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_atomic&page=10398",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10396",
"results": [
{
"id": "mp-975929",
"created_at": "2022-09-04T14:40:15.247204Z",
"structure_string": "Li3 Ca1\n1.0\n0.000000 3.744267 3.744267\n3.744267 0.000000 3.744267\n3.744267 3.744267 0.000000\nLi Ca\n3 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 0.9632590429376198,
"density_atomic": 0.03810040260040321,
"volume": 104.98576726214615,
"volume_molar": 15.805976706231101,
"formula_full": "Li3 Ca1",
"formula_reduced": "Li3Ca",
"formula_anonymous": "AB3",
"energy": -7.53757652,
"energy_per_atom": -1.88439413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.53757652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0175672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.339000Z",
"spacegroup": 225
},
{
"id": "mp-978529",
"created_at": "2022-09-04T14:46:17.751465Z",
"structure_string": "Sm1 Tm1 Hg2\n1.0\n0.000000 3.744268 3.744268\n3.744268 0.000000 3.744268\n3.744268 3.744268 0.000000\nSm Tm Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"Hg"
],
"chemical_system": "Hg-Sm-Tm",
"density": 11.39558860993092,
"density_atomic": 0.03810037207342777,
"volume": 104.98585137938083,
"volume_molar": 15.805989370376787,
"formula_full": "Sm1 Tm1 Hg2",
"formula_reduced": "SmTmHg2",
"formula_anonymous": "ABC2",
"energy": -11.67137886,
"energy_per_atom": -2.917844715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.67137886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.479000Z",
"spacegroup": 225
},
{
"id": "mp-558762",
"created_at": "2022-09-04T14:41:00.347498Z",
"structure_string": "K1 Sn1 S2\n1.0\n7.561433 -2.014037 0.000000\n7.561433 2.014037 0.000000\n7.024981 0.000000 3.446920\nK Sn S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sn\n0.266046 0.266046 0.266046 S\n0.733954 0.733954 0.733954 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sn",
"S"
],
"chemical_system": "K-S-Sn",
"density": 3.510335288214366,
"density_atomic": 0.03810019852855955,
"volume": 104.98632958570117,
"volume_molar": 15.806061366021122,
"formula_full": "K1 Sn1 S2",
"formula_reduced": "KSnS2",
"formula_anonymous": "ABC2",
"energy": -17.19343178,
"energy_per_atom": -4.298357945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18743178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2840287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.714000Z",
"spacegroup": 166
},
{
"id": "mp-1199787",
"created_at": "2022-09-04T14:42:28.083328Z",
"structure_string": "Cu8 C12 N4 Cl20\n1.0\n9.677972 0.000000 0.000000\n0.000000 5.989419 0.000000\n0.000000 4.068996 19.923462\nCu C N Cl\n8 12 4 20\ndirect\n0.888064 0.820192 0.975007 Cu\n0.388064 0.179808 0.524993 Cu\n0.111936 0.179808 0.024993 Cu\n0.611936 0.820192 0.475007 Cu\n0.703448 0.424686 0.927926 Cu\n0.203448 0.575314 0.572074 Cu\n0.296552 0.575314 0.072074 Cu\n0.796552 0.424686 0.427926 Cu\n0.907010 0.844025 0.704908 C\n0.407010 0.155975 0.795092 C\n0.092990 0.155975 0.295092 C\n0.592990 0.844025 0.204908 C\n0.069021 0.399467 0.625681 C\n0.569021 0.600533 0.874319 C\n0.930979 0.600533 0.374319 C\n0.430979 0.399467 0.125681 C\n0.992831 0.018358 0.687052 C\n0.492831 0.981642 0.812948 C\n0.007169 0.981642 0.312948 C\n0.507169 0.018358 0.187052 C\n0.018619 0.228283 0.655361 N\n0.518619 0.771717 0.844639 N\n0.981381 0.771717 0.344639 N\n0.481381 0.228283 0.155361 N\n0.870936 0.672531 0.877771 Cl\n0.370936 0.327469 0.622229 Cl\n0.129064 0.327469 0.122229 Cl\n0.629064 0.672531 0.377771 Cl\n0.780239 0.496915 0.030019 Cl\n0.280239 0.503085 0.469981 Cl\n0.219761 0.503085 0.969981 Cl\n0.719761 0.496915 0.530019 Cl\n0.620642 0.178144 0.769793 Cl\n0.120642 0.821856 0.730207 Cl\n0.379358 0.821856 0.230207 Cl\n0.879358 0.178144 0.269793 Cl\n0.671238 0.053962 0.957665 Cl\n0.171238 0.946038 0.542335 Cl\n0.328762 0.946038 0.042335 Cl\n0.828762 0.053962 0.457665 Cl\n0.044183 0.086983 0.924893 Cl\n0.544183 0.913017 0.575107 Cl\n0.955817 0.913017 0.075107 Cl\n0.455817 0.086983 0.424893 Cl\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Cu",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Cu-N",
"density": 2.038279760494813,
"density_atomic": 0.038099459398844,
"volume": 1154.8720295316061,
"volume_molar": 15.80636800369593,
"formula_full": "Cu8 C12 N4 Cl20",
"formula_reduced": "Cu2C3NCl5",
"formula_anonymous": "AB2C3D5",
"energy": -212.07592348,
"energy_per_atom": -4.819907351818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.35192348,
"band_gap": 0.1801999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.555000Z",
"spacegroup": 14
},
{
"id": "mp-1039509",
"created_at": "2022-09-04T14:40:22.869011Z",
"structure_string": "Ce6 Mg6\n1.0\n5.751935 0.000000 0.000000\n0.000000 3.174702 0.000000\n0.000000 0.000000 17.248720\nCe Mg\n6 6\ndirect\n-0.000000 0.500000 0.493023 Ce\n-0.000000 0.500000 0.848358 Ce\n0.500000 0.500000 0.717151 Ce\n-0.000000 -0.000000 0.993023 Ce\n-0.000000 -0.000000 0.348358 Ce\n0.500000 0.000000 0.217150 Ce\n-0.000000 -0.000000 0.665760 Mg\n0.500000 0.000000 0.548512 Mg\n0.500000 -0.000000 0.893863 Mg\n-0.000000 0.500000 0.165760 Mg\n0.500000 0.500000 0.048512 Mg\n0.500000 0.500000 0.393863 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.20096373490749,
"density_atomic": 0.0380984615226669,
"volume": 314.97334853956056,
"volume_molar": 15.806782004614787,
"formula_full": "Ce6 Mg6",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -44.39656333,
"energy_per_atom": -3.6997136108333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.39656333,
"band_gap": 0.0259,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.1336014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.273000Z",
"spacegroup": 38
},
{
"id": "mp-11879",
"created_at": "2022-09-04T14:42:39.636618Z",
"structure_string": "Ba1 Ni1 Sn3\n1.0\n-2.435624 2.435624 5.530918\n2.435624 -2.435624 5.530918\n2.435624 2.435624 -5.530918\nBa Ni Sn\n1 1 3\ndirect\n0.001129 0.001129 0.000000 Ba\n0.660016 0.660016 0.000000 Ni\n0.249654 0.749654 0.500000 Sn\n0.427846 0.427846 0.000000 Sn\n0.749654 0.249654 0.500000 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Sn"
],
"chemical_system": "Ba-Ni-Sn",
"density": 6.98600332216637,
"density_atomic": 0.038097133833872296,
"volume": 131.24346891299425,
"volume_molar": 15.807332872494712,
"formula_full": "Ba1 Ni1 Sn3",
"formula_reduced": "BaNiSn3",
"formula_anonymous": "ABC3",
"energy": -22.10447525,
"energy_per_atom": -4.42089505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.10447525,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.06e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.088000Z",
"spacegroup": 107
},
{
"id": "mp-863022",
"created_at": "2022-09-04T14:47:45.147056Z",
"structure_string": "Rb2 Ta2 Ge2 S10\n1.0\n7.027481 0.000000 0.000000\n1.768291 7.002027 0.000000\n1.853523 2.872328 8.535442\nRb Ta Ge S\n2 2 2 10\ndirect\n0.592840 0.359144 0.310336 Rb\n0.407160 0.640856 0.689664 Rb\n0.240514 0.027842 0.004270 Ta\n0.759486 0.972158 0.995730 Ta\n0.977843 0.705924 0.376439 Ge\n0.022157 0.294076 0.623561 Ge\n0.066815 0.753961 0.009013 S\n0.441197 0.227591 0.029962 S\n0.690178 0.870284 0.292935 S\n0.218405 0.880691 0.295311 S\n0.068669 0.390232 0.356135 S\n0.931331 0.609768 0.643865 S\n0.781595 0.119309 0.704689 S\n0.309822 0.129716 0.707065 S\n0.558803 0.772409 0.970038 S\n0.933185 0.246039 0.990987 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Ge",
"S"
],
"chemical_system": "Ge-Rb-S-Ta",
"density": 3.9487655830004624,
"density_atomic": 0.038095221749131526,
"volume": 420.0001802159022,
"volume_molar": 15.808126278034566,
"formula_full": "Rb2 Ta2 Ge2 S10",
"formula_reduced": "RbTaGeS5",
"formula_anonymous": "ABCD5",
"energy": -94.79044442,
"energy_per_atom": -5.92440277625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.76044442,
"band_gap": 0.9272999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017628,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.452000Z",
"spacegroup": 2
},
{
"id": "mp-679989",
"created_at": "2022-09-04T14:45:33.807416Z",
"structure_string": "Bi4 Mo24 Cl60\n1.0\n6.689055 6.520228 0.000000\n-6.689055 6.520228 0.000000\n0.000000 0.793634 26.482457\nBi Mo Cl\n4 24 60\ndirect\n0.668749 0.757475 0.391671 Bi\n0.757475 0.668749 0.891671 Bi\n0.331251 0.242525 0.608329 Bi\n0.242525 0.331251 0.108329 Bi\n0.671939 0.796773 0.063921 Mo\n0.182238 0.228350 0.301094 Mo\n0.441757 0.299572 0.850129 Mo\n0.823775 0.639121 0.125826 Mo\n0.914528 0.886479 0.612112 Mo\n0.977049 0.622172 0.637071 Mo\n0.817762 0.771650 0.698906 Mo\n0.377828 0.022951 0.862929 Mo\n0.639121 0.823775 0.625826 Mo\n0.328061 0.203227 0.936079 Mo\n0.886479 0.914528 0.112112 Mo\n0.228350 0.182238 0.801094 Mo\n0.558243 0.700428 0.149871 Mo\n0.796773 0.671939 0.563921 Mo\n0.022951 0.377828 0.362929 Mo\n0.299572 0.441757 0.350129 Mo\n0.700428 0.558243 0.649871 Mo\n0.622172 0.977049 0.137071 Mo\n0.203227 0.328061 0.436079 Mo\n0.085472 0.113521 0.387888 Mo\n0.360879 0.176225 0.374174 Mo\n0.771650 0.817762 0.198906 Mo\n0.176225 0.360879 0.874174 Mo\n0.113521 0.085472 0.887888 Mo\n0.925257 0.169918 0.317176 Cl\n0.898930 0.941908 0.919370 Cl\n0.424706 0.856644 0.091684 Cl\n0.213642 0.510868 0.649371 Cl\n0.056258 0.735553 0.554919 Cl\n0.761366 0.020204 0.671605 Cl\n0.510868 0.213642 0.149371 Cl\n0.538884 0.617394 0.579793 Cl\n0.877046 0.517724 0.717554 Cl\n0.827486 0.838129 0.787707 Cl\n0.161871 0.172514 0.712293 Cl\n0.596733 0.048913 0.376742 Cl\n0.979796 0.238634 0.828395 Cl\n0.452062 0.661098 0.325296 Cl\n0.786358 0.489132 0.350629 Cl\n0.076450 0.262387 0.955665 Cl\n0.143356 0.575294 0.408316 Cl\n0.403267 0.951087 0.623258 Cl\n0.122954 0.482276 0.282446 Cl\n0.534666 0.239190 0.544353 Cl\n0.382606 0.461116 0.920207 Cl\n0.048913 0.596733 0.876742 Cl\n0.264447 0.943742 0.945081 Cl\n0.489132 0.786358 0.850629 Cl\n0.215050 0.407883 0.525167 Cl\n0.238634 0.979796 0.328395 Cl\n0.856644 0.424706 0.591684 Cl\n0.575294 0.143356 0.908316 Cl\n0.442047 0.291341 0.292549 Cl\n0.482276 0.122954 0.782446 Cl\n0.557953 0.708659 0.707451 Cl\n0.735553 0.056258 0.054919 Cl\n0.262387 0.076450 0.455665 Cl\n0.169918 0.925257 0.817176 Cl\n0.661098 0.452062 0.825296 Cl\n0.784950 0.592117 0.474833 Cl\n0.547938 0.338902 0.674704 Cl\n0.407883 0.215050 0.025167 Cl\n0.074743 0.830082 0.682824 Cl\n0.838129 0.827486 0.287707 Cl\n0.461116 0.382606 0.420207 Cl\n0.708659 0.557953 0.207451 Cl\n0.465334 0.760810 0.455647 Cl\n0.058092 0.101070 0.580630 Cl\n0.172514 0.161871 0.212293 Cl\n0.338902 0.547938 0.174704 Cl\n0.592117 0.784950 0.974833 Cl\n0.943742 0.264447 0.445081 Cl\n0.941908 0.898930 0.419370 Cl\n0.101070 0.058092 0.080630 Cl\n0.239190 0.534666 0.044353 Cl\n0.020204 0.761366 0.171605 Cl\n0.951087 0.403267 0.123258 Cl\n0.830082 0.074743 0.182824 Cl\n0.617394 0.538884 0.079793 Cl\n0.291341 0.442047 0.792549 Cl\n0.760810 0.465334 0.955647 Cl\n0.737613 0.923550 0.544335 Cl\n0.517724 0.877046 0.217554 Cl\n0.923550 0.737613 0.044335 Cl\n",
"nsites": 88,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"Cl"
],
"chemical_system": "Bi-Cl-Mo",
"density": 3.78517725883465,
"density_atomic": 0.038094901181410824,
"volume": 2310.020429792882,
"volume_molar": 15.808259303055037,
"formula_full": "Bi4 Mo24 Cl60",
"formula_reduced": "Bi(Mo2Cl5)3",
"formula_anonymous": "AB6C15",
"energy": -506.0465237300001,
"energy_per_atom": -5.750528678750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -469.20652373,
"band_gap": 1.8924,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.576000Z",
"spacegroup": 15
},
{
"id": "mp-29957",
"created_at": "2022-09-04T14:48:10.174765Z",
"structure_string": "Zr15 Te18\n1.0\n5.904009 -10.226044 0.000000\n5.904009 10.226044 0.000000\n0.000000 0.000000 7.174039\nZr Te\n15 18\ndirect\n0.000000 0.362727 0.500000 Zr\n0.362727 0.000000 0.500000 Zr\n0.637273 0.637273 0.500000 Zr\n0.000000 0.637273 0.500000 Zr\n0.637273 0.000000 0.500000 Zr\n0.362727 0.362727 0.500000 Zr\n0.297871 0.297871 0.000000 Zr\n0.000000 0.702129 0.000000 Zr\n0.702129 0.000000 0.000000 Zr\n0.702129 0.702129 0.000000 Zr\n0.000000 0.297871 0.000000 Zr\n0.297871 0.000000 0.000000 Zr\n0.333333 0.666667 0.511384 Zr\n0.666667 0.333333 0.488616 Zr\n0.000000 0.000000 0.000000 Zr\n0.224501 0.775499 0.244799 Te\n0.550997 0.775499 0.244799 Te\n0.224501 0.449003 0.244799 Te\n0.775499 0.550997 0.755201 Te\n0.775499 0.224501 0.755201 Te\n0.449003 0.224501 0.755201 Te\n0.117600 0.558800 0.790892 Te\n0.441200 0.558800 0.790892 Te\n0.441200 0.882400 0.790892 Te\n0.558800 0.441200 0.209108 Te\n0.882400 0.441200 0.209108 Te\n0.558800 0.117600 0.209108 Te\n0.106548 0.213096 0.710967 Te\n0.786904 0.893452 0.710967 Te\n0.106548 0.893452 0.710967 Te\n0.893452 0.786904 0.289033 Te\n0.893452 0.106548 0.289033 Te\n0.213096 0.106548 0.289033 Te\n",
"nsites": 33,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.0257653162187355,
"density_atomic": 0.03809478642011122,
"volume": 866.260270790715,
"volume_molar": 15.808306925749704,
"formula_full": "Zr15 Te18",
"formula_reduced": "Zr5Te6",
"formula_anonymous": "A5B6",
"energy": -221.93896998,
"energy_per_atom": -6.7254233327272726,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.34296998,
"band_gap": 0.0050999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.477000Z",
"spacegroup": 164
},
{
"id": "mp-1021751",
"created_at": "2022-09-04T14:47:57.391146Z",
"structure_string": "Rb2 Mg12 V2\n1.0\n5.332580 0.000000 0.000000\n0.000000 6.703404 0.000000\n0.000000 0.000000 11.750054\nRb Mg V\n2 12 2\ndirect\n0.500000 0.500000 0.162441 Rb\n0.500000 0.000000 0.662441 Rb\n0.000000 0.773184 0.076532 Mg\n0.000000 0.226816 0.076532 Mg\n0.000000 0.000000 0.334140 Mg\n0.500000 0.265329 0.411280 Mg\n0.500000 0.734671 0.411280 Mg\n0.500000 0.000000 0.170594 Mg\n0.000000 0.273184 0.576532 Mg\n0.000000 0.726816 0.576532 Mg\n0.000000 0.500000 0.834140 Mg\n0.500000 0.765329 0.911280 Mg\n0.500000 0.234671 0.911280 Mg\n0.500000 0.500000 0.670594 Mg\n0.000000 0.500000 0.357200 V\n0.000000 0.000000 0.857200 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"V"
],
"chemical_system": "Mg-Rb-V",
"density": 2.2316390037907494,
"density_atomic": 0.03809319031326504,
"volume": 420.02257800991754,
"volume_molar": 15.808969294711275,
"formula_full": "Rb2 Mg12 V2",
"formula_reduced": "RbMg6V",
"formula_anonymous": "ABC6",
"energy": -32.11575701,
"energy_per_atom": -2.007234813125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.11575701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8313784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.222000Z",
"spacegroup": 38
},
{
"id": "mp-5213",
"created_at": "2022-09-04T14:42:14.944968Z",
"structure_string": "Cd2 Sn2 P4\n1.0\n-2.992676 2.992676 5.862350\n2.992676 -2.992676 5.862350\n2.992676 2.992676 -5.862350\nCd Sn P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.617958 0.625000 0.492958 P\n0.375000 0.867958 0.992958 P\n0.132042 0.125000 0.507042 P\n0.875000 0.382042 0.007042 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"P"
],
"chemical_system": "Cd-P-Sn",
"density": 4.634438610526407,
"density_atomic": 0.03809244511814401,
"volume": 210.0153974151026,
"volume_molar": 15.809278562513597,
"formula_full": "Cd2 Sn2 P4",
"formula_reduced": "CdSnP2",
"formula_anonymous": "ABC2",
"energy": -32.28022525,
"energy_per_atom": -4.03502815625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.28022525,
"band_gap": 0.2694999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000102,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.043000Z",
"spacegroup": 122
},
{
"id": "mp-1018758",
"created_at": "2022-09-04T14:46:15.351989Z",
"structure_string": "La2 Zn2 In2\n1.0\n2.405282 -4.166071 0.000000\n2.405282 4.166071 0.000000\n0.000000 0.000000 7.859499\nLa Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Zn",
"In"
],
"chemical_system": "In-La-Zn",
"density": 6.728721597636383,
"density_atomic": 0.038091995411643646,
"volume": 157.51340761124763,
"volume_molar": 15.809465203703143,
"formula_full": "La2 Zn2 In2",
"formula_reduced": "LaZnIn",
"formula_anonymous": "ABC",
"energy": -20.61894576,
"energy_per_atom": -3.43649096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.61894576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000786,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.729000Z",
"spacegroup": 194
}
]
}