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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12162",
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"results": [
{
"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,
"nelements": 3,
"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,
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"band_gap": 0.0263999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.185000Z",
"spacegroup": 71
},
{
"id": "mp-1096098",
"created_at": "2022-09-04T14:43:16.047109Z",
"structure_string": "In1 Hg2 Pb1\n1.0\n-5.951155 6.321537 8.939183\n5.951155 -6.321537 8.939183\n5.951155 6.321537 -8.939183\nIn Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.251395 0.251395 Hg\n0.000000 0.748605 0.748605 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Hg",
"Pb"
],
"chemical_system": "Hg-In-Pb",
"density": 0.89273908387513,
"density_atomic": 0.0029735704063934792,
"volume": 1345.1842241231593,
"volume_molar": 202.52221864502633,
"formula_full": "In1 Hg2 Pb1",
"formula_reduced": "InHg2Pb",
"formula_anonymous": "ABC2",
"energy": -3.68120066,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -3.68120066,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.837184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.065000Z",
"spacegroup": 71
},
{
"id": "mp-1184024",
"created_at": "2022-09-04T14:42:54.055241Z",
"structure_string": "Ga2 Hg6\n1.0\n3.322291 -5.754377 0.000000\n3.322291 5.754377 0.000000\n0.000000 0.000000 5.299607\nGa Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.169082 0.338164 0.250000 Hg\n0.661836 0.830918 0.250000 Hg\n0.169082 0.830918 0.250000 Hg\n0.830918 0.661836 0.750000 Hg\n0.338164 0.169082 0.750000 Hg\n0.830918 0.169082 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 11.005529467702244,
"density_atomic": 0.03948029100272655,
"volume": 202.63275160376887,
"volume_molar": 15.253536909300147,
"formula_full": "Ga2 Hg6",
"formula_reduced": "GaHg3",
"formula_anonymous": "AB3",
"energy": -7.35765227,
"energy_per_atom": -0.91970653375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.35765227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.723000Z",
"spacegroup": 194
},
{
"id": "mp-1093890",
"created_at": "2022-09-04T14:39:08.056701Z",
"structure_string": "Li2 Tl1 Cd1\n1.0\n-5.758943 5.879143 8.366931\n5.758943 -5.879143 8.366931\n5.758943 5.879143 -8.366931\nLi Tl Cd\n2 1 1\ndirect\n0.000000 0.251342 0.251342 Li\n0.000000 0.748658 0.748658 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Cd"
],
"chemical_system": "Cd-Li-Tl",
"density": 0.484584127087973,
"density_atomic": 0.0035300187215037567,
"volume": 1133.1384662730727,
"volume_molar": 170.59798361167392,
"formula_full": "Li2 Tl1 Cd1",
"formula_reduced": "Li2TlCd",
"formula_anonymous": "ABC2",
"energy": -3.67880785,
"energy_per_atom": -0.9197019625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.67880785,
"band_gap": 0.0275000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0002229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.208000Z",
"spacegroup": 71
},
{
"id": "mp-972095",
"created_at": "2022-09-04T14:46:15.522133Z",
"structure_string": "Zn6 Hg2\n1.0\n2.939424 -5.091232 0.000000\n2.939424 5.091232 0.000000\n0.000000 0.000000 4.608014\nZn Hg\n6 2\ndirect\n0.158361 0.316721 0.250000 Zn\n0.683279 0.841639 0.250000 Zn\n0.158361 0.841639 0.250000 Zn\n0.841639 0.683279 0.750000 Zn\n0.316721 0.158361 0.750000 Zn\n0.841639 0.158361 0.750000 Zn\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 9.555214782013255,
"density_atomic": 0.058004418590133104,
"volume": 137.92052733997832,
"volume_molar": 10.382210366684724,
"formula_full": "Zn6 Hg2",
"formula_reduced": "Zn3Hg",
"formula_anonymous": "AB3",
"energy": -7.34835607,
"energy_per_atom": -0.91854450875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -7.34835607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.222000Z",
"spacegroup": 194
},
{
"id": "mp-569688",
"created_at": "2022-09-04T14:42:53.205346Z",
"structure_string": "Rb26\n1.0\n5.816474 -8.281877 0.000000\n5.816474 8.281877 0.000000\n0.000000 0.000000 25.505855\nRb\n26\ndirect\n0.412627 0.600965 0.927459 Rb\n0.600965 0.412627 0.072541 Rb\n0.175394 0.960455 0.393396 Rb\n0.089770 0.910230 0.750000 Rb\n0.429080 0.142106 0.232765 Rb\n0.824606 0.039545 0.893396 Rb\n0.039545 0.824606 0.106604 Rb\n0.706670 0.972475 0.456131 Rb\n0.972475 0.706670 0.543869 Rb\n0.027525 0.293330 0.043869 Rb\n0.857894 0.570920 0.267235 Rb\n0.399035 0.587373 0.572541 Rb\n0.417595 0.093377 0.588785 Rb\n0.484459 0.740157 0.316926 Rb\n0.570920 0.857894 0.732765 Rb\n0.515541 0.259843 0.816926 Rb\n0.259843 0.515541 0.183074 Rb\n0.093377 0.417595 0.411215 Rb\n0.910230 0.089770 0.250000 Rb\n0.587373 0.399035 0.427459 Rb\n0.142106 0.429080 0.767235 Rb\n0.960455 0.175394 0.606604 Rb\n0.740157 0.484459 0.683074 Rb\n0.582405 0.906623 0.088785 Rb\n0.293330 0.027525 0.956131 Rb\n0.906623 0.582405 0.911215 Rb\n",
"nsites": 26,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5016423955084406,
"density_atomic": 0.010580712127913113,
"volume": 2457.3015205100482,
"volume_molar": 56.91621402412899,
"formula_full": "Rb26",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -23.88002147,
"energy_per_atom": -0.9184623642307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -23.88002147,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.1366515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.216000Z",
"spacegroup": 20
},
{
"id": "mp-1184013",
"created_at": "2022-09-04T14:41:31.293240Z",
"structure_string": "Ga1 Hg3\n1.0\n-2.264290 2.264290 4.993795\n2.264290 -2.264290 4.993795\n2.264290 2.264290 -4.993795\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 10.8876910444002,
"density_atomic": 0.0390575675656652,
"volume": 102.41293171355423,
"volume_molar": 15.418627260582289,
"formula_full": "Ga1 Hg3",
"formula_reduced": "GaHg3",
"formula_anonymous": "AB3",
"energy": -3.67279736,
"energy_per_atom": -0.91819934,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.67279736,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0257462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.438000Z",
"spacegroup": 139
},
{
"id": "mp-1184016",
"created_at": "2022-09-04T14:44:28.226555Z",
"structure_string": "Cs1 Rb3\n1.0\n-3.550546 3.550546 7.697478\n3.550546 -3.550546 7.697478\n3.550546 3.550546 -7.697478\nCs Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Rb"
],
"chemical_system": "Cs-Rb",
"density": 1.6655000157361883,
"density_atomic": 0.01030531464677611,
"volume": 388.1492353318247,
"volume_molar": 58.43723327636534,
"formula_full": "Cs1 Rb3",
"formula_reduced": "CsRb3",
"formula_anonymous": "AB3",
"energy": -3.66789739,
"energy_per_atom": -0.9169743475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.66789739,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.3068188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.345000Z",
"spacegroup": 139
},
{
"id": "mp-1183987",
"created_at": "2022-09-04T14:44:26.490813Z",
"structure_string": "Ga1 Hg3\n1.0\n0.000000 3.690323 3.690323\n3.690323 0.000000 3.690323\n3.690323 3.690323 0.000000\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 11.09347097936096,
"density_atomic": 0.03979576482719768,
"volume": 100.51320831171144,
"volume_molar": 15.132617217308205,
"formula_full": "Ga1 Hg3",
"formula_reduced": "GaHg3",
"formula_anonymous": "AB3",
"energy": -3.66224168,
"energy_per_atom": -0.91556042,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.66224168,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0272248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.639000Z",
"spacegroup": 225
},
{
"id": "mp-1216297",
"created_at": "2022-09-04T14:39:29.291537Z",
"structure_string": "Yb14 Hg51\n1.0\n6.854035 -11.871536 0.000000\n6.854035 11.871536 0.000000\n0.000000 0.000000 10.205075\nYb Hg\n14 51\ndirect\n0.796658 0.991706 0.500000 Yb\n0.195047 0.203342 0.500000 Yb\n0.008294 0.804953 0.500000 Yb\n0.867058 0.338719 0.500000 Yb\n0.471661 0.132942 0.500000 Yb\n0.661281 0.528339 0.500000 Yb\n0.449701 0.389263 0.000000 Yb\n0.939563 0.550299 0.000000 Yb\n0.610737 0.060437 0.000000 Yb\n0.217147 0.951848 0.000000 Yb\n0.734702 0.782853 0.000000 Yb\n0.048152 0.265298 0.000000 Yb\n0.333333 0.666667 0.686952 Yb\n0.333333 0.666667 0.313048 Yb\n0.825174 0.043224 0.852431 Hg\n0.218051 0.174826 0.852431 Hg\n0.956776 0.781949 0.852431 Hg\n0.838342 0.286518 0.853802 Hg\n0.448176 0.161658 0.853802 Hg\n0.713482 0.551824 0.853802 Hg\n0.838342 0.286518 0.146198 Hg\n0.448176 0.161658 0.146198 Hg\n0.713482 0.551824 0.146198 Hg\n0.825174 0.043224 0.147569 Hg\n0.218051 0.174826 0.147569 Hg\n0.956776 0.781949 0.147569 Hg\n0.436497 0.322692 0.657824 Hg\n0.886195 0.563503 0.657824 Hg\n0.677308 0.113805 0.657824 Hg\n0.227763 0.005632 0.659493 Hg\n0.777869 0.772237 0.659493 Hg\n0.994368 0.222131 0.659493 Hg\n0.227763 0.005632 0.340507 Hg\n0.777869 0.772237 0.340507 Hg\n0.994368 0.222131 0.340507 Hg\n0.436497 0.322692 0.342176 Hg\n0.886195 0.563503 0.342176 Hg\n0.677308 0.113805 0.342176 Hg\n0.387592 0.484944 0.500000 Hg\n0.097352 0.612408 0.500000 Hg\n0.515056 0.902648 0.500000 Hg\n0.278887 0.844284 0.500000 Hg\n0.565397 0.721113 0.500000 Hg\n0.155716 0.434603 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.000000 Hg\n0.521701 0.582784 0.773743 Hg\n0.061083 0.478299 0.773743 Hg\n0.417216 0.938917 0.773743 Hg\n0.145534 0.742002 0.783113 Hg\n0.596469 0.854466 0.783113 Hg\n0.257998 0.403531 0.783113 Hg\n0.145534 0.742002 0.216887 Hg\n0.596469 0.854466 0.216887 Hg\n0.257998 0.403531 0.216887 Hg\n0.521701 0.582784 0.226257 Hg\n0.061083 0.478299 0.226257 Hg\n0.417216 0.938917 0.226257 Hg\n0.000000 0.000000 0.667862 Hg\n0.666667 0.333333 0.671048 Hg\n0.666667 0.333333 0.328952 Hg\n0.000000 0.000000 0.332138 Hg\n0.466064 0.684271 0.000000 Hg\n0.218207 0.533936 0.000000 Hg\n0.315729 0.781793 0.000000 Hg\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Yb",
"Hg"
],
"chemical_system": "Hg-Yb",
"density": 12.651183761343859,
"density_atomic": 0.03913937880329335,
"volume": 1660.731518675269,
"volume_molar": 15.386398415432366,
"formula_full": "Yb14 Hg51",
"formula_reduced": "Yb14Hg51",
"formula_anonymous": "A14B51",
"energy": -59.39755749,
"energy_per_atom": -0.9138085767692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -59.39755749,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0027118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.198000Z",
"spacegroup": 174
},
{
"id": "mp-1183963",
"created_at": "2022-09-04T14:43:20.772679Z",
"structure_string": "Cs2 Rb6\n1.0\n5.192263 -8.993264 0.000000\n5.192263 8.993264 0.000000\n0.000000 0.000000 8.292874\nCs Rb\n2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.164453 0.328906 0.250000 Rb\n0.671094 0.835547 0.250000 Rb\n0.164453 0.835547 0.250000 Rb\n0.835547 0.671094 0.750000 Rb\n0.328906 0.164453 0.750000 Rb\n0.835547 0.164453 0.750000 Rb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cs",
"Rb"
],
"chemical_system": "Cs-Rb",
"density": 1.669414896165554,
"density_atomic": 0.010329538047705521,
"volume": 774.4780030871781,
"volume_molar": 58.300194376433765,
"formula_full": "Cs2 Rb6",
"formula_reduced": "CsRb3",
"formula_anonymous": "AB3",
"energy": -7.30391958,
"energy_per_atom": -0.9129899475,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -7.30391958,
"band_gap": 0.0,
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"total_magnetization": 0.52466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.173000Z",
"spacegroup": 194
},
{
"id": "mp-1096688",
"created_at": "2022-09-04T14:48:13.485887Z",
"structure_string": "Ba2 Li1 Tl1\n1.0\n-6.936571 7.176227 10.142471\n6.936571 -7.176227 10.142471\n6.936571 7.176227 -10.142471\nBa Li Tl\n2 1 1\ndirect\n0.000000 0.260079 0.260079 Ba\n0.000000 0.739921 0.739921 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Tl"
],
"chemical_system": "Ba-Li-Tl",
"density": 0.39959606709256545,
"density_atomic": 0.001980684128493344,
"volume": 2019.5042422249824,
"volume_molar": 304.0434703023995,
"formula_full": "Ba2 Li1 Tl1",
"formula_reduced": "Ba2LiTl",
"formula_anonymous": "ABC2",
"energy": -3.64824652,
"energy_per_atom": -0.91206163,
"energy_above_hull": null,
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"band_gap": 0.4025999999999998,
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"is_magnetic": true,
"total_magnetization": 2.0016533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:36.363000Z",
"spacegroup": 71
}
]
}