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{
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"results": [
{
"id": "mp-1096616",
"created_at": "2022-09-04T14:42:24.587774Z",
"structure_string": "Mg1 Zr1 Cd2\n1.0\n-5.957151 6.010980 8.501329\n5.957151 -6.010980 8.501329\n5.957151 6.010980 -8.501329\nMg Zr Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.250338 0.250338 Cd\n0.000000 0.749662 0.749662 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Mg-Zr",
"density": 0.4641361782537224,
"density_atomic": 0.0032849539425102814,
"volume": 1217.6730846166136,
"volume_molar": 183.32496788061596,
"formula_full": "Mg1 Zr1 Cd2",
"formula_reduced": "MgZrCd2",
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{
"id": "mp-1093843",
"created_at": "2022-09-04T14:41:58.053206Z",
"structure_string": "Li2 Tl1 Zn1\n1.0\n-5.652621 5.728960 7.836651\n5.652621 -5.728960 7.836651\n5.652621 5.728960 -7.836651\nLi Tl Zn\n2 1 1\ndirect\n0.000000 0.247253 0.247253 Li\n0.000000 0.752747 0.752747 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Tl-Zn",
"density": 0.4640373459645797,
"density_atomic": 0.003940431990153828,
"volume": 1015.1171267503202,
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"formula_full": "Li2 Tl1 Zn1",
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"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.185000Z",
"spacegroup": 71
},
{
"id": "mp-1097358",
"created_at": "2022-09-04T14:40:40.693068Z",
"structure_string": "Mg1 Zn2 Pd1\n1.0\n-5.295738 5.593849 7.899852\n5.295738 -5.593849 7.899852\n5.295738 5.593849 -7.899852\nMg Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.271258 0.271258 Zn\n0.000000 0.728742 0.728742 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
"Mg",
"Zn",
"Pd"
],
"chemical_system": "Mg-Pd-Zn",
"density": 0.46395517405662096,
"density_atomic": 0.004273107466787212,
"volume": 936.0869182649996,
"volume_molar": 140.93117963466108,
"formula_full": "Mg1 Zn2 Pd1",
"formula_reduced": "MgZn2Pd",
"formula_anonymous": "ABC2",
"energy": -4.88922279,
"energy_per_atom": -1.2223056975,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.88922279,
"band_gap": 0.6639999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.907000Z",
"spacegroup": 71
},
{
"id": "mp-1095920",
"created_at": "2022-09-04T14:44:41.996842Z",
"structure_string": "Y2 Ni1 Pd1\n1.0\n-5.019307 6.412632 9.541862\n5.019307 -6.412632 9.541862\n5.019307 6.412632 -9.541862\nY Ni Pd\n2 1 1\ndirect\n0.000000 0.240107 0.240107 Y\n0.000000 0.759893 0.759893 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Y",
"density": 0.4635271439755727,
"density_atomic": 0.003256017956185,
"volume": 1228.4944536014495,
"volume_molar": 184.95416306168045,
"formula_full": "Y2 Ni1 Pd1",
"formula_reduced": "Y2NiPd",
"formula_anonymous": "ABC2",
"energy": -16.49738502,
"energy_per_atom": -4.124346255,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.49738502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.577969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.329000Z",
"spacegroup": 71
},
{
"id": "mp-1097474",
"created_at": "2022-09-04T14:48:09.542143Z",
"structure_string": "Na1 Cd2 Pd1\n1.0\n-5.672306 6.303934 8.884941\n5.672306 -6.303934 8.884941\n5.672306 6.303934 -8.884941\nNa Cd Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.269339 0.269339 Cd\n0.000000 0.730661 0.730661 Cd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Cd",
"Pd"
],
"chemical_system": "Cd-Na-Pd",
"density": 0.4628611789633185,
"density_atomic": 0.0031475609075781496,
"volume": 1270.8252889942482,
"volume_molar": 191.32721929227606,
"formula_full": "Na1 Cd2 Pd1",
"formula_reduced": "NaCd2Pd",
"formula_anonymous": "ABC2",
"energy": -5.00708211,
"energy_per_atom": -1.2517705275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.00708211,
"band_gap": 0.3178999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.735000Z",
"spacegroup": 71
},
{
"id": "mp-1096133",
"created_at": "2022-09-04T14:45:43.063326Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n-4.761351 5.975253 8.748090\n4.761351 -5.975253 8.748090\n4.761351 5.975253 -8.748090\nMg V Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 V\n0.000000 0.285315 0.285315 Ru\n0.000000 0.714685 0.714685 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ru"
],
"chemical_system": "Mg-Ru-V",
"density": 0.46267356609350613,
"density_atomic": 0.004017910521109194,
"volume": 995.5423295229955,
"volume_molar": 149.88240102314458,
"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
"formula_anonymous": "ABC2",
"energy": -17.98356757,
"energy_per_atom": -4.4958918925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.98356757,
"band_gap": 0.1345,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.094000Z",
"spacegroup": 71
},
{
"id": "mp-1096092",
"created_at": "2022-09-04T14:40:06.148279Z",
"structure_string": "Li1 Y2 Hg1\n1.0\n-6.140635 6.307838 8.926279\n6.140635 -6.307838 8.926279\n6.140635 6.307838 -8.926279\nLi Y Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257492 0.257492 Y\n0.000000 0.742508 0.742508 Y\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Hg"
],
"chemical_system": "Hg-Li-Y",
"density": 0.4626706712648712,
"density_atomic": 0.002892249323880915,
"volume": 1383.006633270699,
"volume_molar": 208.21651543924622,
"formula_full": "Li1 Y2 Hg1",
"formula_reduced": "LiY2Hg",
"formula_anonymous": "ABC2",
"energy": -7.20160102,
"energy_per_atom": -1.800400255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.20160102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0002764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.983000Z",
"spacegroup": 71
},
{
"id": "mp-1093958",
"created_at": "2022-09-04T14:46:41.221129Z",
"structure_string": "Al2 Co1 Tc1\n1.0\n-4.865583 5.245422 7.415262\n4.865583 -5.245422 7.415262\n4.865583 5.245422 -7.415262\nAl Co Tc\n2 1 1\ndirect\n0.000000 0.247745 0.247745 Al\n0.000000 0.752255 0.752255 Al\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Tc"
],
"chemical_system": "Al-Co-Tc",
"density": 0.46261125025806615,
"density_atomic": 0.005283943690639424,
"volume": 757.0103381468755,
"volume_molar": 113.97057032739205,
"formula_full": "Al2 Co1 Tc1",
"formula_reduced": "Al2CoTc",
"formula_anonymous": "ABC2",
"energy": -14.23448042,
"energy_per_atom": -3.558620105,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -14.23448042,
"band_gap": 0.0108000000000001,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.717000Z",
"spacegroup": 71
},
{
"id": "mp-1093923",
"created_at": "2022-09-04T14:46:53.158863Z",
"structure_string": "Sc2 Ga1 Co1\n1.0\n-4.876169 5.218147 7.711720\n4.876169 -5.218147 7.711720\n4.876169 5.218147 -7.711720\nSc Ga Co\n2 1 1\ndirect\n0.000000 0.218067 0.218067 Sc\n0.000000 0.781933 0.781933 Sc\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Sc",
"density": 0.46241233548605765,
"density_atomic": 0.005096284785231492,
"volume": 784.8854937603934,
"volume_molar": 118.16727309767977,
"formula_full": "Sc2 Ga1 Co1",
"formula_reduced": "Sc2GaCo",
"formula_anonymous": "ABC2",
"energy": -14.19629164,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -14.19629164,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.155000Z",
"spacegroup": 71
},
{
"id": "mp-1097232",
"created_at": "2022-09-04T14:43:09.679160Z",
"structure_string": "Y2 Zn1 Ag1\n1.0\n-5.825033 6.189947 8.749519\n5.825033 -6.189947 8.749519\n5.825033 6.189947 -8.749519\nY Zn Ag\n2 1 1\ndirect\n0.000000 0.244048 0.244048 Y\n0.000000 0.755952 0.755952 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density": 0.4619943943726982,
"density_atomic": 0.0031697900722065637,
"volume": 1261.9132210277598,
"volume_molar": 189.98547609835404,
"formula_full": "Y2 Zn1 Ag1",
"formula_reduced": "Y2ZnAg",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -8.65104101,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.884000Z",
"spacegroup": 71
},
{
"id": "mp-23156",
"created_at": "2022-09-04T14:43:56.764525Z",
"structure_string": "He2\n1.0\n1.366348 -2.366585 0.000000\n1.366348 2.366585 0.000000\n0.000000 0.000000 4.449274\nHe\n2\ndirect\n0.333333 0.666667 0.250000 He\n0.666667 0.333333 0.750000 He\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "He",
"density": 0.46197547512238424,
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"volume": 28.774155109816345,
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"formula_full": "He2",
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"formula_anonymous": "A",
"energy": -0.01417751,
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"energy_above_hull": null,
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"band_gap": 17.7675,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.785000Z",
"spacegroup": 194
},
{
"id": "mp-1096079",
"created_at": "2022-09-04T14:42:21.297359Z",
"structure_string": "Li2 Tl1 Rh1\n1.0\n-5.367531 6.017558 8.942086\n5.367531 -6.017558 8.942086\n5.367531 6.017558 -8.942086\nLi Tl Rh\n2 1 1\ndirect\n0.000000 0.226912 0.226912 Li\n0.000000 0.773088 0.773088 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Tl",
"Rh"
],
"chemical_system": "Li-Rh-Tl",
"density": 0.4616272856809746,
"density_atomic": 0.0034623128802347717,
"volume": 1155.2970913849845,
"volume_molar": 173.934042598474,
"formula_full": "Li2 Tl1 Rh1",
"formula_reduced": "Li2TlRh",
"formula_anonymous": "ABC2",
"energy": -7.31566791,
"energy_per_atom": -1.8289169775,
"energy_above_hull": null,
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"energy_uncorrected": -7.31566791,
"band_gap": 0.2502,
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"total_magnetization": 0.0024089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.964000Z",
"spacegroup": 71
}
]
}