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=formation_energy_per_atom&page=67",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=65",
"results": [
{
"id": "mp-1223704",
"created_at": "2022-09-04T14:41:48.166197Z",
"structure_string": "K2 Al2 Cl4 O2\n1.0\n5.801157 0.000000 0.000000\n0.000000 6.383081 0.000000\n0.000000 0.637735 6.772663\nK Al Cl O\n2 2 4 2\ndirect\n0.506356 0.600904 0.783058 K\n0.006356 0.399096 0.216942 K\n0.496049 0.969016 0.374215 Al\n0.996049 0.030984 0.625785 Al\n0.003931 0.843179 0.914937 Cl\n0.503931 0.156821 0.085063 Cl\n0.003489 0.367620 0.702097 Cl\n0.503489 0.632380 0.297903 Cl\n0.240175 0.999722 0.491311 O\n0.740175 0.000278 0.508689 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Al",
"Cl",
"O"
],
"chemical_system": "Al-Cl-K-O",
"density": 2.0259288098868216,
"density_atomic": 0.03987452834908323,
"volume": 250.78666542346488,
"volume_molar": 15.102725999111307,
"formula_full": "K2 Al2 Cl4 O2",
"formula_reduced": "KAlCl2O",
"formula_anonymous": "ABCD2",
"energy": -52.07511425,
"energy_per_atom": -5.207511425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.24511425,
"band_gap": 4.302,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.120000Z",
"spacegroup": 4
},
{
"id": "mp-6294",
"created_at": "2022-09-04T14:41:47.258058Z",
"structure_string": "Sr4 Er2 Ru2 O12\n1.0\n5.847735 0.000000 0.000000\n0.000000 5.796700 0.000000\n0.000000 5.751193 8.217788\nSr Er Ru O\n4 2 2 12\ndirect\n0.034258 0.741890 0.250541 Sr\n0.534258 0.258110 0.249459 Sr\n0.465742 0.741890 0.750541 Sr\n0.965742 0.258110 0.749459 Sr\n0.000000 0.000000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.017889 0.807224 0.764449 O\n0.517889 0.192776 0.735551 O\n0.982111 0.192776 0.235551 O\n0.482111 0.807224 0.264449 O\n0.201894 0.266476 0.962935 O\n0.701894 0.733524 0.537065 O\n0.798106 0.733524 0.037065 O\n0.298106 0.266476 0.462935 O\n0.271857 0.660454 0.038954 O\n0.771857 0.339546 0.461046 O\n0.728143 0.339546 0.961046 O\n0.228143 0.660454 0.538954 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Er",
"Ru",
"O"
],
"chemical_system": "Er-O-Ru-Sr",
"density": 6.432795481529091,
"density_atomic": 0.07179704236677818,
"volume": 278.56300678556045,
"volume_molar": 8.387728186957402,
"formula_full": "Sr4 Er2 Ru2 O12",
"formula_reduced": "Sr2ErRuO6",
"formula_anonymous": "ABC2D6",
"energy": -151.37910229,
"energy_per_atom": -7.5689551145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.13510229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9993859,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.774000Z",
"spacegroup": 14
},
{
"id": "mp-758832",
"created_at": "2022-09-04T14:41:47.265303Z",
"structure_string": "Co6 C6 O21\n1.0\n4.260154 -7.378803 0.000000\n4.260154 7.378803 0.000000\n0.000000 0.000000 8.248766\nCo C O\n6 6 21\ndirect\n0.000000 0.000000 0.284419 Co\n0.000000 0.000000 0.715581 Co\n0.666667 0.333333 0.824541 Co\n0.666667 0.333333 0.258996 Co\n0.333333 0.666667 0.175459 Co\n0.333333 0.666667 0.741004 Co\n0.336895 0.338987 0.266243 C\n0.002092 0.663105 0.266243 C\n0.661013 0.997908 0.266243 C\n0.997908 0.661013 0.733757 C\n0.338987 0.336895 0.733757 C\n0.663105 0.002092 0.733757 C\n0.000000 0.000000 0.500000 O\n0.236435 0.170000 0.779974 O\n0.424063 0.261870 0.324120 O\n0.510322 0.415064 0.739958 O\n0.666667 0.333333 0.040794 O\n0.837807 0.575937 0.324120 O\n0.584936 0.095257 0.739958 O\n0.933565 0.763565 0.779974 O\n0.066435 0.830000 0.220026 O\n0.904743 0.489678 0.739958 O\n0.738130 0.162193 0.324120 O\n0.830000 0.066435 0.779974 O\n0.162193 0.738130 0.675880 O\n0.095257 0.584936 0.260042 O\n0.333333 0.666667 0.959206 O\n0.261870 0.424063 0.675880 O\n0.489678 0.904743 0.260042 O\n0.170000 0.236435 0.220026 O\n0.415064 0.510322 0.260042 O\n0.575937 0.837807 0.675880 O\n0.763565 0.933565 0.220026 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Co",
"C",
"O"
],
"chemical_system": "C-Co-O",
"density": 2.4387921541544464,
"density_atomic": 0.06363319742703667,
"volume": 518.5972312304215,
"volume_molar": 9.463834921866262,
"formula_full": "Co6 C6 O21",
"formula_reduced": "Co2C2O7",
"formula_anonymous": "A2B2C7",
"energy": -248.98246916,
"energy_per_atom": -7.544923307878788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.72746916,
"band_gap": 0.4769999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9993568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.222000Z",
"spacegroup": 150
},
{
"id": "mp-1444506",
"created_at": "2022-09-04T14:41:47.266953Z",
"structure_string": "Li3 Mn2 Co2 O8\n1.0\n5.794801 0.000000 0.000000\n-2.733899 5.126284 0.000000\n-0.098516 -3.324135 4.818008\nLi Mn Co O\n3 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.768899 0.793291 0.234610 O\n0.773476 0.270995 0.243529 O\n0.784534 0.762405 0.777078 O\n0.771418 0.245654 0.788960 O\n0.228582 0.754345 0.211040 O\n0.215466 0.237595 0.222922 O\n0.226524 0.729005 0.756471 O\n0.231101 0.206709 0.765390 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.368932763332953,
"density_atomic": 0.10480513292383223,
"volume": 143.1227610855791,
"volume_molar": 5.746036088114718,
"formula_full": "Li3 Mn2 Co2 O8",
"formula_reduced": "Li3Mn2(CoO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -65.9376586,
"energy_per_atom": -4.395843906666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.8296586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9444843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.429000Z",
"spacegroup": 2
},
{
"id": "mp-28716",
"created_at": "2022-09-04T14:41:47.269219Z",
"structure_string": "Na4 Cr2 Cl8\n1.0\n11.628278 0.000000 0.000000\n0.000000 4.038488 0.000000\n0.000000 0.466806 7.001076\nNa Cr Cl\n4 2 8\ndirect\n0.680326 0.516761 0.093939 Na\n0.180326 0.483239 0.406061 Na\n0.819674 0.516761 0.593939 Na\n0.319674 0.483239 0.906061 Na\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.953028 0.566807 0.240217 Cl\n0.453028 0.433193 0.259783 Cl\n0.806514 0.008080 0.884633 Cl\n0.306514 0.991920 0.615367 Cl\n0.193486 0.991920 0.115367 Cl\n0.693486 0.008080 0.384633 Cl\n0.046972 0.433193 0.759783 Cl\n0.546972 0.566807 0.740217 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Na",
"density": 2.4221826500540984,
"density_atomic": 0.042582292691925344,
"volume": 328.7751578170601,
"volume_molar": 14.142359134039646,
"formula_full": "Na4 Cr2 Cl8",
"formula_reduced": "Na2CrCl4",
"formula_anonymous": "AB2C4",
"energy": -64.23507182,
"energy_per_atom": -4.588219415714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.32307182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9985456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.707000Z",
"spacegroup": 14
},
{
"id": "mp-6013",
"created_at": "2022-09-04T14:41:47.274788Z",
"structure_string": "K2 Ta2 Cu4 Se8\n1.0\n2.862796 -9.634348 0.000000\n2.862796 9.634348 0.000000\n0.000000 0.000000 7.815333\nK Ta Cu Se\n2 2 4 8\ndirect\n0.447455 0.079231 0.250000 K\n0.079231 0.447455 0.750000 K\n0.608481 0.391826 0.750000 Ta\n0.391826 0.608481 0.250000 Ta\n0.106605 0.893177 0.750000 Cu\n0.893177 0.106605 0.250000 Cu\n0.515994 0.515994 0.500000 Cu\n0.515994 0.515994 0.000000 Cu\n0.256608 0.250530 0.750000 Se\n0.250530 0.256608 0.250000 Se\n0.462081 0.041859 0.750000 Se\n0.041859 0.462081 0.250000 Se\n0.640155 0.854524 0.995320 Se\n0.854524 0.640155 0.004680 Se\n0.640155 0.854524 0.504680 Se\n0.854524 0.640155 0.495320 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ta",
"Cu",
"Se"
],
"chemical_system": "Cu-K-Se-Ta",
"density": 5.107261724801062,
"density_atomic": 0.03711331677979655,
"volume": 431.1121017539977,
"volume_molar": 16.226361000637606,
"formula_full": "K2 Ta2 Cu4 Se8",
"formula_reduced": "KTa(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -85.85713298,
"energy_per_atom": -5.36607081125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.08113298,
"band_gap": 1.6646,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.752000Z",
"spacegroup": 40
},
{
"id": "mp-1190182",
"created_at": "2022-09-04T14:41:47.280048Z",
"structure_string": "Nd2 Fe15 Co2\n1.0\n4.279233 2.470616 4.150257\n-4.279233 2.470616 4.150257\n0.000000 -4.941232 4.150257\nNd Fe Co\n2 15 2\ndirect\n0.658202 0.658202 0.658202 Nd\n0.341798 0.341798 0.341798 Nd\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.290335 0.709665 0.000000 Fe\n0.709665 0.000000 0.290335 Fe\n0.000000 0.290335 0.709665 Fe\n0.290335 0.000000 0.709665 Fe\n0.000000 0.709665 0.290335 Fe\n0.709665 0.290335 0.000000 Fe\n0.341137 0.341137 0.846144 Fe\n0.341137 0.846144 0.341137 Fe\n0.846144 0.341137 0.341137 Fe\n0.658863 0.658863 0.153856 Fe\n0.658863 0.153856 0.658863 Fe\n0.153856 0.658863 0.658863 Fe\n0.906306 0.906306 0.906306 Co\n0.093694 0.093694 0.093694 Co\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Nd",
"density": 7.846589212698171,
"density_atomic": 0.0721699120691434,
"volume": 263.2676063370672,
"volume_molar": 8.344392541632034,
"formula_full": "Nd2 Fe15 Co2",
"formula_reduced": "Nd2Fe15Co2",
"formula_anonymous": "A2B2C15",
"energy": -149.89269252,
"energy_per_atom": -7.88908908,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.89269252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.2472095,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.235000Z",
"spacegroup": 166
},
{
"id": "mp-24235",
"created_at": "2022-09-04T14:41:47.294623Z",
"structure_string": "H24 C4 S4 N16\n1.0\n15.712386 0.000000 0.000000\n0.000000 4.773957 0.000000\n0.000000 3.897139 6.227495\nH C S N\n24 4 4 16\ndirect\n0.600379 0.521007 0.549915 H\n0.100379 0.478993 0.950085 H\n0.399621 0.478993 0.450085 H\n0.899621 0.521007 0.049915 H\n0.543884 0.169613 0.669638 H\n0.043884 0.830387 0.830362 H\n0.456116 0.830387 0.330362 H\n0.956116 0.169613 0.169638 H\n0.524417 0.447648 0.862245 H\n0.024417 0.552352 0.637755 H\n0.475583 0.552352 0.137755 H\n0.975583 0.447648 0.362245 H\n0.727058 0.556274 0.283310 H\n0.795546 0.982930 0.402486 H\n0.272942 0.443726 0.716690 H\n0.772942 0.556274 0.783310 H\n0.805587 0.826437 0.161985 H\n0.305587 0.173563 0.338015 H\n0.194413 0.173563 0.838015 H\n0.694413 0.826437 0.661985 H\n0.704454 0.982930 0.902486 H\n0.204454 0.017070 0.597514 H\n0.295546 0.017070 0.097514 H\n0.227058 0.443726 0.216690 H\n0.875144 0.156191 0.544274 C\n0.124856 0.843809 0.455726 C\n0.375144 0.843809 0.955726 C\n0.624856 0.156191 0.044274 C\n0.594423 0.161762 0.265746 S\n0.094423 0.838238 0.234254 S\n0.405577 0.838238 0.734254 S\n0.905577 0.161762 0.765746 S\n0.078279 0.675513 0.637979 N\n0.094922 0.710400 0.813455 N\n0.405078 0.710400 0.313455 N\n0.905078 0.289600 0.186545 N\n0.578279 0.324487 0.862021 N\n0.594922 0.289600 0.686545 N\n0.421721 0.675513 0.137979 N\n0.921721 0.324487 0.362021 N\n0.806528 0.995379 0.536770 N\n0.244539 0.200928 0.281784 N\n0.744539 0.799072 0.218216 N\n0.755461 0.799072 0.718216 N\n0.693472 0.995379 0.036770 N\n0.193472 0.004621 0.463230 N\n0.306528 0.004621 0.963230 N\n0.255461 0.200928 0.781784 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5093697086355164,
"density_atomic": 0.10275600406093993,
"volume": 467.12598877953036,
"volume_molar": 5.860621785592734,
"formula_full": "H24 C4 S4 N16",
"formula_reduced": "H6CSN4",
"formula_anonymous": "ABC4D6",
"energy": -277.68172046,
"energy_per_atom": -5.785035842916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -269.89372046,
"band_gap": 3.4076,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001749,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.806000Z",
"spacegroup": 14
},
{
"id": "mp-985287",
"created_at": "2022-09-04T14:41:47.293946Z",
"structure_string": "Ag2 Au6\n1.0\n2.931441 -5.077404 0.000000\n2.931441 5.077404 0.000000\n0.000000 0.000000 4.856092\nAg Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.167198 0.334397 0.250000 Au\n0.665603 0.832802 0.250000 Au\n0.167198 0.832802 0.250000 Au\n0.832802 0.665603 0.750000 Au\n0.334397 0.167198 0.750000 Au\n0.832802 0.167198 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 16.053593559977756,
"density_atomic": 0.05534140831995884,
"volume": 144.55721751328844,
"volume_molar": 10.881798896737003,
"formula_full": "Ag2 Au6",
"formula_reduced": "AgAu3",
"formula_anonymous": "AB3",
"energy": -25.56199105,
"energy_per_atom": -3.19524888125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.56199105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.199000Z",
"spacegroup": 194
},
{
"id": "mp-698690",
"created_at": "2022-09-04T14:41:47.274417Z",
"structure_string": "Na4 Ca4 Ga4 Si8 O28\n1.0\n7.265403 0.000000 0.000000\n0.000000 9.574270 0.000000\n0.000000 0.000000 10.822844\nNa Ca Ga Si O\n4 4 4 8 28\ndirect\n0.357792 0.983901 0.339072 Na\n0.642208 0.483901 0.160928 Na\n0.857792 0.516099 0.660928 Na\n0.142208 0.016099 0.839072 Na\n0.322499 0.608340 0.751186 Ca\n0.677501 0.108340 0.748814 Ca\n0.822499 0.891660 0.248814 Ca\n0.177501 0.391660 0.251186 Ca\n0.787812 0.642020 0.945920 Ga\n0.712188 0.357980 0.445920 Ga\n0.287812 0.857980 0.054080 Ga\n0.212188 0.142020 0.554080 Ga\n0.010371 0.336024 0.895004 Si\n0.952877 0.140279 0.108616 Si\n0.989629 0.836024 0.604996 Si\n0.047123 0.640279 0.391384 Si\n0.452877 0.359721 0.891384 Si\n0.510371 0.163976 0.104996 Si\n0.547123 0.859721 0.608616 Si\n0.489629 0.663976 0.395004 Si\n0.506768 0.207107 0.953588 O\n0.517818 0.506020 0.947081 O\n0.437776 0.297732 0.179964 O\n0.460865 0.951760 0.829600 O\n0.543647 0.325300 0.750396 O\n0.769645 0.871276 0.637968 O\n0.592496 0.518135 0.368741 O\n0.230355 0.371276 0.862032 O\n0.407504 0.018135 0.131259 O\n0.562224 0.797732 0.320036 O\n0.539135 0.451760 0.670400 O\n0.482182 0.006020 0.552919 O\n0.456353 0.825300 0.749604 O\n0.493232 0.707107 0.546412 O\n0.006768 0.292893 0.046412 O\n0.017818 0.993980 0.052919 O\n0.043647 0.174700 0.249604 O\n0.960865 0.548240 0.170400 O\n0.937776 0.202268 0.820036 O\n0.092496 0.981865 0.631259 O\n0.269645 0.628724 0.362032 O\n0.907504 0.481865 0.868741 O\n0.730355 0.128724 0.137968 O\n0.956353 0.674700 0.250396 O\n0.982182 0.493980 0.447081 O\n0.039135 0.048240 0.329600 O\n0.062224 0.702268 0.679964 O\n0.993232 0.792893 0.453588 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Ga",
"Si",
"O"
],
"chemical_system": "Ca-Ga-Na-O-Si",
"density": 2.6552632287516067,
"density_atomic": 0.06375796679448853,
"volume": 752.8470936772296,
"volume_molar": 9.445314935169131,
"formula_full": "Na4 Ca4 Ga4 Si8 O28",
"formula_reduced": "NaCaGaSi2O7",
"formula_anonymous": "ABCD2E7",
"energy": -320.72060867,
"energy_per_atom": -6.6816793472916665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.70060867,
"band_gap": 3.1211,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.089000Z",
"spacegroup": 19
},
{
"id": "mp-21118",
"created_at": "2022-09-04T14:41:47.287405Z",
"structure_string": "Sr1 Mn2 Ge2\n1.0\n-2.040892 2.040892 5.764516\n2.040892 -2.040892 5.764516\n2.040892 2.040892 -5.764516\nSr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.633763 0.633763 0.000000 Ge\n0.366237 0.366237 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sr",
"density": 5.9264787440552,
"density_atomic": 0.0520603540640512,
"volume": 96.04237408467047,
"volume_molar": 11.567613913249232,
"formula_full": "Sr1 Mn2 Ge2",
"formula_reduced": "Sr(MnGe)2",
"formula_anonymous": "AB2C2",
"energy": -30.74084353,
"energy_per_atom": -6.148168706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.74084353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.383458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.889000Z",
"spacegroup": 139
},
{
"id": "mp-1211840",
"created_at": "2022-09-04T14:41:47.313131Z",
"structure_string": "La2 In12 Ni14\n1.0\n-4.040880 4.694231 6.292342\n4.040880 -4.694231 6.292342\n4.040880 4.694231 -6.292342\nLa In Ni\n2 12 14\ndirect\n0.250000 0.750000 0.500000 La\n0.750000 0.250000 0.500000 La\n0.553485 0.533541 0.365331 In\n0.446515 0.466459 0.634669 In\n0.168210 0.188154 0.634669 In\n0.331790 0.966459 0.019944 In\n0.831790 0.811846 0.365331 In\n0.668210 0.033541 0.980056 In\n0.946515 0.311846 0.980056 In\n0.053485 0.688154 0.019944 In\n0.044390 0.323839 0.368229 In\n0.955610 0.676161 0.631771 In\n0.544390 0.176161 0.720550 In\n0.455610 0.823839 0.279450 In\n0.259067 0.297795 0.213808 Ni\n0.740933 0.702205 0.786192 Ni\n0.083987 0.045259 0.786192 Ni\n0.416013 0.202205 0.961272 Ni\n0.916013 0.954741 0.213808 Ni\n0.583987 0.797795 0.038728 Ni\n0.240933 0.454741 0.038728 Ni\n0.759067 0.545259 0.961272 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.261127 0.074622 0.335750 Ni\n0.738873 0.925378 0.664250 Ni\n0.761127 0.425378 0.186505 Ni\n0.238873 0.574622 0.813495 Ni\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"In",
"Ni"
],
"chemical_system": "In-La-Ni",
"density": 8.616304408950095,
"density_atomic": 0.05864693365111095,
"volume": 477.43331589288636,
"volume_molar": 10.268466542216096,
"formula_full": "La2 In12 Ni14",
"formula_reduced": "LaIn6Ni7",
"formula_anonymous": "AB6C7",
"energy": -130.08262561,
"energy_per_atom": -4.6458080575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.08262561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2790997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.936000Z",
"spacegroup": 72
}
]
}