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{
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"results": [
{
"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,
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"elements": [
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"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",
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{
"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,
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"elements": [
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"V",
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],
"chemical_system": "Mg-Ru-V",
"density": 0.46267356609350613,
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"volume": 995.5423295229955,
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"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
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"energy_uncorrected": -17.98356757,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.094000Z",
"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,
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"energy_uncorrected": -5.00708211,
"band_gap": 0.3178999999999998,
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"total_magnetization": 0.0017015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.735000Z",
"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,
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"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-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,
"nelements": 3,
"elements": [
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"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,
"decomposes_to": null,
"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-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": [
"Li",
"Tl",
"Zn"
],
"chemical_system": "Li-Tl-Zn",
"density": 0.4640373459645797,
"density_atomic": 0.003940431990153828,
"volume": 1015.1171267503202,
"volume_molar": 152.82945562942973,
"formula_full": "Li2 Tl1 Zn1",
"formula_reduced": "Li2TlZn",
"formula_anonymous": "ABC2",
"energy": -3.68240132,
"energy_per_atom": -0.92060033,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.68240132,
"band_gap": 0.0263999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0069195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.185000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Cd"
],
"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",
"formula_anonymous": "ABC2",
"energy": -4.7628405,
"energy_per_atom": -1.190710125,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7628405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7035889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.892000Z",
"spacegroup": 71
},
{
"id": "mp-1097487",
"created_at": "2022-09-04T14:48:00.856327Z",
"structure_string": "Mn1 Nb2 Mo1\n1.0\n-4.923585 6.150991 9.935697\n4.923585 -6.150991 9.935697\n4.923585 6.150991 -9.935697\nMn Nb Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.263196 0.263196 Nb\n0.000000 0.736804 0.736804 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Mo"
],
"chemical_system": "Mn-Mo-Nb",
"density": 0.46451045345297926,
"density_atomic": 0.003323342716356002,
"volume": 1203.6074342600282,
"volume_molar": 181.20733472240838,
"formula_full": "Mn1 Nb2 Mo1",
"formula_reduced": "MnNb2Mo",
"formula_anonymous": "ABC2",
"energy": -23.92045769,
"energy_per_atom": -5.9801144225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.92045769,
"band_gap": 0.0064999999999999,
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"is_magnetic": true,
"total_magnetization": 0.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.820000Z",
"spacegroup": 71
},
{
"id": "mp-1097152",
"created_at": "2022-09-04T14:45:35.961207Z",
"structure_string": "Mn2 Al1 Mo1\n1.0\n-5.223346 5.367287 7.420261\n5.223346 -5.367287 7.420261\n5.223346 5.367287 -7.420261\nMn Al Mo\n2 1 1\ndirect\n0.769125 0.000000 0.769125 Mn\n0.230875 0.000000 0.230875 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
"Mo"
],
"chemical_system": "Al-Mn-Mo",
"density": 0.4645632628790621,
"density_atomic": 0.004807034124486623,
"volume": 832.1139181484774,
"volume_molar": 125.27767858613123,
"formula_full": "Mn2 Al1 Mo1",
"formula_reduced": "Mn2AlMo",
"formula_anonymous": "ABC2",
"energy": -19.94838863,
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"energy_above_hull": null,
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"energy_uncorrected": -19.94838863,
"band_gap": 0.4478,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:04.147000Z",
"spacegroup": 71
},
{
"id": "mp-1097622",
"created_at": "2022-09-04T14:48:01.498836Z",
"structure_string": "Ti2 Nb1 Al1\n1.0\n-4.937004 5.336474 7.311555\n4.937004 -5.336474 7.311555\n4.937004 5.336474 -7.311555\nTi Nb Al\n2 1 1\ndirect\n0.000000 0.273938 0.273938 Ti\n0.000000 0.726062 0.726062 Ti\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
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"elements": [
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"Nb",
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],
"chemical_system": "Al-Nb-Ti",
"density": 0.4646804315680439,
"density_atomic": 0.005191255112572521,
"volume": 770.5265707925889,
"volume_molar": 116.00548671582689,
"formula_full": "Ti2 Nb1 Al1",
"formula_reduced": "Ti2NbAl",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -16.29663557,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.132000Z",
"spacegroup": 71
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{
"id": "mp-1096390",
"created_at": "2022-09-04T14:44:10.484541Z",
"structure_string": "Mg1 Ti1 Pd2\n1.0\n-4.634102 4.893618 11.200541\n4.634102 -4.893618 11.200541\n4.634102 4.893618 -11.200541\nMg Ti Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ti\n0.724955 0.000000 0.724955 Pd\n0.275045 0.000000 0.275045 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.46581942832549234,
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"volume": 1016.0021924184285,
"volume_molar": 152.96270538030953,
"formula_full": "Mg1 Ti1 Pd2",
"formula_reduced": "MgTiPd2",
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"energy": -13.52550451,
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"energy_above_hull": null,
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"energy_uncorrected": -13.52550451,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:27.199000Z",
"spacegroup": 71
},
{
"id": "mp-1095921",
"created_at": "2022-09-04T14:44:08.702452Z",
"structure_string": "Li1 Zn2 Ag1\n1.0\n-5.234082 5.439372 7.688627\n5.234082 -5.439372 7.688627\n5.234082 5.439372 -7.688627\nLi Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251423 0.251423 Zn\n0.000000 0.748577 0.748577 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Li-Zn",
"density": 0.46583003597863243,
"density_atomic": 0.004568376870100116,
"volume": 875.5845048992948,
"volume_molar": 131.82232839446155,
"formula_full": "Li1 Zn2 Ag1",
"formula_reduced": "LiZn2Ag",
"formula_anonymous": "ABC2",
"energy": -3.95614465,
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"energy_above_hull": null,
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"energy_uncorrected": -3.95614465,
"band_gap": 1.3320000000000003,
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"total_magnetization": 6.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.744000Z",
"spacegroup": 71
}
]
}