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=-volume_molar&page=1764",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=1762",
"results": [
{
"id": "mp-1220534",
"created_at": "2022-09-04T14:40:11.219425Z",
"structure_string": "Nd2 Sn4 Ru1\n1.0\n0.000000 0.000000 4.698802\n4.720005 0.000000 0.000000\n2.360002 8.344035 0.000000\nNd Sn Ru\n2 4 1\ndirect\n0.250000 0.899120 0.201759 Nd\n0.750000 0.099907 0.800187 Nd\n0.250000 0.542999 0.914001 Sn\n0.750000 0.421507 0.156986 Sn\n0.250000 0.264420 0.471161 Sn\n0.750000 0.759599 0.480802 Sn\n0.250000 0.697448 0.605104 Ru\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Ru"
],
"chemical_system": "Nd-Ru-Sn",
"density": 7.756309321013584,
"density_atomic": 0.037826165577005355,
"volume": 185.0570866282921,
"volume_molar": 15.920568918729842,
"formula_full": "Nd2 Sn4 Ru1",
"formula_reduced": "Nd2Sn4Ru",
"formula_anonymous": "AB2C4",
"energy": -38.59002891,
"energy_per_atom": -5.512861272857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.59002891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.314000Z",
"spacegroup": 38
},
{
"id": "mp-1183566",
"created_at": "2022-09-04T14:42:28.181596Z",
"structure_string": "Ca1 Tb1 Hg2\n1.0\n0.000000 3.753292 3.753292\n3.753292 0.000000 3.753292\n3.753292 3.753292 0.000000\nCa Tb Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tb",
"Hg"
],
"chemical_system": "Ca-Hg-Tb",
"density": 9.424666378755893,
"density_atomic": 0.037826219316827996,
"volume": 105.74675640979255,
"volume_molar": 15.920546300330074,
"formula_full": "Ca1 Tb1 Hg2",
"formula_reduced": "CaTbHg2",
"formula_anonymous": "ABC2",
"energy": -9.38809948,
"energy_per_atom": -2.34702487,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.38809948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.948000Z",
"spacegroup": 225
},
{
"id": "mp-685613",
"created_at": "2022-09-04T14:47:32.921477Z",
"structure_string": "Ba8 P4 Pd8\n1.0\n6.883524 0.000000 0.000000\n0.000000 7.846143 0.000000\n0.000000 0.000000 9.789546\nBa P Pd\n8 4 8\ndirect\n0.994981 0.239635 0.558844 Ba\n0.494981 0.260365 0.441156 Ba\n0.505019 0.739635 0.558844 Ba\n0.005019 0.760365 0.441156 Ba\n0.005019 0.760365 0.058844 Ba\n0.505019 0.739635 0.941156 Ba\n0.494981 0.260365 0.058844 Ba\n0.994981 0.239635 0.941156 Ba\n0.842350 0.911445 0.750000 P\n0.657650 0.411445 0.750000 P\n0.342350 0.588555 0.250000 P\n0.157650 0.088555 0.250000 P\n0.195172 0.954150 0.750000 Pd\n0.304828 0.454150 0.750000 Pd\n0.062380 0.394718 0.250000 Pd\n0.695172 0.545850 0.250000 Pd\n0.437620 0.894718 0.250000 Pd\n0.804828 0.045850 0.250000 Pd\n0.562380 0.105282 0.750000 Pd\n0.937620 0.605282 0.750000 Pd\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"P",
"Pd"
],
"chemical_system": "Ba-P-Pd",
"density": 6.513302439189949,
"density_atomic": 0.03782686889103839,
"volume": 528.7247024756581,
"volume_molar": 15.920272907987666,
"formula_full": "Ba8 P4 Pd8",
"formula_reduced": "Ba2PPd2",
"formula_anonymous": "AB2C2",
"energy": -92.33388739999998,
"energy_per_atom": -4.616694369999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.33388739999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.248000Z",
"spacegroup": 62
},
{
"id": "mp-505747",
"created_at": "2022-09-04T14:47:32.357545Z",
"structure_string": "Tl2 In10 S12\n1.0\n3.984420 0.000000 0.000000\n0.000000 8.941116 0.000000\n0.000000 1.542160 17.809511\nTl In S\n2 10 12\ndirect\n0.750000 0.375248 0.215519 Tl\n0.250000 0.624752 0.784481 Tl\n0.750000 0.657509 0.544386 In\n0.250000 0.342491 0.455614 In\n0.750000 0.765917 0.314684 In\n0.250000 0.234083 0.685316 In\n0.750000 0.034502 0.383350 In\n0.250000 0.965498 0.616650 In\n0.750000 0.113522 0.885858 In\n0.250000 0.886478 0.114142 In\n0.750000 0.304610 0.004484 In\n0.250000 0.695390 0.995516 In\n0.750000 0.797673 0.667594 S\n0.250000 0.202327 0.332406 S\n0.750000 0.163153 0.504964 S\n0.250000 0.836847 0.495036 S\n0.750000 0.305914 0.765108 S\n0.250000 0.694086 0.234892 S\n0.750000 0.594719 0.925961 S\n0.250000 0.405281 0.074039 S\n0.750000 0.533595 0.413627 S\n0.250000 0.466405 0.586373 S\n0.750000 0.052042 0.131822 S\n0.250000 0.947958 0.868178 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.081926057492044,
"density_atomic": 0.037827044108934865,
"volume": 634.4667040566123,
"volume_molar": 15.920199164009095,
"formula_full": "Tl2 In10 S12",
"formula_reduced": "TlIn5S6",
"formula_anonymous": "AB5C6",
"energy": -100.21787834,
"energy_per_atom": -4.175744930833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.18187834,
"band_gap": 1.0073,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003336,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.188000Z",
"spacegroup": 11
},
{
"id": "mp-1229256",
"created_at": "2022-09-04T14:40:53.233083Z",
"structure_string": "Ag32 Te20 As3\n1.0\n6.992935 -12.112118 0.000000\n6.992935 12.112118 0.000000\n0.000000 0.000000 8.583220\nAg Te As\n32 20 3\ndirect\n0.878637 0.121363 0.000000 Ag\n0.878637 0.757274 0.000000 Ag\n0.242726 0.121363 0.000000 Ag\n0.121363 0.878637 0.000000 Ag\n0.757274 0.878637 0.000000 Ag\n0.121363 0.242726 0.000000 Ag\n0.539178 0.665234 0.500000 Ag\n0.334766 0.873944 0.500000 Ag\n0.126056 0.460822 0.500000 Ag\n0.665234 0.539178 0.500000 Ag\n0.873944 0.334766 0.500000 Ag\n0.460822 0.126056 0.500000 Ag\n0.460822 0.334766 0.500000 Ag\n0.665234 0.126056 0.500000 Ag\n0.873944 0.539178 0.500000 Ag\n0.334766 0.460822 0.500000 Ag\n0.126056 0.665234 0.500000 Ag\n0.539178 0.873944 0.500000 Ag\n0.761284 0.238716 0.801076 Ag\n0.761284 0.522568 0.801076 Ag\n0.477432 0.238716 0.801076 Ag\n0.238716 0.761284 0.801076 Ag\n0.522568 0.761284 0.801076 Ag\n0.238716 0.477432 0.801076 Ag\n0.238716 0.761284 0.198924 Ag\n0.238716 0.477432 0.198924 Ag\n0.522568 0.761284 0.198924 Ag\n0.761284 0.238716 0.198924 Ag\n0.477432 0.238716 0.198924 Ag\n0.761284 0.522568 0.198924 Ag\n0.000000 0.000000 0.843160 Ag\n0.000000 0.000000 0.156840 Ag\n0.666667 0.333333 0.000000 Te\n0.333333 0.666667 0.000000 Te\n0.803696 0.803696 0.500000 Te\n0.196304 0.000000 0.500000 Te\n0.000000 0.196304 0.500000 Te\n0.196304 0.196304 0.500000 Te\n0.803696 0.000000 0.500000 Te\n0.000000 0.803696 0.500000 Te\n0.651031 0.651031 0.786504 Te\n0.348969 0.000000 0.786504 Te\n0.000000 0.348969 0.786504 Te\n0.348969 0.348969 0.786504 Te\n0.651031 0.000000 0.786504 Te\n0.000000 0.651031 0.786504 Te\n0.348969 0.348969 0.213496 Te\n0.651031 0.000000 0.213496 Te\n0.000000 0.651031 0.213496 Te\n0.651031 0.651031 0.213496 Te\n0.348969 0.000000 0.213496 Te\n0.000000 0.348969 0.213496 Te\n0.500000 0.500000 0.000000 As\n0.500000 0.000000 0.000000 As\n0.000000 0.500000 0.000000 As\n",
"nsites": 55,
"nelements": 3,
"elements": [
"Ag",
"Te",
"As"
],
"chemical_system": "Ag-As-Te",
"density": 7.113380380907173,
"density_atomic": 0.03782708409342563,
"volume": 1453.984659884451,
"volume_molar": 15.920182335827073,
"formula_full": "Ag32 Te20 As3",
"formula_reduced": "Ag32Te20As3",
"formula_anonymous": "A3B20C32",
"energy": -162.56367041,
"energy_per_atom": -2.955703098363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.12367041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6469321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.595000Z",
"spacegroup": 191
},
{
"id": "mp-1187615",
"created_at": "2022-09-04T14:45:14.588129Z",
"structure_string": "Yb1 Ho1 Cd2\n1.0\n0.000000 3.753259 3.753259\n3.753259 0.000000 3.753259\n3.753259 3.753259 0.000000\nYb Ho Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ho\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho-Yb",
"density": 8.837748939878903,
"density_atomic": 0.03782721707068353,
"volume": 105.7439671685507,
"volume_molar": 15.920126370245775,
"formula_full": "Yb1 Ho1 Cd2",
"formula_reduced": "YbHoCd2",
"formula_anonymous": "ABC2",
"energy": -9.38725548,
"energy_per_atom": -2.34681387,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.38725548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.640000Z",
"spacegroup": 225
},
{
"id": "mp-1101801",
"created_at": "2022-09-04T14:47:01.496455Z",
"structure_string": "Ba2 Y2 Cu2 Se6\n1.0\n2.095801 -7.072599 0.000000\n2.095801 7.072599 0.000000\n0.000000 0.000000 10.700693\nBa Y Cu Se\n2 2 2 6\ndirect\n0.252536 0.747464 0.250000 Ba\n0.747464 0.252536 0.750000 Ba\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.532992 0.467008 0.250000 Cu\n0.467008 0.532992 0.750000 Cu\n0.633953 0.366047 0.439483 Se\n0.366047 0.633953 0.560517 Se\n0.633953 0.366047 0.060517 Se\n0.366047 0.633953 0.939483 Se\n0.931419 0.068581 0.250000 Se\n0.068581 0.931419 0.750000 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"Se"
],
"chemical_system": "Ba-Cu-Se-Y",
"density": 5.513628504190058,
"density_atomic": 0.037827728855659014,
"volume": 317.2276095609373,
"volume_molar": 15.919910981119052,
"formula_full": "Ba2 Y2 Cu2 Se6",
"formula_reduced": "BaYCuSe3",
"formula_anonymous": "ABCD3",
"energy": -67.7472258,
"energy_per_atom": -5.645602149999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.9152258,
"band_gap": 0.9653,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002072,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.895000Z",
"spacegroup": 63
},
{
"id": "mp-675363",
"created_at": "2022-09-04T14:44:15.648012Z",
"structure_string": "Nd24 Si10 Se56\n1.0\n5.307559 -9.192961 0.000000\n5.307559 9.192961 0.000000\n0.000000 0.000000 24.380823\nNd Si Se\n24 10 56\ndirect\n0.792334 0.107759 0.428696 Nd\n0.798971 0.115559 0.189023 Nd\n0.792462 0.096093 0.671830 Nd\n0.798932 0.105985 0.927335 Nd\n0.884441 0.683412 0.189023 Nd\n0.892241 0.684575 0.428696 Nd\n0.903907 0.696369 0.671830 Nd\n0.894015 0.692947 0.927335 Nd\n0.316588 0.201029 0.189023 Nd\n0.315425 0.207666 0.428696 Nd\n0.303631 0.207538 0.671830 Nd\n0.307053 0.201068 0.927335 Nd\n0.035011 0.471221 0.061296 Nd\n0.019458 0.463668 0.307912 Nd\n0.010922 0.453206 0.544963 Nd\n0.027355 0.465043 0.803460 Nd\n0.436210 0.964989 0.061296 Nd\n0.444210 0.980542 0.307912 Nd\n0.442283 0.989078 0.544963 Nd\n0.437688 0.972645 0.803460 Nd\n0.528779 0.563790 0.061296 Nd\n0.536332 0.555790 0.307912 Nd\n0.546794 0.557717 0.544963 Nd\n0.534957 0.562312 0.803460 Nd\n0.000000 0.000000 0.076258 Si\n0.000000 0.000000 0.327171 Si\n0.000000 0.000000 0.572832 Si\n0.000000 0.000000 0.821789 Si\n0.333333 0.666667 0.205311 Si\n0.333333 0.666667 0.450193 Si\n0.333333 0.666667 0.698062 Si\n0.333333 0.666667 0.952774 Si\n0.666667 0.333333 0.734300 Si\n0.666667 0.333333 0.985988 Si\n0.753391 0.194017 0.037648 Se\n0.761161 0.172208 0.300864 Se\n0.753480 0.185058 0.792829 Se\n0.755833 0.163306 0.552106 Se\n0.772116 0.855123 0.364325 Se\n0.771617 0.859558 0.112554 Se\n0.771237 0.848230 0.611121 Se\n0.772118 0.854676 0.859877 Se\n0.087941 0.228383 0.112554 Se\n0.083007 0.227884 0.364325 Se\n0.082558 0.227882 0.859877 Se\n0.076993 0.228763 0.611121 Se\n0.000000 0.000000 0.233645 Se\n0.000000 0.000000 0.481111 Se\n0.000000 0.000000 0.729883 Se\n0.000000 0.000000 0.982042 Se\n0.805983 0.559374 0.037648 Se\n0.827792 0.588953 0.300864 Se\n0.836694 0.592527 0.552106 Se\n0.814942 0.568421 0.792829 Se\n0.144877 0.916993 0.364325 Se\n0.140442 0.912059 0.112554 Se\n0.145324 0.917442 0.859877 Se\n0.151770 0.923007 0.611121 Se\n0.924689 0.431206 0.171455 Se\n0.922246 0.424434 0.425836 Se\n0.898276 0.413130 0.683449 Se\n0.910699 0.422307 0.925458 Se\n0.440626 0.246609 0.037648 Se\n0.411047 0.238839 0.300864 Se\n0.407473 0.244167 0.552106 Se\n0.431579 0.246520 0.792829 Se\n0.189487 0.752116 0.240379 Se\n0.187353 0.748340 0.487818 Se\n0.188144 0.749045 0.737111 Se\n0.187401 0.750303 0.988660 Se\n0.506517 0.075311 0.171455 Se\n0.502188 0.077754 0.425836 Se\n0.514854 0.101724 0.683449 Se\n0.511608 0.089301 0.925458 Se\n0.333333 0.666667 0.110806 Se\n0.333333 0.666667 0.357724 Se\n0.333333 0.666667 0.859439 Se\n0.333333 0.666667 0.606704 Se\n0.251660 0.439013 0.487818 Se\n0.250955 0.439098 0.737111 Se\n0.247884 0.437371 0.240379 Se\n0.249697 0.437098 0.988660 Se\n0.562629 0.810513 0.240379 Se\n0.560987 0.812647 0.487818 Se\n0.560902 0.811856 0.737111 Se\n0.562902 0.812599 0.988660 Se\n0.568794 0.493483 0.171455 Se\n0.577693 0.488392 0.925458 Se\n0.575566 0.497812 0.425836 Se\n0.586870 0.485146 0.683449 Se\n",
"nsites": 90,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Se"
],
"chemical_system": "Nd-Se-Si",
"density": 5.6983089157715785,
"density_atomic": 0.037828045603392285,
"volume": 2379.187149756664,
"volume_molar": 15.919777678019813,
"formula_full": "Nd24 Si10 Se56",
"formula_reduced": "Nd12Si5Se28",
"formula_anonymous": "A5B12C28",
"energy": -515.3568293,
"energy_per_atom": -5.726186992222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -488.92482930000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0642642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.228000Z",
"spacegroup": 143
},
{
"id": "mp-698644",
"created_at": "2022-09-04T14:39:37.085317Z",
"structure_string": "Tm16 Pb8 S32\n1.0\n13.377381 0.000000 0.000000\n0.000000 10.259640 0.000000\n0.000000 4.584221 10.786223\nTm Pb S\n16 8 32\ndirect\n0.297129 0.947202 0.581277 Tm\n0.738267 0.812895 0.882608 Tm\n0.604311 0.819674 0.177568 Tm\n0.995549 0.677917 0.515852 Tm\n0.629630 0.710196 0.597278 Tm\n0.096108 0.535789 0.843086 Tm\n0.188092 0.692123 0.140433 Tm\n0.772753 0.426265 0.456680 Tm\n0.272753 0.573735 0.543320 Tm\n0.688092 0.307877 0.859567 Tm\n0.596108 0.464211 0.156914 Tm\n0.129630 0.289804 0.402722 Tm\n0.495549 0.322083 0.484148 Tm\n0.104311 0.180326 0.822432 Tm\n0.238267 0.187105 0.117392 Tm\n0.797129 0.052798 0.418723 Tm\n0.989269 0.947971 0.663094 Pb\n0.924723 0.001558 0.074877 Pb\n0.432884 0.567518 0.834168 Pb\n0.400249 0.606541 0.288306 Pb\n0.900249 0.393459 0.711694 Pb\n0.932884 0.432482 0.165832 Pb\n0.424723 0.998442 0.925123 Pb\n0.489269 0.052029 0.336906 Pb\n0.726398 0.920314 0.644178 S\n0.330550 0.817376 0.824363 S\n0.261059 0.633245 0.949632 S\n0.055271 0.741528 0.938196 S\n0.196447 0.985425 0.024290 S\n0.421808 0.923331 0.189398 S\n0.428879 0.739213 0.557742 S\n0.671040 0.875467 0.368594 S\n0.159461 0.737430 0.615627 S\n0.949805 0.922406 0.369500 S\n0.922255 0.651186 0.738545 S\n0.657479 0.577672 0.835872 S\n0.556531 0.731584 0.997495 S\n0.913300 0.732635 0.021972 S\n0.745083 0.609262 0.235135 S\n0.119872 0.569797 0.387601 S\n0.619872 0.430203 0.612399 S\n0.245083 0.390738 0.764865 S\n0.413300 0.267365 0.978028 S\n0.056531 0.268416 0.002505 S\n0.157479 0.422328 0.164128 S\n0.422255 0.348814 0.261455 S\n0.449805 0.077594 0.630500 S\n0.659461 0.262570 0.384373 S\n0.171040 0.124533 0.631406 S\n0.928879 0.260787 0.442258 S\n0.921808 0.076669 0.810602 S\n0.696447 0.014575 0.975710 S\n0.555271 0.258472 0.061804 S\n0.761059 0.366755 0.050368 S\n0.830550 0.182624 0.175637 S\n0.226398 0.079686 0.355822 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Tm",
"Pb",
"S"
],
"chemical_system": "Pb-S-Tm",
"density": 6.042176629973366,
"density_atomic": 0.03782817710641056,
"volume": 1480.3779691120762,
"volume_molar": 15.919722335706886,
"formula_full": "Tm16 Pb8 S32",
"formula_reduced": "Tm2PbS4",
"formula_anonymous": "AB2C4",
"energy": -319.17972087,
"energy_per_atom": -5.699637872678571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -303.08372087,
"band_gap": 0.5497000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.148000Z",
"spacegroup": 4
},
{
"id": "mp-182",
"created_at": "2022-09-04T14:41:57.162227Z",
"structure_string": "Sr1 Ga2\n1.0\n2.178442 -3.773172 0.000000\n2.178442 3.773172 0.000000\n0.000000 0.000000 4.824023\nSr Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"Ga"
],
"chemical_system": "Ga-Sr",
"density": 4.754548008729985,
"density_atomic": 0.037829385335511896,
"volume": 79.30342968548804,
"volume_molar": 15.919213877225717,
"formula_full": "Sr1 Ga2",
"formula_reduced": "SrGa2",
"formula_anonymous": "AB2",
"energy": -9.24607358,
"energy_per_atom": -3.0820245266666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.24607358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.854000Z",
"spacegroup": 191
},
{
"id": "mp-7774",
"created_at": "2022-09-04T14:48:31.001500Z",
"structure_string": "Na4 Sb2 Au2\n1.0\n3.797492 -4.695866 0.000000\n3.797492 4.695866 0.000000\n0.000000 0.000000 5.929431\nNa Sb Au\n4 2 2\ndirect\n0.015517 0.656409 0.250000 Na\n0.984483 0.343591 0.750000 Na\n0.656409 0.015517 0.250000 Na\n0.343591 0.984483 0.750000 Na\n0.798126 0.798126 0.750000 Sb\n0.201874 0.201874 0.250000 Sb\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Sb",
"Au"
],
"chemical_system": "Au-Na-Sb",
"density": 5.727519164517034,
"density_atomic": 0.03782983164938018,
"volume": 211.47331751689345,
"volume_molar": 15.919026063386326,
"formula_full": "Na4 Sb2 Au2",
"formula_reduced": "Na2SbAu",
"formula_anonymous": "ABC2",
"energy": -24.17032216,
"energy_per_atom": -3.02129027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.78632216,
"band_gap": 0.3617999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009513,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:55.815000Z",
"spacegroup": 63
},
{
"id": "mp-1183775",
"created_at": "2022-09-04T14:42:39.886699Z",
"structure_string": "Ce3 Hf1\n1.0\n4.728680 0.000000 0.000000\n0.000000 4.728680 0.000000\n0.000000 0.000000 4.728680\nCe Hf\n3 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Hf"
],
"chemical_system": "Ce-Hf",
"density": 9.404564137567272,
"density_atomic": 0.03783033744849203,
"volume": 105.73524503835601,
"volume_molar": 15.918813222851789,
"formula_full": "Ce3 Hf1",
"formula_reduced": "Ce3Hf",
"formula_anonymous": "AB3",
"energy": -27.24805182,
"energy_per_atom": -6.812012955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.24805182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0951386,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.015000Z",
"spacegroup": 221
}
]
}