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&page=12156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12154",
"results": [
{
"id": "mp-1096679",
"created_at": "2022-09-04T14:39:12.664342Z",
"structure_string": "Mg2 In1 Ga1\n1.0\n-5.440436 5.841419 8.607575\n5.440436 -5.841419 8.607575\n5.440436 5.841419 -8.607575\nMg In Ga\n2 1 1\ndirect\n0.000000 0.243469 0.243469 Mg\n0.000000 0.756531 0.756531 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"In",
"Ga"
],
"chemical_system": "Ga-In-Mg",
"density": 0.35382906799296165,
"density_atomic": 0.0036556711370220804,
"volume": 1094.190327869156,
"volume_molar": 164.7342043164652,
"formula_full": "Mg2 In1 Ga1",
"formula_reduced": "Mg2InGa",
"formula_anonymous": "ABC2",
"energy": -3.70612858,
"energy_per_atom": -0.926532145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.70612858,
"band_gap": 0.0060999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0019914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.639000Z",
"spacegroup": 71
},
{
"id": "mp-1097649",
"created_at": "2022-09-04T14:46:10.741728Z",
"structure_string": "Y1 Zn1 Hg2\n1.0\n-5.841188 6.227087 8.804754\n5.841188 -6.227087 8.804754\n5.841188 6.227087 -8.804754\nY Zn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.236080 0.236080 Hg\n0.000000 0.763920 0.763920 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Hg"
],
"chemical_system": "Hg-Y-Zn",
"density": 0.7200552128874107,
"density_atomic": 0.0031224583619295677,
"volume": 1281.0419023580328,
"volume_molar": 192.8653663864562,
"formula_full": "Y1 Zn1 Hg2",
"formula_reduced": "YZnHg2",
"formula_anonymous": "ABC2",
"energy": -3.69378582,
"energy_per_atom": -0.923446455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.69378582,
"band_gap": 0.1437999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.053000Z",
"spacegroup": 71
},
{
"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
},
{
"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-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-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-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-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-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-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,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3068188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.345000Z",
"spacegroup": 139
},
{
"id": "mp-22692",
"created_at": "2022-09-04T14:45:20.247751Z",
"structure_string": "Pb1\n1.0\n-2.002209 2.002209 2.002209\n2.002209 -2.002209 2.002209\n2.002209 2.002209 -2.002209\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.716442290650697,
"density_atomic": 0.031146681439680295,
"volume": 32.10614915546086,
"volume_molar": 19.334774947574047,
"formula_full": "Pb1",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -3.66510887,
"energy_per_atom": -3.66510887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.66510887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004736,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.844000Z",
"spacegroup": 229
},
{
"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,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.66224168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0272248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.639000Z",
"spacegroup": 225
}
]
}