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=93",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=91",
"results": [
{
"id": "mp-51",
"created_at": "2022-09-04T14:43:40.601870Z",
"structure_string": "Li1\n1.0\n0.000000 2.159945 2.159945\n2.159945 0.000000 2.159945\n2.159945 2.159945 0.000000\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5718907451312455,
"density_atomic": 0.04961830525445642,
"volume": 20.153852391203667,
"volume_molar": 12.136933595609106,
"formula_full": "Li1",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -1.90603016,
"energy_per_atom": -1.90603016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.90603016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014506,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.843000Z",
"spacegroup": 225
},
{
"id": "mp-555394",
"created_at": "2022-09-04T14:40:10.889310Z",
"structure_string": "Si16 O32\n1.0\n-8.837414 8.860732 8.911577\n8.837414 -8.860732 8.911577\n8.837414 8.860732 -8.911577\nSi O\n16 32\ndirect\n0.772631 0.305223 0.467407 Si\n0.547976 0.000709 0.707022 Si\n0.706313 0.999291 0.547267 Si\n0.547976 0.840954 0.547267 Si\n0.959234 0.499392 0.300224 Si\n0.706313 0.159046 0.707022 Si\n0.791082 0.304879 0.095960 Si\n0.959234 0.659010 0.459842 Si\n0.162184 0.694777 0.467407 Si\n0.714277 0.196686 0.910963 Si\n0.791082 0.695121 0.486203 Si\n0.800832 0.340990 0.300224 Si\n0.714277 0.803314 0.517590 Si\n0.345354 0.804412 0.540942 Si\n0.736529 0.195588 0.540942 Si\n0.800832 0.500608 0.459842 Si\n0.608257 0.771561 0.531120 O\n0.897875 0.423846 0.170338 O\n0.418831 0.772357 0.493898 O\n0.807389 0.788338 0.595727 O\n0.721541 0.075067 0.493898 O\n0.759559 0.922864 0.531120 O\n0.897875 0.727537 0.474029 O\n0.746492 0.272463 0.170338 O\n0.593234 0.917822 0.675411 O\n0.608257 0.077136 0.836696 O\n0.757589 0.082178 0.675411 O\n0.697810 0.709978 0.407788 O\n0.807389 0.211662 0.019051 O\n0.661516 0.213223 0.448292 O\n0.721541 0.227643 0.646474 O\n0.418831 0.924933 0.646474 O\n0.235069 0.786777 0.448292 O\n0.786885 0.272864 0.361412 O\n0.578883 0.917178 0.496061 O\n0.697810 0.290022 0.987832 O\n0.746492 0.576154 0.474029 O\n0.914306 0.582448 0.331858 O\n0.088548 0.574528 0.361412 O\n0.088548 0.727136 0.514021 O\n0.786885 0.425472 0.514021 O\n0.847813 0.287665 0.560148 O\n0.928159 0.582990 0.511149 O\n0.749409 0.417552 0.331858 O\n0.759559 0.228439 0.836696 O\n0.578883 0.082822 0.661705 O\n0.928159 0.417010 0.345169 O\n0.272483 0.712335 0.560148 O\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 0.5719008328503913,
"density_atomic": 0.017196175959659103,
"volume": 2791.3182624209176,
"volume_molar": 35.02023225470288,
"formula_full": "Si16 O32",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -172.36618354,
"energy_per_atom": -3.5909621570833337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.38218354,
"band_gap": 4.0687,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.343000Z",
"spacegroup": 74
},
{
"id": "mp-1365799",
"created_at": "2022-09-04T14:41:25.452081Z",
"structure_string": "Si16 O32\n1.0\n-8.837414 8.860732 8.911577\n8.837414 -8.860732 8.911577\n8.837414 8.860732 -8.911577\nSi O\n16 32\ndirect\n0.591585 0.055223 0.536362 Si\n0.047456 0.750709 0.456502 Si\n0.205793 0.749291 0.296747 Si\n0.047456 0.590954 0.296747 Si\n0.952544 0.249291 0.543498 Si\n0.205793 0.909046 0.456502 Si\n0.962687 0.054879 0.517566 Si\n0.952544 0.409046 0.703253 Si\n0.981138 0.444777 0.536362 Si\n0.037313 0.945121 0.482434 Si\n0.962687 0.445121 0.907809 Si\n0.794207 0.090954 0.543498 Si\n0.037313 0.554879 0.092191 Si\n0.018862 0.555223 0.463638 Si\n0.408415 0.944777 0.463638 Si\n0.794207 0.250709 0.703253 Si\n0.994210 0.521561 0.167073 O\n0.005790 0.172864 0.527351 O\n0.032228 0.522357 0.357295 O\n0.946380 0.538338 0.984718 O\n0.334938 0.825067 0.357295 O\n0.145512 0.672864 0.167073 O\n0.005790 0.478439 0.832927 O\n0.854488 0.021561 0.527351 O\n0.996180 0.667822 0.328358 O\n0.994210 0.827136 0.472649 O\n0.160535 0.832178 0.328358 O\n0.053620 0.461662 0.015282 O\n0.946380 0.961662 0.408042 O\n0.518700 0.963223 0.555476 O\n0.334938 0.977643 0.509871 O\n0.032228 0.674933 0.509871 O\n0.092253 0.536777 0.555476 O\n0.665062 0.022357 0.490129 O\n0.174886 0.667178 0.342064 O\n0.053620 0.038338 0.591958 O\n0.854488 0.327136 0.832927 O\n0.003820 0.332178 0.671642 O\n0.967772 0.325067 0.490129 O\n0.967772 0.477643 0.642705 O\n0.665062 0.174933 0.642705 O\n0.481300 0.036777 0.444524 O\n0.825114 0.332822 0.657936 O\n0.839465 0.167822 0.671642 O\n0.145512 0.978439 0.472649 O\n0.174886 0.832822 0.507708 O\n0.825114 0.167178 0.492292 O\n0.907747 0.463223 0.444524 O\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 0.5719008328503913,
"density_atomic": 0.017196175959659103,
"volume": 2791.3182624209176,
"volume_molar": 35.02023225470288,
"formula_full": "Si16 O32",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -392.4210382600001,
"energy_per_atom": -8.175438297083335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.43703826,
"band_gap": 5.793,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.372000Z",
"spacegroup": 141
},
{
"id": "mp-1096339",
"created_at": "2022-09-04T14:39:58.968097Z",
"structure_string": "Y2 Ag1 Pd1\n1.0\n-5.436166 6.042911 8.662323\n5.436166 -6.042911 8.662323\n5.436166 6.042911 -8.662323\nY Ag Pd\n2 1 1\ndirect\n0.000000 0.229378 0.229378 Y\n0.000000 0.770622 0.770622 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Pd"
],
"chemical_system": "Ag-Pd-Y",
"density": 0.5720217681233898,
"density_atomic": 0.0035142019741536096,
"volume": 1138.238504621919,
"volume_molar": 171.36581233212766,
"formula_full": "Y2 Ag1 Pd1",
"formula_reduced": "Y2AgPd",
"formula_anonymous": "ABC2",
"energy": -13.91719253,
"energy_per_atom": -3.4792981325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.91719253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6808216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.857000Z",
"spacegroup": 71
},
{
"id": "mp-1093778",
"created_at": "2022-09-04T14:41:06.706516Z",
"structure_string": "Y1 Al1 Pd2\n1.0\n-4.827142 5.911042 8.357205\n4.827142 -5.911042 8.357205\n4.827142 5.911042 -8.357205\nY Al Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.247719 0.247719 Pd\n0.000000 0.752281 0.752281 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Y",
"density": 0.5722816499800416,
"density_atomic": 0.004193578960868915,
"volume": 953.8391997205163,
"volume_molar": 143.60384807806753,
"formula_full": "Y1 Al1 Pd2",
"formula_reduced": "YAlPd2",
"formula_anonymous": "ABC2",
"energy": -15.15306718,
"energy_per_atom": -3.788266795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.15306718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1083678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.060000Z",
"spacegroup": 71
},
{
"id": "mp-1097330",
"created_at": "2022-09-04T14:47:20.571978Z",
"structure_string": "Sr1 Tl2 In1\n1.0\n-6.577767 6.721689 10.026176\n6.577767 -6.721689 10.026176\n6.577767 6.721689 -10.026176\nSr Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.273763 0.273763 Tl\n0.000000 0.726237 0.726237 Tl\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"In"
],
"chemical_system": "In-Sr-Tl",
"density": 0.5723787422742197,
"density_atomic": 0.002255837312218072,
"volume": 1773.1775152113983,
"volume_molar": 266.958114726752,
"formula_full": "Sr1 Tl2 In1",
"formula_reduced": "SrTl2In",
"formula_anonymous": "ABC2",
"energy": -4.87765456,
"energy_per_atom": -1.21941364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.87765456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6528628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.851000Z",
"spacegroup": 71
},
{
"id": "mp-1093552",
"created_at": "2022-09-04T14:47:00.838446Z",
"structure_string": "Mg2 Cd1 Pt1\n1.0\n-5.229674 5.918513 8.344034\n5.229674 -5.918513 8.344034\n5.229674 5.918513 -8.344034\nMg Cd Pt\n2 1 1\ndirect\n0.000000 0.268892 0.268892 Mg\n0.000000 0.731108 0.731108 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Pt"
],
"chemical_system": "Cd-Mg-Pt",
"density": 0.572405620485158,
"density_atomic": 0.0038720121532334643,
"volume": 1033.05460874126,
"volume_molar": 155.53000666516485,
"formula_full": "Mg2 Cd1 Pt1",
"formula_reduced": "Mg2CdPt",
"formula_anonymous": "ABC2",
"energy": -5.63971305,
"energy_per_atom": -1.4099282625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.63971305,
"band_gap": 0.0735999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.411000Z",
"spacegroup": 71
},
{
"id": "mp-1095777",
"created_at": "2022-09-04T14:47:08.251000Z",
"structure_string": "Zr2 Ga1 Cu1\n1.0\n-5.360352 5.501070 7.760255\n5.360352 -5.501070 7.760255\n5.360352 5.501070 -7.760255\nZr Ga Cu\n2 1 1\ndirect\n0.000000 0.242983 0.242983 Zr\n0.000000 0.757017 0.757017 Zr\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Zr",
"density": 0.5727572567778455,
"density_atomic": 0.004370021028730955,
"volume": 915.3274031639137,
"volume_molar": 137.80576158345895,
"formula_full": "Zr2 Ga1 Cu1",
"formula_reduced": "Zr2GaCu",
"formula_anonymous": "ABC2",
"energy": -12.45565872,
"energy_per_atom": -3.11391468,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.45565872,
"band_gap": 0.0205000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9999878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.658000Z",
"spacegroup": 71
},
{
"id": "mp-135",
"created_at": "2022-09-04T14:45:03.944801Z",
"structure_string": "Li1\n1.0\n-1.713409 1.713409 1.713409\n1.713409 -1.713409 1.713409\n1.713409 1.713409 -1.713409\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5728329870110183,
"density_atomic": 0.04970005591332286,
"volume": 20.120701709953906,
"volume_molar": 12.116969788731513,
"formula_full": "Li1",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -1.90379596,
"energy_per_atom": -1.90379596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.90379596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.373000Z",
"spacegroup": 229
},
{
"id": "mp-1096243",
"created_at": "2022-09-04T14:45:33.413098Z",
"structure_string": "Na1 Mg1 Hg2\n1.0\n-6.031872 6.173917 8.727031\n6.031872 -6.173917 8.727031\n6.031872 6.173917 -8.727031\nNa Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250697 0.250697 Hg\n0.000000 0.749303 0.749303 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.5728589451302678,
"density_atomic": 0.0030769509820410103,
"volume": 1299.9882101945968,
"volume_molar": 195.7177997033082,
"formula_full": "Na1 Mg1 Hg2",
"formula_reduced": "NaMgHg2",
"formula_anonymous": "ABC2",
"energy": -1.55393485,
"energy_per_atom": -0.3884837125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55393485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.394000Z",
"spacegroup": 71
},
{
"id": "mp-1096187",
"created_at": "2022-09-04T14:46:17.302754Z",
"structure_string": "Ti2 V1 Mo1\n1.0\n-4.783034 5.103175 7.202533\n4.783034 -5.103175 7.202533\n4.783034 5.103175 -7.202533\nTi V Mo\n2 1 1\ndirect\n0.000000 0.275137 0.275137 Ti\n0.000000 0.724863 0.724863 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Mo"
],
"chemical_system": "Mo-Ti-V",
"density": 0.5728995260549873,
"density_atomic": 0.0056881470284177145,
"volume": 703.2167030873478,
"volume_molar": 105.87174926937838,
"formula_full": "Ti2 V1 Mo1",
"formula_reduced": "Ti2VMo",
"formula_anonymous": "ABC2",
"energy": -20.63200474,
"energy_per_atom": -5.158001185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.63200474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.453287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.121000Z",
"spacegroup": 71
},
{
"id": "mp-1018134",
"created_at": "2022-09-04T14:41:05.374532Z",
"structure_string": "Li3\n1.0\n7.474568 -1.531883 0.000000\n7.474568 1.531883 0.000000\n7.160615 0.000000 2.634659\nLi\n3\ndirect\n0.777946 0.777946 0.777946 Li\n0.222054 0.222054 0.222054 Li\n0.000000 0.000000 0.000000 Li\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5730945704730711,
"density_atomic": 0.04972275138125996,
"volume": 60.33455343202653,
"volume_molar": 12.111439115313496,
"formula_full": "Li3",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -5.7267686,
"energy_per_atom": -1.9089228666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.7267686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.064000Z",
"spacegroup": 166
}
]
}