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=-is_stable&page=21",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=19",
"results": [
{
"id": "mp-758517",
"created_at": "2022-09-04T14:43:16.641034Z",
"structure_string": "Li11 Ni13 O24\n1.0\n4.345477 6.264283 0.000000\n-4.345477 6.264283 0.000000\n0.000000 6.096831 7.561228\nLi Ni O\n11 13 24\ndirect\n0.166852 0.833148 0.500000 Li\n0.749914 0.749914 0.752631 Li\n0.416418 0.087350 0.747990 Li\n0.664693 0.335307 0.000000 Li\n0.335307 0.664693 0.000000 Li\n0.912650 0.583582 0.252010 Li\n0.583582 0.912650 0.252010 Li\n0.250086 0.250086 0.247369 Li\n0.833148 0.166852 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.087350 0.416418 0.747990 Li\n0.709308 0.041110 0.875897 Ni\n0.290692 0.958890 0.124103 Ni\n0.207228 0.537694 0.376645 Ni\n0.876256 0.876256 0.372893 Ni\n0.462306 0.792772 0.623355 Ni\n0.792772 0.462306 0.623355 Ni\n0.000000 0.000000 0.000000 Ni\n0.041110 0.709308 0.875897 Ni\n0.376263 0.376263 0.872672 Ni\n0.623737 0.623737 0.127328 Ni\n0.958890 0.290692 0.124103 Ni\n0.537694 0.207228 0.376645 Ni\n0.123744 0.123744 0.627107 Ni\n0.397367 0.717413 0.302671 O\n0.052717 0.052717 0.309891 O\n0.947283 0.947283 0.690109 O\n0.641320 0.984542 0.547712 O\n0.984542 0.641320 0.547712 O\n0.531782 0.848828 0.949635 O\n0.779141 0.108235 0.188876 O\n0.108235 0.779141 0.188876 O\n0.426304 0.426304 0.210462 O\n0.015458 0.358680 0.452288 O\n0.358680 0.015458 0.452288 O\n0.702533 0.702533 0.432598 O\n0.891765 0.220859 0.811124 O\n0.220859 0.891765 0.811124 O\n0.573696 0.573696 0.789538 O\n0.151172 0.468218 0.050365 O\n0.468218 0.151172 0.050365 O\n0.815407 0.815407 0.054579 O\n0.717413 0.397367 0.302671 O\n0.602633 0.282587 0.697329 O\n0.282587 0.602633 0.697329 O\n0.297467 0.297467 0.567402 O\n0.184593 0.184593 0.945421 O\n0.848828 0.531782 0.949635 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.934793148628962,
"density_atomic": 0.11660309624142655,
"volume": 411.65287670077015,
"volume_molar": 5.164649099481171,
"formula_full": "Li11 Ni13 O24",
"formula_reduced": "Li11Ni13O24",
"formula_anonymous": "A11B13C24",
"energy": -285.17806481,
"energy_per_atom": -5.9412096835416675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.65706481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.968912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.675000Z",
"spacegroup": 12
},
{
"id": "mp-1208967",
"created_at": "2022-09-04T14:43:16.644165Z",
"structure_string": "Sr4 Au2 O8\n1.0\n7.285478 0.000000 0.000000\n0.000000 7.285478 0.000000\n-3.642739 -3.642739 4.183396\nSr Au O\n4 2 8\ndirect\n0.625000 0.875000 0.250000 Sr\n0.625000 0.375000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.125000 0.375000 0.750000 Sr\n0.000000 0.000000 0.000000 Au\n0.250000 0.750000 0.500000 Au\n0.343299 0.070167 0.139443 O\n0.796144 0.069277 0.139443 O\n0.319277 0.093299 0.639443 O\n0.906701 0.679833 0.360557 O\n0.320167 0.546144 0.639443 O\n0.453856 0.680724 0.360557 O\n0.930724 0.656701 0.860557 O\n0.929833 0.203856 0.860557 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Au",
"O"
],
"chemical_system": "Au-O-Sr",
"density": 6.524148326228871,
"density_atomic": 0.06304969015844586,
"volume": 222.04708643004523,
"volume_molar": 9.55142007021156,
"formula_full": "Sr4 Au2 O8",
"formula_reduced": "Sr2AuO4",
"formula_anonymous": "AB2C4",
"energy": -76.19678182,
"energy_per_atom": -5.442627272857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.70078182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.584301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.097000Z",
"spacegroup": 141
},
{
"id": "mp-1018810",
"created_at": "2022-09-04T14:43:16.650667Z",
"structure_string": "Na4 Cl2\n1.0\n3.556088 0.000000 0.000000\n0.000000 3.556088 0.000000\n0.000000 0.000000 12.592574\nNa Cl\n4 2\ndirect\n0.000000 0.000000 0.226903 Na\n0.000000 0.000000 0.773097 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.359178 Cl\n0.500000 0.500000 0.640822 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 1.698312303387834,
"density_atomic": 0.03767833815511016,
"volume": 159.24269205557422,
"volume_molar": 15.983031776000029,
"formula_full": "Na4 Cl2",
"formula_reduced": "Na2Cl",
"formula_anonymous": "AB2",
"energy": -16.557375190000002,
"energy_per_atom": -2.759562531666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.32937519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.23e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.210000Z",
"spacegroup": 123
},
{
"id": "mp-1103885",
"created_at": "2022-09-04T14:43:16.652920Z",
"structure_string": "Nb6 Fe7\n1.0\n-2.442193 -4.230002 0.000000\n-4.884386 0.000000 0.000000\n-2.442193 -1.410001 -8.760366\nNb Fe\n6 7\ndirect\n0.832971 0.832971 0.501087 Nb\n0.167029 0.167029 0.498913 Nb\n0.653816 0.653816 0.038553 Nb\n0.346184 0.346184 0.961447 Nb\n0.550357 0.550357 0.348928 Nb\n0.449643 0.449643 0.651072 Nb\n0.000000 0.000000 0.000000 Fe\n0.909572 0.404841 0.776016 Fe\n0.404841 0.909572 0.776016 Fe\n0.909572 0.909572 0.776016 Fe\n0.090428 0.595159 0.223984 Fe\n0.595159 0.090428 0.223984 Fe\n0.090428 0.090428 0.223984 Fe\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Nb",
"Fe"
],
"chemical_system": "Fe-Nb",
"density": 8.700544780580765,
"density_atomic": 0.0718241592290184,
"volume": 180.99759383953554,
"volume_molar": 8.38456144094609,
"formula_full": "Nb6 Fe7",
"formula_reduced": "Nb6Fe7",
"formula_anonymous": "A6B7",
"energy": -121.36111856,
"energy_per_atom": -9.335470658461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.36111856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.4010639,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.943000Z",
"spacegroup": 166
},
{
"id": "mp-761173",
"created_at": "2022-09-04T14:43:16.659623Z",
"structure_string": "Li2 V2 S6 O24\n1.0\n8.180639 0.000000 0.000000\n-2.360143 7.925799 0.000000\n-2.646026 -3.470064 7.203397\nLi V S O\n2 2 6 24\ndirect\n0.854909 0.227388 0.426670 Li\n0.145091 0.772612 0.573330 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.909420 0.553855 0.766767 S\n0.457499 0.241779 0.100623 S\n0.779161 0.904998 0.562281 S\n0.220839 0.095002 0.437719 S\n0.542501 0.758221 0.899377 S\n0.090580 0.446145 0.233233 S\n0.992762 0.229661 0.136970 O\n0.966542 0.510642 0.299068 O\n0.878017 0.015252 0.775433 O\n0.731201 0.029454 0.487729 O\n0.895431 0.821755 0.503139 O\n0.762354 0.879683 0.988773 O\n0.559072 0.152283 0.189680 O\n0.744425 0.513031 0.581687 O\n0.833237 0.479391 0.872918 O\n0.476939 0.417427 0.255452 O\n0.502002 0.711623 0.036348 O\n0.408132 0.247953 0.477536 O\n0.591868 0.752047 0.522464 O\n0.497998 0.288377 0.963652 O\n0.523061 0.582573 0.744548 O\n0.166763 0.520609 0.127082 O\n0.255575 0.486969 0.418313 O\n0.440928 0.847717 0.810320 O\n0.237646 0.120317 0.011227 O\n0.104569 0.178245 0.496861 O\n0.268799 0.970546 0.512271 O\n0.121983 0.984748 0.224567 O\n0.033458 0.489358 0.700932 O\n0.007238 0.770339 0.863030 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"V",
"S",
"O"
],
"chemical_system": "Li-O-S-V",
"density": 2.460797003493023,
"density_atomic": 0.07279663149742152,
"volume": 467.05457794711685,
"volume_molar": 8.272554149999792,
"formula_full": "Li2 V2 S6 O24",
"formula_reduced": "LiV(SO4)3",
"formula_anonymous": "ABC3D12",
"energy": -230.04048031,
"energy_per_atom": -6.765896479705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.15248031,
"band_gap": 0.8699,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.140000Z",
"spacegroup": 2
},
{
"id": "mp-989564",
"created_at": "2022-09-04T14:43:16.665988Z",
"structure_string": "La1 Os1 N3\n1.0\n3.950555 0.000000 0.000000\n0.000000 3.950555 0.000000\n0.000000 0.000000 3.950555\nLa Os N\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Os\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Os",
"N"
],
"chemical_system": "La-N-Os",
"density": 9.996103462527321,
"density_atomic": 0.08109529667528097,
"volume": 61.655856812767205,
"volume_molar": 7.426004968097781,
"formula_full": "La1 Os1 N3",
"formula_reduced": "LaOsN3",
"formula_anonymous": "ABC3",
"energy": -43.97407471999999,
"energy_per_atom": -8.794814943999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.89107471999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.826000Z",
"spacegroup": 221
},
{
"id": "mp-779833",
"created_at": "2022-09-04T14:43:16.672038Z",
"structure_string": "Hf16 N16 O8\n1.0\n8.693486 0.000000 0.000000\n-2.896663 8.235958 0.000000\n-2.920225 -4.100358 7.150971\nHf N O\n16 16 8\ndirect\n0.998418 0.009859 0.499783 Hf\n0.251528 0.706700 0.464376 Hf\n0.778792 0.530556 0.251703 Hf\n0.285399 0.042568 0.249046 Hf\n0.739877 0.786462 0.034503 Hf\n0.031598 0.260216 0.284406 Hf\n0.535129 0.253439 0.784162 Hf\n0.966442 0.741669 0.714481 Hf\n0.003719 0.490296 0.994716 Hf\n0.499537 0.999410 0.001825 Hf\n0.467197 0.741644 0.212767 Hf\n0.489129 0.489937 0.488824 Hf\n0.258756 0.215679 0.967124 Hf\n0.214755 0.462141 0.749721 Hf\n0.715360 0.969198 0.750818 Hf\n0.755466 0.293013 0.542681 Hf\n0.732065 0.760858 0.271315 N\n0.227797 0.955358 0.965528 N\n0.538343 0.273157 0.043828 N\n0.512420 0.745040 0.470905 N\n0.989903 0.464869 0.230764 N\n0.267857 0.232158 0.724467 N\n0.487382 0.258316 0.531078 N\n0.257524 0.271547 0.227790 N\n0.774977 0.226483 0.767890 N\n0.773104 0.041448 0.031080 N\n0.466901 0.729083 0.955159 N\n0.241152 0.467200 0.018012 N\n0.009728 0.544410 0.774782 N\n0.730692 0.493781 0.457366 N\n0.274142 0.516358 0.549009 N\n0.945879 0.219014 0.481107 N\n0.958618 0.002271 0.729631 O\n0.039248 0.984380 0.266287 O\n0.450806 0.965285 0.728019 O\n0.057513 0.782262 0.523717 O\n0.748648 0.729881 0.778560 O\n0.756679 0.535286 0.977031 O\n0.540984 0.032072 0.269528 O\n0.226530 0.776693 0.236211 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.404053100463798,
"density_atomic": 0.07812443548507546,
"volume": 512.0036996317423,
"volume_molar": 7.70839587205778,
"formula_full": "Hf16 N16 O8",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy": -433.32394671,
"energy_per_atom": -10.833098667749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -422.05194671,
"band_gap": 1.9989,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.640000Z",
"spacegroup": 1
},
{
"id": "mp-1025283",
"created_at": "2022-09-04T14:43:16.676036Z",
"structure_string": "Pr1 In5 Rh1\n1.0\n4.716939 0.000000 0.000000\n0.000000 4.716939 0.000000\n0.000000 0.000000 7.651895\nPr In Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.304350 In\n0.000000 0.500000 0.695650 In\n0.500000 0.000000 0.304350 In\n0.500000 0.000000 0.695650 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"In",
"Rh"
],
"chemical_system": "In-Pr-Rh",
"density": 7.977401608803048,
"density_atomic": 0.041115778540167076,
"volume": 170.25094133050447,
"volume_molar": 14.646787617354281,
"formula_full": "Pr1 In5 Rh1",
"formula_reduced": "PrIn5Rh",
"formula_anonymous": "ABC5",
"energy": -29.01493455,
"energy_per_atom": -4.1449906499999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.01493455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017043,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.509000Z",
"spacegroup": 123
},
{
"id": "mp-1042994",
"created_at": "2022-09-04T14:43:16.642789Z",
"structure_string": "Cr6 Fe4 O24\n1.0\n6.698269 0.000000 0.000000\n-1.924017 8.270089 0.000000\n-2.498371 -3.658139 8.881645\nCr Fe O\n6 4 24\ndirect\n0.883658 0.894571 0.661719 Cr\n0.116342 0.105429 0.338281 Cr\n0.217695 0.665518 0.260543 Cr\n0.782305 0.334482 0.739457 Cr\n0.597181 0.256959 0.134531 Cr\n0.402819 0.743041 0.865469 Cr\n0.376451 0.958279 0.606942 Fe\n0.623549 0.041721 0.393058 Fe\n0.050169 0.212592 0.018283 Fe\n0.949831 0.787408 0.981717 Fe\n0.074424 0.053846 0.148998 O\n0.925576 0.946154 0.851002 O\n0.570550 0.134987 0.240645 O\n0.429450 0.865013 0.759355 O\n0.179953 0.452855 0.182146 O\n0.820047 0.547145 0.817854 O\n0.979225 0.282155 0.840982 O\n0.020775 0.717845 0.159018 O\n0.239168 0.799722 0.962962 O\n0.760832 0.200278 0.037038 O\n0.892398 0.002653 0.361184 O\n0.107602 0.997347 0.638816 O\n0.543550 0.217747 0.735909 O\n0.456450 0.782253 0.264091 O\n0.344658 0.220180 0.017307 O\n0.655342 0.779820 0.982693 O\n0.333081 0.050051 0.429276 O\n0.666919 0.949949 0.570724 O\n0.222454 0.719615 0.438269 O\n0.777546 0.280385 0.561731 O\n0.703329 0.458593 0.243385 O\n0.296671 0.541407 0.756615 O\n0.165870 0.310058 0.413035 O\n0.834130 0.689942 0.586965 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-O",
"density": 3.1028452393751373,
"density_atomic": 0.06910551990455706,
"volume": 492.0012185272326,
"volume_molar": 8.714413506066219,
"formula_full": "Cr6 Fe4 O24",
"formula_reduced": "Cr3(FeO6)2",
"formula_anonymous": "A2B3C12",
"energy": -265.20143538,
"energy_per_atom": -7.800042217058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.69543538,
"band_gap": 1.6062,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0065205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.356000Z",
"spacegroup": 2
},
{
"id": "mp-1103893",
"created_at": "2022-09-04T14:43:16.683369Z",
"structure_string": "Lu4 Mn2 Se8\n1.0\n0.000000 5.720318 5.720318\n5.720318 0.000000 5.720318\n5.720318 5.720318 0.000000\nLu Mn Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Lu\n0.625000 0.125000 0.625000 Lu\n0.625000 0.625000 0.125000 Lu\n0.625000 0.625000 0.625000 Lu\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.862546 0.379151 0.379151 Se\n0.379151 0.862546 0.379151 Se\n0.379151 0.379151 0.862546 Se\n0.379151 0.379151 0.379151 Se\n0.387454 0.870849 0.870849 Se\n0.870849 0.387454 0.870849 Se\n0.870849 0.870849 0.387454 Se\n0.870849 0.870849 0.870849 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"Se"
],
"chemical_system": "Lu-Mn-Se",
"density": 6.393672110551152,
"density_atomic": 0.03739706529454761,
"volume": 374.36092617784,
"volume_molar": 16.103244232049434,
"formula_full": "Lu4 Mn2 Se8",
"formula_reduced": "Lu2MnSe4",
"formula_anonymous": "AB2C4",
"energy": -88.30702525,
"energy_per_atom": -6.307644660714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.53102525,
"band_gap": 0.7626,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9999681,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.947000Z",
"spacegroup": 227
},
{
"id": "mp-23230",
"created_at": "2022-09-04T14:43:16.868297Z",
"structure_string": "P4 Cl12\n1.0\n6.523152 0.000000 0.000000\n0.000000 8.987533 0.000000\n0.000000 0.000000 10.074485\nP Cl\n4 12\ndirect\n0.923728 0.972501 0.750000 P\n0.423728 0.527499 0.250000 P\n0.576272 0.472501 0.750000 P\n0.076272 0.027499 0.250000 P\n0.744751 0.902858 0.907885 Cl\n0.244751 0.597142 0.092115 Cl\n0.755249 0.402858 0.592115 Cl\n0.255249 0.097142 0.407885 Cl\n0.851338 0.190076 0.250000 Cl\n0.351338 0.309924 0.750000 Cl\n0.648662 0.690076 0.250000 Cl\n0.148662 0.809924 0.750000 Cl\n0.744751 0.902858 0.592115 Cl\n0.244751 0.597142 0.407885 Cl\n0.755249 0.402858 0.907885 Cl\n0.255249 0.097142 0.092115 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 1.5444092437969936,
"density_atomic": 0.027089384135170185,
"volume": 590.6372740023712,
"volume_molar": 22.230630013406053,
"formula_full": "P4 Cl12",
"formula_reduced": "PCl3",
"formula_anonymous": "AB3",
"energy": -62.41870516,
"energy_per_atom": -3.9011690725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.05070516,
"band_gap": 4.051,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.124000Z",
"spacegroup": 62
},
{
"id": "mp-862262",
"created_at": "2022-09-04T14:43:16.026809Z",
"structure_string": "La1 Cd1 Hg2\n1.0\n0.000000 3.732614 3.732614\n3.732614 0.000000 3.732614\n3.732614 3.732614 0.000000\nLa Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-La",
"density": 10.417368484311014,
"density_atomic": 0.03845835940414428,
"volume": 104.00859688177337,
"volume_molar": 15.658860266803408,
"formula_full": "La1 Cd1 Hg2",
"formula_reduced": "LaCdHg2",
"formula_anonymous": "ABC2",
"energy": -8.29678062,
"energy_per_atom": -2.074195155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.29678062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.059000Z",
"spacegroup": 225
}
]
}