl",
"density": 0.8316142656620669,
"density_atomic": 0.003270571760930784,
"volume": 1223.027743278021,
"volume_molar": 184.13113058513466,
"formula_full": "Li1 Tl1 Hg2",
"formula_reduced": "LiTlHg2",
"formula_anonymous": "ABC2",
"energy": -2.59558751,
"energy_per_atom": -0.6488968775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.59558751,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0924103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.572000Z",
"spacegroup": 71
},
{
"id": "mp-1097089",
"created_at": "2022-09-04T14:44:19.043024Z",
"structure_string": "Cs1 Rb1 Na2\n1.0\n-7.672120 8.188441 10.868048\n7.672120 -8.188441 10.868048\n7.672120 8.188441 -10.868048\nCs Rb Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.753124 0.000000 0.753124 Na\n0.246876 0.000000 0.246876 Na\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Na"
],
"chemical_system": "Cs-Na-Rb",
"density": 0.1607329243172449,
"density_atomic": 0.0014646432044920594,
"volume": 2731.0405617777787,
"volume_molar": 411.1677671073815,
"formula_full": "Cs1 Rb1 Na2",
"formula_reduced": "CsRbNa2",
"formula_anonymous": "ABC2",
"energy": -2.59798321,
"energy_per_atom": -0.6494958025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.59798321,
"band_gap": 0.3255999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.616000Z",
"spacegroup": 71
},
{
"id": "mp-1095895",
"created_at": "2022-09-04T14:47:05.432711Z",
"structure_string": "Li2 Zn1 Hg1\n1.0\n-5.546521 5.616342 7.843443\n5.546521 -5.616342 7.843443\n5.546521 5.616342 -7.843443\nLi Zn Hg\n2 1 1\ndirect\n0.248743 0.000000 0.248743 Li\n0.751257 0.000000 0.751257 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Hg"
],
"chemical_system": "Hg-Li-Zn",
"density": 0.47553399684329495,
"density_atomic": 0.004092786100014453,
"volume": 977.3293551758973,
"volume_molar": 147.1403736437322,
"formula_full": "Li2 Zn1 Hg1",
"formula_reduced": "Li2ZnHg",
"formula_anonymous": "ABC2",
"energy": -2.59891284,
"energy_per_atom": -0.64972821,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.59891284,
"band_gap": 0.6725999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.579000Z",
"spacegroup": 71
},
{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sr",
"density": 0.5195942102289478,
"density_atomic": 0.0025509689008503815,
"volume": 1568.0316599181492,
"volume_molar": 236.07268430408863,
"formula_full": "Sr2 In1 Hg1",
"formula_reduced": "Sr2InHg",
"formula_anonymous": "ABC2",
"energy": -2.59934461,
"energy_per_atom": -0.6498361525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.59934461,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9998226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.424000Z",
"spacegroup": 71
},
{
"id": "mp-1096153",
"created_at": "2022-09-04T14:39:28.283012Z",
"structure_string": "Ba2 Tl1 Hg1\n1.0\n-6.487499 7.224893 10.120803\n6.487499 -7.224893 10.120803\n6.487499 7.224893 -10.120803\nBa Tl Hg\n2 1 1\ndirect\n0.000000 0.251302 0.251302 Ba\n0.000000 0.748698 0.748698 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Hg"
],
"chemical_system": "Ba-Hg-Tl",
"density": 0.5947524324369714,
"density_atomic": 0.00210802765970442,
"volume": 1897.508309051725,
"volume_molar": 285.67655325947675,
"formula_full": "Ba2 Tl1 Hg1",
"formula_reduced": "Ba2TlHg",
"formula_anonymous": "ABC2",
"energy": -2.62978741,
"energy_per_atom": -0.6574468525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.62978741,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0000537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.754000Z",
"spacegroup": 71
},
{
"id": "mp-31472",
"created_at": "2022-09-04T14:44:58.825924Z",
"structure_string": "Rb5 Hg19\n1.0\n-6.147603 6.147603 5.478199\n6.147603 -6.147603 5.478199\n6.147603 6.147603 -5.478199\nRb Hg\n5 19\ndirect\n0.500000 0.500000 0.000000 Rb\n0.675888 0.120340 0.796229 Rb\n0.879660 0.675888 0.555548 Rb\n0.120340 0.324112 0.444452 Rb\n0.324112 0.879660 0.203771 Rb\n0.472744 0.654507 0.408178 Hg\n0.246328 0.064566 0.591822 Hg\n0.064566 0.472744 0.818237 Hg\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.293373 0.040662 0.906492 Hg\n0.386880 0.293373 0.252711 Hg\n0.040662 0.134170 0.747289 Hg\n0.134170 0.386880 0.093508 Hg\n0.706627 0.959338 0.093508 Hg\n0.613120 0.706627 0.747289 Hg\n0.959338 0.865830 0.252711 Hg\n0.865830 0.613120 0.906492 Hg\n0.000000 0.000000 0.000000 Hg\n0.654507 0.246328 0.181763 Hg\n0.935434 0.527256 0.181763 Hg\n0.753672 0.935434 0.408178 Hg\n0.527256 0.345493 0.591822 Hg\n0.345493 0.753672 0.818237 Hg\n",
"nsites": 24,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Rb",
"density": 8.498785775261773,
"density_atomic": 0.028980229363623718,
"volume": 828.1507954566104,
"volume_molar": 20.780169419773646,
"formula_full": "Rb5 Hg19",
"formula_reduced": "Rb5Hg19",
"formula_anonymous": "A5B19",
"energy": -15.80915457,
"energy_per_atom": -0.65871477375,
"energy_above_hull": null,
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"energy_uncorrected": -15.80915457,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:48.192000Z",
"spacegroup": 87
},
{
"id": "mp-1095971",
"created_at": "2022-09-04T14:39:48.368982Z",
"structure_string": "Sr2 Mg1 In1\n1.0\n-6.143645 6.902114 9.188986\n6.143645 -6.902114 9.188986\n6.143645 6.902114 -9.188986\nSr Mg In\n2 1 1\ndirect\n0.733437 0.000000 0.733437 Sr\n0.266563 0.000000 0.266563 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"In"
],
"chemical_system": "In-Mg-Sr",
"density": 0.33492278975094364,
"density_atomic": 0.0025663989519238376,
"volume": 1558.6041277804834,
"volume_molar": 234.65333616527744,
"formula_full": "Sr2 Mg1 In1",
"formula_reduced": "Sr2MgIn",
"formula_anonymous": "ABC2",
"energy": -2.63903674,
"energy_per_atom": -0.659759185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.63903674,
"band_gap": 0.0,
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"total_magnetization": 1.7247893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.036000Z",
"spacegroup": 71
},
{
"id": "mp-1096599",
"created_at": "2022-09-04T14:41:15.920361Z",
"structure_string": "Na1 Cd2 In1\n1.0\n-5.977618 6.294192 8.963605\n5.977618 -6.294192 8.963605\n5.977618 6.294192 -8.963605\nNa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.252715 0.252715 Cd\n0.000000 0.747285 0.747285 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"In"
],
"chemical_system": "Cd-In-Na",
"density": 0.446376893027602,
"density_atomic": 0.002965166911795407,
"volume": 1348.9965721956617,
"volume_molar": 203.09618106299442,
"formula_full": "Na1 Cd2 In1",
"formula_reduced": "NaCd2In",
"formula_anonymous": "ABC2",
"energy": -2.65177555,
"energy_per_atom": -0.6629438875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.65177555,
"band_gap": 0.0056000000000002,
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"is_magnetic": false,
"total_magnetization": 0.0487441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.247000Z",
"spacegroup": 71
},
{
"id": "mp-1093639",
"created_at": "2022-09-04T14:40:31.353718Z",
"structure_string": "La1 Mg2 Cd1\n1.0\n-6.348615 7.491552 10.604657\n6.348615 -7.491552 10.604657\n6.348615 7.491552 -10.604657\nLa Mg Cd\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.239391 0.239391 Mg\n0.000000 0.760609 0.760609 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-La-Mg",
"density": 0.2468632753388417,
"density_atomic": 0.001982679812260511,
"volume": 2017.471492504624,
"volume_molar": 303.73743267875324,
"formula_full": "La1 Mg2 Cd1",
"formula_reduced": "LaMg2Cd",
"formula_anonymous": "ABC2",
"energy": -2.66496347,
"energy_per_atom": -0.6662408675,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -2.66496347,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.4783742,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.969000Z",
"spacegroup": 71
}
]
}