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=-updated_at&page=1726",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=1724",
"results": [
{
"id": "mp-1025102",
"created_at": "2022-09-04T14:47:08.836228Z",
"structure_string": "Ce1 Al3 Pt2\n1.0\n2.733491 -4.734545 0.000000\n2.733491 4.734545 0.000000\n0.000000 0.000000 4.232217\nCe Al Pt\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Pt"
],
"chemical_system": "Al-Ce-Pt",
"density": 9.265288691487655,
"density_atomic": 0.054771852553167466,
"volume": 109.5453179016677,
"volume_molar": 10.994955400046512,
"formula_full": "Ce1 Al3 Pt2",
"formula_reduced": "CeAl3Pt2",
"formula_anonymous": "AB2C3",
"energy": -35.15029273,
"energy_per_atom": -5.858382121666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.15029273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3458306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.594000Z",
"spacegroup": 191
},
{
"id": "mp-768710",
"created_at": "2022-09-04T14:47:08.337634Z",
"structure_string": "Rb12 Fe4 O12\n1.0\n12.501079 0.000000 0.000000\n0.000000 5.042712 0.000000\n0.000000 2.600255 11.291224\nRb Fe O\n12 4 12\ndirect\n0.415131 0.895240 0.638801 Rb\n0.989526 0.729954 0.623330 Rb\n0.234543 0.508758 0.962909 Rb\n0.084869 0.895240 0.138801 Rb\n0.510474 0.729954 0.123330 Rb\n0.734543 0.491242 0.537091 Rb\n0.265457 0.508758 0.462909 Rb\n0.489526 0.270046 0.876670 Rb\n0.915131 0.104760 0.861199 Rb\n0.765457 0.491242 0.037091 Rb\n0.010474 0.270046 0.376670 Rb\n0.584869 0.104760 0.361199 Rb\n0.682400 0.805420 0.757040 Fe\n0.817600 0.805420 0.257040 Fe\n0.182400 0.194580 0.742960 Fe\n0.317600 0.194580 0.242960 Fe\n0.636680 0.951522 0.607137 O\n0.588558 0.766955 0.882672 O\n0.863320 0.951522 0.107137 O\n0.814959 0.641897 0.783347 O\n0.911442 0.766955 0.382672 O\n0.685041 0.641897 0.283347 O\n0.314959 0.358103 0.716653 O\n0.088558 0.233045 0.617328 O\n0.185041 0.358103 0.216653 O\n0.136680 0.048478 0.892863 O\n0.411442 0.233045 0.117328 O\n0.363320 0.048478 0.392863 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 3.3616793869019,
"density_atomic": 0.03933737202637546,
"volume": 711.7913210172295,
"volume_molar": 15.308955453257509,
"formula_full": "Rb12 Fe4 O12",
"formula_reduced": "Rb3FeO3",
"formula_anonymous": "AB3C3",
"energy": -146.39199829,
"energy_per_atom": -5.228285653214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.12399829,
"band_gap": 0.7393000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9981438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.592000Z",
"spacegroup": 14
},
{
"id": "mp-1093845",
"created_at": "2022-09-04T14:47:05.947170Z",
"structure_string": "Ti1 Be1 Pt2\n1.0\n-4.456843 5.381845 7.613082\n4.456843 -5.381845 7.613082\n4.456843 5.381845 -7.613082\nTi Be Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.248315 0.248315 Pt\n0.000000 0.751685 0.751685 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Pt"
],
"chemical_system": "Be-Pt-Ti",
"density": 1.016303541347734,
"density_atomic": 0.005476221060709057,
"volume": 730.430703153916,
"volume_molar": 109.96891274546647,
"formula_full": "Ti1 Be1 Pt2",
"formula_reduced": "TiBePt2",
"formula_anonymous": "ABC2",
"energy": -16.10542067,
"energy_per_atom": -4.0263551675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.10542067,
"band_gap": 0.2260999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5880875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.592000Z",
"spacegroup": 71
},
{
"id": "mp-1217292",
"created_at": "2022-09-04T14:46:51.807768Z",
"structure_string": "Ti3 Te1 Pb4 O13\n1.0\n6.442676 -3.689175 0.000000\n6.442676 3.689175 0.000000\n4.330198 0.000000 6.030545\nTi Te Pb O\n3 1 4 13\ndirect\n0.998236 0.500429 0.500429 Ti\n0.500429 0.500429 0.998236 Ti\n0.500429 0.998236 0.500429 Ti\n0.500152 0.500152 0.500152 Te\n0.492982 0.002583 0.002583 Pb\n0.002583 0.002583 0.492982 Pb\n0.002583 0.492982 0.002583 Pb\n0.001810 0.001810 0.001810 Pb\n0.181792 0.565571 0.181792 O\n0.570028 0.186061 0.570028 O\n0.181792 0.181792 0.565571 O\n0.570028 0.570028 0.186061 O\n0.565571 0.181792 0.181792 O\n0.186061 0.570028 0.570028 O\n0.815201 0.438154 0.815201 O\n0.432786 0.812252 0.432786 O\n0.815201 0.815201 0.438154 O\n0.432786 0.432786 0.812252 O\n0.438154 0.815201 0.815201 O\n0.812252 0.432786 0.432786 O\n0.874145 0.874145 0.874145 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ti",
"Te",
"Pb",
"O"
],
"chemical_system": "O-Pb-Te-Ti",
"density": 7.576567158251668,
"density_atomic": 0.07325498575431452,
"volume": 286.6699076351012,
"volume_molar": 8.220793025879896,
"formula_full": "Ti3 Te1 Pb4 O13",
"formula_reduced": "Ti3TePb4O13",
"formula_anonymous": "AB3C4D13",
"energy": -156.33091339,
"energy_per_atom": -7.444329209047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.39991339,
"band_gap": 1.5694,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.591000Z",
"spacegroup": 160
},
{
"id": "mp-781081",
"created_at": "2022-09-04T14:47:14.435868Z",
"structure_string": "V2 O2 F6\n1.0\n5.400268 0.000000 0.000000\n0.000000 5.520821 0.000000\n0.000000 2.715047 4.879284\nV O F\n2 2 6\ndirect\n0.051530 0.275946 0.705245 V\n0.551530 0.724054 0.294755 V\n0.219973 0.492149 0.439272 O\n0.719973 0.507851 0.560728 O\n0.896864 0.060155 0.600906 F\n0.278995 0.018754 0.904346 F\n0.396864 0.939845 0.399094 F\n0.552639 0.575121 0.077854 F\n0.052639 0.424879 0.922146 F\n0.778995 0.981246 0.095654 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.8294490363985783,
"density_atomic": 0.06874243685444453,
"volume": 145.47054858084292,
"volume_molar": 8.760441199882543,
"formula_full": "V2 O2 F6",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy": -66.44945375,
"energy_per_atom": -6.644945375000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.90345375,
"band_gap": 2.7929,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.591000Z",
"spacegroup": 4
},
{
"id": "mp-756409",
"created_at": "2022-09-04T14:47:04.338718Z",
"structure_string": "Li8 Ti12 Ni4 O32\n1.0\n-2.985882 5.171617 0.000147\n2.992753 -1.719626 9.754643\n8.971927 5.179862 0.005667\nLi Ti Ni O\n8 12 4 32\ndirect\n0.030207 0.060407 0.150973 Li\n0.280205 0.560404 0.400981 Li\n0.530208 0.060408 0.650979 Li\n0.780211 0.560417 0.900970 Li\n0.219795 0.439596 0.099019 Li\n0.469793 0.939594 0.349026 Li\n0.719789 0.439583 0.599031 Li\n0.969793 0.939592 0.849021 Li\n0.374997 0.249993 0.375006 Ti\n0.624993 0.750004 0.625010 Ti\n0.875004 0.249994 0.874991 Ti\n0.125006 0.750005 0.124994 Ti\n0.875002 0.249992 0.375006 Ti\n0.125011 0.750005 0.625010 Ti\n0.374990 0.249997 0.874988 Ti\n0.625000 0.750005 0.124995 Ti\n0.000005 0.000007 0.500006 Ti\n0.250000 0.500001 0.750000 Ti\n0.499997 0.999993 0.999994 Ti\n0.750000 0.500001 0.250000 Ti\n0.625007 0.250013 0.124978 Ni\n0.874994 0.749989 0.375024 Ni\n0.125006 0.250014 0.624986 Ni\n0.374993 0.749991 0.875015 Ni\n0.065167 0.130351 0.325905 O\n0.315170 0.630352 0.575903 O\n0.565165 0.130352 0.825896 O\n0.815166 0.630350 0.075897 O\n0.184833 0.369648 0.924095 O\n0.434833 0.869650 0.174096 O\n0.684833 0.369649 0.424103 O\n0.934831 0.869647 0.674105 O\n0.177617 0.355248 0.431583 O\n0.427622 0.855255 0.681569 O\n0.677616 0.355245 0.931570 O\n0.927621 0.855251 0.181563 O\n0.291757 0.126978 0.545720 O\n0.541779 0.626988 0.795705 O\n0.791754 0.126979 0.045709 O\n0.041772 0.626983 0.295699 O\n0.835213 0.126978 0.545718 O\n0.085199 0.626987 0.795705 O\n0.335216 0.126979 0.045709 O\n0.585201 0.626983 0.295698 O\n0.414801 0.373013 0.704295 O\n0.664786 0.873018 0.954282 O\n0.914798 0.373018 0.204301 O\n0.164783 0.873021 0.454293 O\n0.958222 0.373012 0.704292 O\n0.208239 0.873019 0.954281 O\n0.458227 0.373017 0.204301 O\n0.708246 0.873022 0.454293 O\n0.072382 0.144746 0.818429 O\n0.322381 0.644752 0.068419 O\n0.572381 0.144749 0.318436 O\n0.822384 0.644755 0.568429 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 3.7884436159203307,
"density_atomic": 0.09280358116123397,
"volume": 603.4249896316759,
"volume_molar": 6.489125402970522,
"formula_full": "Li8 Ti12 Ni4 O32",
"formula_reduced": "Li2Ti3NiO8",
"formula_anonymous": "AB2C3D8",
"energy": -456.28860477,
"energy_per_atom": -8.148010799464286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -424.14060477,
"band_gap": 1.4515999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.589000Z",
"spacegroup": 166
},
{
"id": "mp-1186195",
"created_at": "2022-09-04T14:47:12.095394Z",
"structure_string": "Na1 Np3\n1.0\n-2.332097 2.332097 4.323652\n2.332097 -2.332097 4.323652\n2.332097 2.332097 -4.323652\nNa Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Np"
],
"chemical_system": "Na-Np",
"density": 12.95791601278703,
"density_atomic": 0.04252614817167031,
"volume": 94.05977667793304,
"volume_molar": 14.16103037521695,
"formula_full": "Na1 Np3",
"formula_reduced": "NaNp3",
"formula_anonymous": "AB3",
"energy": -35.80313267,
"energy_per_atom": -8.9507831675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.80313267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.6314594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.584000Z",
"spacegroup": 139
},
{
"id": "mp-1187433",
"created_at": "2022-09-04T14:47:20.297201Z",
"structure_string": "Ti2 Mn1 Tc1\n1.0\n0.000000 3.058637 3.058637\n3.058637 0.000000 3.058637\n3.058637 3.058637 0.000000\nTi Mn Tc\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Tc"
],
"chemical_system": "Mn-Tc-Ti",
"density": 7.215430604629317,
"density_atomic": 0.06989501173741641,
"volume": 57.22869058277456,
"volume_molar": 8.615980754998871,
"formula_full": "Ti2 Mn1 Tc1",
"formula_reduced": "Ti2MnTc",
"formula_anonymous": "ABC2",
"energy": -36.73509732,
"energy_per_atom": -9.18377433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.73509732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3722664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.583000Z",
"spacegroup": 225
},
{
"id": "mp-1180135",
"created_at": "2022-09-04T14:47:03.262382Z",
"structure_string": "Mn4 Cd4 F20\n1.0\n6.409326 0.000000 0.000000\n0.000000 7.200461 -3.507934\n0.000000 0.024917 9.042787\nMn Cd F\n4 4 20\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.541613 0.248689 0.999413 Cd\n0.041613 0.751311 0.500587 Cd\n0.958387 0.248689 0.499413 Cd\n0.458387 0.751311 0.000587 Cd\n0.704904 0.947909 0.978934 F\n0.795096 0.947909 0.478934 F\n0.605966 0.251687 0.502674 F\n0.894034 0.251687 0.002674 F\n0.703238 0.548748 0.006895 F\n0.295096 0.052091 0.021066 F\n0.796762 0.548748 0.506895 F\n0.030731 0.898380 0.772629 F\n0.510642 0.386406 0.271923 F\n0.969269 0.101620 0.227371 F\n0.203238 0.451252 0.493105 F\n0.394034 0.748313 0.497326 F\n0.469269 0.898380 0.272629 F\n0.530731 0.101620 0.727371 F\n0.489358 0.613594 0.728077 F\n0.204904 0.052091 0.521066 F\n0.105966 0.748313 0.997326 F\n0.989358 0.386406 0.771923 F\n0.296762 0.451252 0.993105 F\n0.010642 0.613594 0.228077 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"F"
],
"chemical_system": "Cd-F-Mn",
"density": 4.169824573693882,
"density_atomic": 0.06700395777990176,
"volume": 417.8857626884657,
"volume_molar": 8.987738873249631,
"formula_full": "Mn4 Cd4 F20",
"formula_reduced": "MnCdF5",
"formula_anonymous": "ABC5",
"energy": -152.47562431,
"energy_per_atom": -5.445558011071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.56362431,
"band_gap": 0.8755000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.00257,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.577000Z",
"spacegroup": 14
},
{
"id": "mp-571103",
"created_at": "2022-09-04T14:47:05.830336Z",
"structure_string": "In5 Ag1 Se8\n1.0\n5.900508 0.000000 0.000000\n0.000000 5.900508 0.000000\n0.000000 0.000000 12.048645\nIn Ag Se\n5 1 8\ndirect\n0.500000 0.000000 0.254435 In\n0.500000 0.000000 0.745565 In\n0.000000 0.500000 0.745565 In\n0.000000 0.500000 0.254435 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Ag\n0.773096 0.773096 0.112728 Se\n0.272833 0.727167 0.382098 Se\n0.727167 0.727167 0.617902 Se\n0.727167 0.272833 0.382098 Se\n0.773096 0.226904 0.887272 Se\n0.272833 0.272833 0.617902 Se\n0.226904 0.226904 0.112728 Se\n0.226904 0.773096 0.887272 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"In",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se",
"density": 5.200053967774661,
"density_atomic": 0.03337421197868672,
"volume": 419.48555995690964,
"volume_molar": 18.044293491770926,
"formula_full": "In5 Ag1 Se8",
"formula_reduced": "In5AgSe8",
"formula_anonymous": "AB5C8",
"energy": -55.20104264,
"energy_per_atom": -3.942931617142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.42504264,
"band_gap": 0.2577000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.93e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.574000Z",
"spacegroup": 111
},
{
"id": "mp-1076076",
"created_at": "2022-09-04T14:47:09.734198Z",
"structure_string": "La7 Sm1 Co6 Cu2 O24\n1.0\n5.428822 -5.438692 0.000000\n5.428822 5.438692 0.000000\n0.000000 0.000000 7.630780\nLa Sm Co Cu O\n7 1 6 2 24\ndirect\n0.000000 0.500000 0.750259 La\n0.500000 0.500000 0.750169 La\n0.000000 0.500000 0.249555 La\n0.500000 0.500000 0.248789 La\n0.500000 0.000000 0.750259 La\n0.000000 0.000000 0.249741 La\n0.500000 0.000000 0.249555 La\n0.000000 0.000000 0.752496 Sm\n0.750285 0.750285 0.999652 Co\n0.249483 0.750517 0.999588 Co\n0.750517 0.750517 0.500594 Co\n0.750517 0.249483 0.999588 Co\n0.249715 0.249715 0.999652 Co\n0.249483 0.249483 0.500594 Co\n0.249552 0.750448 0.500401 Cu\n0.750448 0.249552 0.500401 Cu\n0.749601 0.502278 0.998874 O\n0.250399 0.497722 0.998874 O\n0.751085 0.504504 0.500158 O\n0.248915 0.495496 0.500158 O\n0.753678 0.997660 0.997760 O\n0.246322 0.002340 0.997760 O\n0.752149 0.995510 0.502936 O\n0.247851 0.004490 0.502936 O\n0.753188 0.753188 0.749177 O\n0.247389 0.752611 0.753790 O\n0.750035 0.750035 0.250809 O\n0.249397 0.750603 0.246121 O\n0.752611 0.247389 0.753790 O\n0.246812 0.246812 0.749177 O\n0.750603 0.249397 0.246121 O\n0.249965 0.249965 0.250809 O\n0.997660 0.753678 0.997760 O\n0.502278 0.749601 0.998874 O\n0.995510 0.752149 0.502936 O\n0.504504 0.751085 0.500158 O\n0.002340 0.246322 0.997760 O\n0.497722 0.250399 0.998874 O\n0.004490 0.247851 0.502936 O\n0.495496 0.248915 0.500158 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"La",
"Sm",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-La-O-Sm",
"density": 7.323689735969405,
"density_atomic": 0.08876893219705896,
"volume": 450.6081013929923,
"volume_molar": 6.784063535462379,
"formula_full": "La7 Sm1 Co6 Cu2 O24",
"formula_reduced": "La7SmCo6(CuO12)2",
"formula_anonymous": "AB2C6D7E24",
"energy": -308.30484259,
"energy_per_atom": -7.7076210647500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -281.98884259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.572000Z",
"spacegroup": 35
},
{
"id": "mp-641911",
"created_at": "2022-09-04T14:47:11.451040Z",
"structure_string": "Ce4 In16 Pd8\n1.0\n4.529143 0.000000 0.000000\n0.000000 7.325654 0.000000\n0.000000 0.000000 18.334355\nCe In Pd\n4 16 8\ndirect\n0.250000 0.540107 0.858035 Ce\n0.750000 0.040107 0.641965 Ce\n0.750000 0.459893 0.141965 Ce\n0.250000 0.959893 0.358035 Ce\n0.750000 0.253736 0.308759 In\n0.750000 0.511567 0.570626 In\n0.750000 0.655080 0.313991 In\n0.250000 0.011567 0.929374 In\n0.750000 0.353842 0.966550 In\n0.250000 0.753736 0.191241 In\n0.250000 0.646158 0.033450 In\n0.250000 0.853842 0.533450 In\n0.750000 0.246264 0.808759 In\n0.250000 0.488433 0.429374 In\n0.250000 0.155080 0.186009 In\n0.750000 0.844920 0.813991 In\n0.250000 0.746264 0.691241 In\n0.750000 0.988433 0.070626 In\n0.250000 0.344920 0.686009 In\n0.750000 0.146158 0.466550 In\n0.250000 0.238639 0.542846 Pd\n0.750000 0.548746 0.722389 Pd\n0.750000 0.761361 0.457154 Pd\n0.250000 0.261361 0.042846 Pd\n0.750000 0.738639 0.957154 Pd\n0.250000 0.451254 0.277611 Pd\n0.750000 0.951254 0.222389 Pd\n0.250000 0.048746 0.777611 Pd\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ce",
"In",
"Pd"
],
"chemical_system": "Ce-In-Pd",
"density": 8.868679776042292,
"density_atomic": 0.04602883253175727,
"volume": 608.3143642776861,
"volume_molar": 13.083409742893362,
"formula_full": "Ce4 In16 Pd8",
"formula_reduced": "Ce(In2Pd)2",
"formula_anonymous": "AB2C4",
"energy": -123.77927853,
"energy_per_atom": -4.420688518928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.77927853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8938884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.568000Z",
"spacegroup": 62
}
]
}