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=density&page=65",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=63",
"results": [
{
"id": "mp-1095961",
"created_at": "2022-09-04T14:45:16.566674Z",
"structure_string": "Na1 In2 Ag1\n1.0\n-5.813494 6.148276 8.687164\n5.813494 -6.148276 8.687164\n5.813494 6.148276 -8.687164\nNa In Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.267882 0.267882 In\n0.000000 0.732118 0.732118 In\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"In",
"Ag"
],
"chemical_system": "Ag-In-Na",
"density": 0.48196833458142996,
"density_atomic": 0.0032205600104902622,
"volume": 1242.0200173171388,
"volume_molar": 186.99048427553618,
"formula_full": "Na1 In2 Ag1",
"formula_reduced": "NaIn2Ag",
"formula_anonymous": "ABC2",
"energy": -5.58798962,
"energy_per_atom": -1.396997405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.58798962,
"band_gap": 0.1055000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.901000Z",
"spacegroup": 71
},
{
"id": "mp-1096412",
"created_at": "2022-09-04T14:40:41.458869Z",
"structure_string": "Sc1 Zn2 Cd1\n1.0\n-5.508934 5.645449 7.975566\n5.508934 -5.645449 7.975566\n5.508934 5.645449 -7.975566\nSc Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250230 0.250230 Zn\n0.000000 0.749770 0.749770 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Cd"
],
"chemical_system": "Cd-Sc-Zn",
"density": 0.48231722767821117,
"density_atomic": 0.004031553514578053,
"volume": 992.1733608486267,
"volume_molar": 149.37519093381758,
"formula_full": "Sc1 Zn2 Cd1",
"formula_reduced": "ScZn2Cd",
"formula_anonymous": "ABC2",
"energy": -4.13688763,
"energy_per_atom": -1.0342219075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.13688763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0140606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096184",
"created_at": "2022-09-04T14:42:06.741053Z",
"structure_string": "Rb2 Hg1 Te1\n1.0\n-6.598444 7.097084 9.167750\n6.598444 -7.097084 9.167750\n6.598444 7.097084 -9.167750\nRb Hg Te\n2 1 1\ndirect\n0.776602 0.000000 0.776602 Rb\n0.223398 0.000000 0.223398 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Hg",
"Te"
],
"chemical_system": "Hg-Rb-Te",
"density": 0.4826304389108661,
"density_atomic": 0.0023292481404970857,
"volume": 1717.2923444499816,
"volume_molar": 258.54440560870484,
"formula_full": "Rb2 Hg1 Te1",
"formula_reduced": "Rb2HgTe",
"formula_anonymous": "ABC2",
"energy": -6.01741029,
"energy_per_atom": -1.5043525725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.59541029,
"band_gap": 0.2839999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.498000Z",
"spacegroup": 71
},
{
"id": "mp-1097120",
"created_at": "2022-09-04T14:39:42.480249Z",
"structure_string": "Li1 Si1 Ag2\n1.0\n-5.092427 5.473000 7.732831\n5.092427 -5.473000 7.732831\n5.092427 5.473000 -7.732831\nLi Si Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Si\n0.000000 0.263657 0.263657 Ag\n0.000000 0.736343 0.736343 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Si",
"Ag"
],
"chemical_system": "Ag-Li-Si",
"density": 0.4830183285505791,
"density_atomic": 0.004639927780699194,
"volume": 862.0823834023635,
"volume_molar": 129.789536489133,
"formula_full": "Li1 Si1 Ag2",
"formula_reduced": "LiSiAg2",
"formula_anonymous": "ABC2",
"energy": -6.89585839,
"energy_per_atom": -1.7239645975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.96685839,
"band_gap": 0.6611000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.7082616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.124000Z",
"spacegroup": 71
},
{
"id": "mp-1093645",
"created_at": "2022-09-04T14:43:34.349379Z",
"structure_string": "Ti2 Al1 W1\n1.0\n-4.912853 6.069733 8.823233\n4.912853 -6.069733 8.823233\n4.912853 6.069733 -8.823233\nTi Al W\n2 1 1\ndirect\n0.000000 0.275623 0.275623 Ti\n0.000000 0.724377 0.724377 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"W"
],
"chemical_system": "Al-Ti-W",
"density": 0.48369006617432114,
"density_atomic": 0.003800746418772544,
"volume": 1052.4248553503355,
"volume_molar": 158.446265456059,
"formula_full": "Ti2 Al1 W1",
"formula_reduced": "Ti2AlW",
"formula_anonymous": "ABC2",
"energy": -18.12276124,
"energy_per_atom": -4.53069031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.12276124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8338243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.910000Z",
"spacegroup": 71
},
{
"id": "mp-1096439",
"created_at": "2022-09-04T14:40:43.432249Z",
"structure_string": "Li1 Zn2 Ru1\n1.0\n-5.108648 5.307352 7.549837\n5.108648 -5.307352 7.549837\n5.108648 5.307352 -7.549837\nLi Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256336 0.256336 Zn\n0.000000 0.743664 0.743664 Zn\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Ru"
],
"chemical_system": "Li-Ru-Zn",
"density": 0.4843448865138712,
"density_atomic": 0.0048851573033103,
"volume": 818.8067961065458,
"volume_molar": 123.27424453495595,
"formula_full": "Li1 Zn2 Ru1",
"formula_reduced": "LiZn2Ru",
"formula_anonymous": "ABC2",
"energy": -6.57950841,
"energy_per_atom": -1.6448771025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.57950841,
"band_gap": 0.0463999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9998604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.901000Z",
"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-1096385",
"created_at": "2022-09-04T14:45:03.364920Z",
"structure_string": "Na2 Hg1 Te1\n1.0\n-5.993927 6.307993 8.475472\n5.993927 -6.307993 8.475472\n5.993927 6.307993 -8.475472\nNa Hg Te\n2 1 1\ndirect\n0.217386 0.000000 0.217386 Na\n0.782614 0.000000 0.782614 Na\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Te"
],
"chemical_system": "Hg-Na-Te",
"density": 0.4847200551838743,
"density_atomic": 0.0031205665899528444,
"volume": 1281.8185046518893,
"volume_molar": 192.9822865946598,
"formula_full": "Na2 Hg1 Te1",
"formula_reduced": "Na2HgTe",
"formula_anonymous": "ABC2",
"energy": -5.92613593,
"energy_per_atom": -1.4815339825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.50413593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2353866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.931000Z",
"spacegroup": 71
},
{
"id": "mp-1095911",
"created_at": "2022-09-04T14:47:31.709841Z",
"structure_string": "Y1 Sc1 In2\n1.0\n-5.811596 6.100635 8.766218\n5.811596 -6.100635 8.766218\n5.811596 6.100635 -8.766218\nY Sc In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.245328 0.245328 In\n0.000000 0.754672 0.754672 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"In"
],
"chemical_system": "In-Sc-Y",
"density": 0.4855211159647987,
"density_atomic": 0.0032174905146213585,
"volume": 1243.2049082422016,
"volume_molar": 187.16887377393553,
"formula_full": "Y1 Sc1 In2",
"formula_reduced": "YScIn2",
"formula_anonymous": "ABC2",
"energy": -10.37482229,
"energy_per_atom": -2.5937055725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.37482229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9995762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.305000Z",
"spacegroup": 71
},
{
"id": "mp-1210481",
"created_at": "2022-09-04T14:43:12.876047Z",
"structure_string": "U2 Ge1 S2\n1.0\n8.682045 0.000000 0.000000\n0.000000 8.682045 0.000000\n0.000000 0.000000 27.793482\nU Ge S\n2 1 2\ndirect\n0.500000 0.500000 0.286260 U\n0.500000 0.500000 0.713740 U\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.629342 S\n0.500000 0.500000 0.370658 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ge",
"S"
],
"chemical_system": "Ge-S-U",
"density": 0.485736283625425,
"density_atomic": 0.0023866183761390514,
"volume": 2095.0144564330153,
"volume_molar": 252.32943901749016,
"formula_full": "U2 Ge1 S2",
"formula_reduced": "U2GeS2",
"formula_anonymous": "AB2C2",
"energy": -24.40892155,
"energy_per_atom": -4.88178431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.40292155,
"band_gap": 0.0083999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.1876114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.734000Z",
"spacegroup": 123
},
{
"id": "mp-1097651",
"created_at": "2022-09-04T14:41:48.450510Z",
"structure_string": "Be2 Cu1 Ni1\n1.0\n-4.253157 4.461417 6.306844\n4.253157 -4.461417 6.306844\n4.253157 4.461417 -6.306844\nBe Cu Ni\n2 1 1\ndirect\n0.000000 0.247572 0.247572 Be\n0.000000 0.752428 0.752428 Be\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Ni"
],
"chemical_system": "Be-Cu-Ni",
"density": 0.486562096536651,
"density_atomic": 0.008356100966567578,
"volume": 478.6921575031032,
"volume_molar": 72.06878882979446,
"formula_full": "Be2 Cu1 Ni1",
"formula_reduced": "Be2CuNi",
"formula_anonymous": "ABC2",
"energy": -8.39834054,
"energy_per_atom": -2.099585135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.39834054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0025498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.477000Z",
"spacegroup": 71
},
{
"id": "mp-1096097",
"created_at": "2022-09-04T14:41:05.135168Z",
"structure_string": "Sr2 Li1 Ir1\n1.0\n-10.645140 0.000000 -6.145974\n-10.570973 -0.009410 6.017514\n-7.067602 9.899620 -0.050503\nSr Li Ir\n2 1 1\ndirect\n0.706479 0.000000 1.000000 Sr\n0.293521 1.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Ir"
],
"chemical_system": "Ir-Li-Sr",
"density": 0.4865740437129673,
"density_atomic": 0.0031305908497529394,
"volume": 1277.7140776207382,
"volume_molar": 192.36435066164128,
"formula_full": "Sr2 Li1 Ir1",
"formula_reduced": "Sr2LiIr",
"formula_anonymous": "ABC2",
"energy": -8.09414117,
"energy_per_atom": -2.0235352925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.09414117,
"band_gap": 0.0003999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.774000Z",
"spacegroup": 71
}
]
}