HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=35",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=33",
"results": [
{
"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,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0257462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.438000Z",
"spacegroup": 139
},
{
"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,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.88002147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1366515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.216000Z",
"spacegroup": 20
},
{
"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,
"formation_energy": null,
"formation_energy_per_atom": null,
"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-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-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-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,
"energy_per_atom": -0.920300165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.68120066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.837184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.065000Z",
"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,
"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,
"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-1184605",
"created_at": "2022-09-04T14:43:16.424270Z",
"structure_string": "Hg3 Cl1\n1.0\n0.000000 3.774666 3.774666\n3.774666 0.000000 3.774666\n3.774666 3.774666 0.000000\nHg Cl\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 9.83727827675686,
"density_atomic": 0.037187279491413615,
"volume": 107.56366302416886,
"volume_molar": 16.194087984818804,
"formula_full": "Hg3 Cl1",
"formula_reduced": "Hg3Cl",
"formula_anonymous": "AB3",
"energy": -3.68240272,
"energy_per_atom": -0.92060068,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.06840272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.339000Z",
"spacegroup": 225
},
{
"id": "mp-1183952",
"created_at": "2022-09-04T14:48:08.312569Z",
"structure_string": "Cs6 Sr2\n1.0\n5.171539 -8.957368 0.000000\n5.171539 8.957368 0.000000\n0.000000 0.000000 8.207572\nCs Sr\n6 2\ndirect\n0.170604 0.341209 0.250000 Cs\n0.658791 0.829396 0.250000 Cs\n0.170604 0.829396 0.250000 Cs\n0.829396 0.658791 0.750000 Cs\n0.341209 0.170604 0.750000 Cs\n0.829396 0.170604 0.750000 Cs\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cs",
"Sr"
],
"chemical_system": "Cs-Sr",
"density": 2.124080203392658,
"density_atomic": 0.010520710471146453,
"volume": 760.404919605038,
"volume_molar": 57.24081825572528,
"formula_full": "Cs6 Sr2",
"formula_reduced": "Cs3Sr",
"formula_anonymous": "AB3",
"energy": -7.37931624,
"energy_per_atom": -0.92241453,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.37931624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.229000Z",
"spacegroup": 194
},
{
"id": "mp-1095980",
"created_at": "2022-09-04T14:40:41.770689Z",
"structure_string": "Ba1 Ca1 Tl2\n1.0\n-6.102037 7.202599 10.178816\n6.102037 -7.202599 10.178816\n6.102037 7.202599 -10.178816\nBa Ca Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243561 0.243561 Tl\n0.000000 0.756439 0.756439 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Tl"
],
"chemical_system": "Ba-Ca-Tl",
"density": 0.5439419355610746,
"density_atomic": 0.002235314643253034,
"volume": 1789.4572525051035,
"volume_molar": 269.4090864647149,
"formula_full": "Ba1 Ca1 Tl2",
"formula_reduced": "BaCaTl2",
"formula_anonymous": "ABC2",
"energy": -3.69003811,
"energy_per_atom": -0.9225095275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.69003811,
"band_gap": 0.0543,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.581000Z",
"spacegroup": 71
},
{
"id": "mp-1096861",
"created_at": "2022-09-04T14:47:04.860892Z",
"structure_string": "Cd1\n1.0\n0.000000 2.265485 2.265485\n2.265485 0.000000 2.265485\n2.265485 2.265485 0.000000\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.026835080186322,
"density_atomic": 0.04300177983194949,
"volume": 23.25485140168592,
"volume_molar": 14.004398849383591,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -0.92288976,
"energy_per_atom": -0.92288976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.92288976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.791000Z",
"spacegroup": 225
},
{
"id": "mp-1096068",
"created_at": "2022-09-04T14:41:17.774100Z",
"structure_string": "Sc1 Zn1 Hg2\n1.0\n-5.591471 6.034579 8.616294\n5.591471 -6.034579 8.616294\n5.591471 6.034579 -8.616294\nSc Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256556 0.256556 Hg\n0.000000 0.743444 0.743444 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Hg"
],
"chemical_system": "Hg-Sc-Zn",
"density": 0.7304311945441582,
"density_atomic": 0.0034395880927538046,
"volume": 1162.9299474628424,
"volume_molar": 175.08319594101604,
"formula_full": "Sc1 Zn1 Hg2",
"formula_reduced": "ScZnHg2",
"formula_anonymous": "ABC2",
"energy": -3.69335982,
"energy_per_atom": -0.923339955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.69335982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8065674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.335000Z",
"spacegroup": 71
}
]
}