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=-energy_above_hull&page=12189",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12187",
"results": [
{
"id": "mp-570031",
"created_at": "2022-09-04T14:47:20.418636Z",
"structure_string": "Sr1 Cr2 As2\n1.0\n-2.052132 2.052132 6.130737\n2.052132 -2.052132 6.130737\n2.052132 2.052132 -6.130737\nSr Cr As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.358447 0.358447 0.000000 As\n0.641553 0.641553 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"As"
],
"chemical_system": "As-Cr-Sr",
"density": 5.4903473389080455,
"density_atomic": 0.04841575870175397,
"volume": 103.27216043025396,
"volume_molar": 12.438389734005831,
"formula_full": "Sr1 Cr2 As2",
"formula_reduced": "Sr(CrAs)2",
"formula_anonymous": "AB2C2",
"energy": -32.54902152,
"energy_per_atom": -6.509804303999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.54902152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6499888,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.402000Z",
"spacegroup": 139
},
{
"id": "mp-770625",
"created_at": "2022-09-04T14:47:20.434979Z",
"structure_string": "Li8 Al6 Cr6 Sb4 O32\n1.0\n5.865794 0.009570 0.024331\n-2.903042 -5.052792 9.555588\n-0.016577 -10.140296 -0.024458\nLi Al Cr Sb O\n8 6 6 4 32\ndirect\n0.954981 0.904811 0.713412 Li\n0.454979 0.904803 0.213418 Li\n0.489687 0.985917 0.508130 Li\n0.989682 0.985912 0.008125 Li\n0.241886 0.489566 0.756154 Li\n0.741887 0.489571 0.256155 Li\n0.205246 0.407528 0.129077 Li\n0.705241 0.407520 0.629080 Li\n0.851952 0.214762 0.977747 Al\n0.351937 0.214762 0.477751 Al\n0.358632 0.714413 0.812739 Al\n0.858630 0.714408 0.312743 Al\n0.603007 0.714430 0.057061 Al\n0.102999 0.714428 0.557059 Al\n0.112963 0.713649 0.057798 Cr\n0.361815 0.213663 0.977291 Cr\n0.608137 0.213645 0.223622 Cr\n0.612912 0.713641 0.557808 Cr\n0.861787 0.213649 0.477282 Cr\n0.108157 0.213639 0.723630 Cr\n0.745556 0.488491 0.921974 Sb\n0.245577 0.488487 0.421968 Sb\n0.495847 0.985650 0.839519 Sb\n0.995853 0.985652 0.339517 Sb\n0.449069 0.344253 0.068904 O\n0.949073 0.344260 0.568900 O\n0.570623 0.110929 0.106154 O\n0.070612 0.110945 0.606149 O\n0.135220 0.303585 0.853743 O\n0.635213 0.303590 0.353727 O\n0.385744 0.797927 0.605428 O\n0.885748 0.797924 0.105428 O\n0.790132 0.090939 0.372958 O\n0.290142 0.090940 0.872957 O\n0.051185 0.601391 0.782459 O\n0.551190 0.601391 0.282461 O\n0.321516 0.614032 0.021466 O\n0.821513 0.614026 0.521473 O\n0.645994 0.840170 0.837945 O\n0.145989 0.840163 0.337954 O\n0.540699 0.598294 0.786204 O\n0.040701 0.598294 0.286203 O\n0.791875 0.598310 0.037352 O\n0.291869 0.598309 0.537355 O\n0.674641 0.342354 0.845705 O\n0.174645 0.342361 0.345702 O\n0.897578 0.342347 0.068636 O\n0.397586 0.342353 0.568635 O\n0.201683 0.840405 0.835486 O\n0.701676 0.840397 0.335492 O\n0.427415 0.840424 0.061187 O\n0.927410 0.840421 0.561193 O\n0.042499 0.097978 0.116040 O\n0.542505 0.097989 0.616034 O\n0.298218 0.097989 0.371740 O\n0.798226 0.097997 0.871735 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Al",
"Cr",
"Sb",
"O"
],
"chemical_system": "Al-Cr-Li-O-Sb",
"density": 4.454088758894499,
"density_atomic": 0.0982780679682476,
"volume": 569.8117714126502,
"volume_molar": 6.127654810985577,
"formula_full": "Li8 Al6 Cr6 Sb4 O32",
"formula_reduced": "Li4Al3Cr3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -415.95220952,
"energy_per_atom": -7.427718027142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -381.97420952,
"band_gap": 2.5052000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.704000Z",
"spacegroup": 8
},
{
"id": "mp-759135",
"created_at": "2022-09-04T14:47:20.364950Z",
"structure_string": "Li2 Ni8 P6 O24\n1.0\n3.190761 -7.389433 0.000000\n3.190761 7.389433 0.000000\n0.000000 0.000000 9.925312\nLi Ni P O\n2 8 6 24\ndirect\n0.022076 0.977924 0.253939 Li\n0.977924 0.022076 0.753939 Li\n0.625868 0.374132 0.439880 Ni\n0.053660 0.452653 0.250372 Ni\n0.547347 0.946340 0.250372 Ni\n0.631972 0.368028 0.061997 Ni\n0.374132 0.625868 0.939880 Ni\n0.452653 0.053660 0.750372 Ni\n0.946340 0.547347 0.750372 Ni\n0.368028 0.631972 0.561997 Ni\n0.184854 0.815146 0.463365 P\n0.478825 0.521175 0.204651 P\n0.184884 0.815116 0.034759 P\n0.815146 0.184854 0.963365 P\n0.521175 0.478825 0.704651 P\n0.815116 0.184884 0.534759 P\n0.324331 0.060133 0.423419 O\n0.939867 0.675669 0.423419 O\n0.280815 0.719185 0.387097 O\n0.785236 0.214764 0.380893 O\n0.227210 0.362211 0.253301 O\n0.637789 0.772790 0.253301 O\n0.578389 0.421611 0.252436 O\n0.784217 0.215783 0.117255 O\n0.280259 0.719741 0.112456 O\n0.324367 0.060630 0.074174 O\n0.939370 0.675633 0.074174 O\n0.488335 0.511665 0.048513 O\n0.060133 0.324331 0.923419 O\n0.675669 0.939867 0.923419 O\n0.719185 0.280815 0.887097 O\n0.214764 0.785236 0.880893 O\n0.421611 0.578389 0.752436 O\n0.772790 0.637789 0.753301 O\n0.362211 0.227210 0.753301 O\n0.215783 0.784217 0.617255 O\n0.719741 0.280259 0.612456 O\n0.675633 0.939370 0.574174 O\n0.060630 0.324367 0.574174 O\n0.511665 0.488334 0.548513 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.7368361089666804,
"density_atomic": 0.08546345328793906,
"volume": 468.0363179947113,
"volume_molar": 7.04645146939068,
"formula_full": "Li2 Ni8 P6 O24",
"formula_reduced": "LiNi4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -287.38481709,
"energy_per_atom": -7.1846204272500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.56881709000004,
"band_gap": 2.8931,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.999899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.472000Z",
"spacegroup": 36
},
{
"id": "mp-1209103",
"created_at": "2022-09-04T14:47:20.378335Z",
"structure_string": "Rb1 N1\n1.0\n3.622975 0.000000 0.000000\n0.000000 3.622975 0.000000\n0.000000 0.000000 3.622975\nRb N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"N"
],
"chemical_system": "N-Rb",
"density": 3.4734803842905704,
"density_atomic": 0.04205658296050837,
"volume": 47.5549809141181,
"volume_molar": 14.319139445196633,
"formula_full": "Rb1 N1",
"formula_reduced": "RbN",
"formula_anonymous": "AB",
"energy": -6.838875799999999,
"energy_per_atom": -3.4194378999999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.4778758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0017085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.332000Z",
"spacegroup": 221
},
{
"id": "mp-770376",
"created_at": "2022-09-04T14:47:20.378270Z",
"structure_string": "Mn4 P8 O26\n1.0\n3.576225 -8.034474 0.000000\n3.576225 8.034474 0.000000\n0.000000 0.000000 8.258852\nMn P O\n4 8 26\ndirect\n0.584915 0.875708 0.137145 Mn\n0.124292 0.415085 0.362855 Mn\n0.875708 0.584915 0.862855 Mn\n0.415085 0.124292 0.637145 Mn\n0.721680 0.840595 0.779004 P\n0.159405 0.278320 0.720996 P\n0.058163 0.386108 0.007732 P\n0.613892 0.941837 0.492268 P\n0.386108 0.058163 0.992268 P\n0.941837 0.613892 0.507732 P\n0.278320 0.159405 0.279004 P\n0.840595 0.721680 0.220996 P\n0.253833 0.309300 0.313457 O\n0.690700 0.746167 0.186543 O\n0.938921 0.061079 0.750000 O\n0.208948 0.380443 0.893805 O\n0.619557 0.791052 0.606195 O\n0.155290 0.402465 0.598534 O\n0.597535 0.844710 0.901466 O\n0.891884 0.179774 0.080724 O\n0.820226 0.108116 0.419276 O\n0.461312 0.792810 0.358075 O\n0.207190 0.538688 0.141925 O\n0.527556 0.001260 0.609686 O\n0.998740 0.472444 0.890314 O\n0.472444 0.998740 0.109686 O\n0.001260 0.527556 0.390314 O\n0.538688 0.207190 0.858075 O\n0.792810 0.461312 0.641925 O\n0.108116 0.820226 0.580724 O\n0.179774 0.891884 0.919276 O\n0.844710 0.597535 0.098534 O\n0.402465 0.155290 0.401466 O\n0.380443 0.208948 0.106195 O\n0.791052 0.619557 0.393805 O\n0.061079 0.938921 0.250000 O\n0.309300 0.253833 0.686543 O\n0.746167 0.690700 0.813457 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.0912690110569203,
"density_atomic": 0.0800666453771765,
"volume": 474.60462244908956,
"volume_molar": 7.521410109829141,
"formula_full": "Mn4 P8 O26",
"formula_reduced": "Mn2P4O13",
"formula_anonymous": "A2B4C13",
"energy": -301.95600457,
"energy_per_atom": -7.9462106465789475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.42200457,
"band_gap": 0.7345999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0033394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.839000Z",
"spacegroup": 20
},
{
"id": "mp-30212",
"created_at": "2022-09-04T14:47:20.379880Z",
"structure_string": "La10 Bi6 Br2\n1.0\n4.915775 -8.514372 0.000000\n4.915775 8.514372 0.000000\n0.000000 0.000000 6.871728\nLa Bi Br\n10 6 2\ndirect\n0.727658 0.000000 0.750000 La\n0.000000 0.272342 0.250000 La\n0.727658 0.727658 0.250000 La\n0.333333 0.666667 0.500000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.500000 La\n0.666667 0.333333 0.000000 La\n0.272342 0.000000 0.250000 La\n0.272342 0.272342 0.750000 La\n0.000000 0.727658 0.750000 La\n0.383484 0.000000 0.750000 Bi\n0.616516 0.000000 0.250000 Bi\n0.000000 0.616516 0.250000 Bi\n0.616516 0.616516 0.750000 Bi\n0.000000 0.383484 0.750000 Bi\n0.383484 0.383484 0.250000 Bi\n0.000000 0.000000 0.500000 Br\n0.000000 0.000000 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-La",
"density": 8.090812291054222,
"density_atomic": 0.03129189982112475,
"volume": 575.2287366025772,
"volume_molar": 19.24504678343158,
"formula_full": "La10 Bi6 Br2",
"formula_reduced": "La5Bi3Br",
"formula_anonymous": "AB3C5",
"energy": -96.59354143,
"energy_per_atom": -5.366307857222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.52554143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0185224,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.078000Z",
"spacegroup": 193
},
{
"id": "mp-1217293",
"created_at": "2022-09-04T14:47:20.383209Z",
"structure_string": "Te2 Mo2 Se2\n1.0\n1.719630 -2.978487 0.000000\n1.719630 2.978487 0.000000\n0.000000 0.000000 14.244811\nTe Mo Se\n2 2 2\ndirect\n0.333333 0.666667 0.874754 Te\n0.666667 0.333333 0.125246 Te\n0.333333 0.666667 0.256254 Mo\n0.666667 0.333333 0.743746 Mo\n0.666667 0.333333 0.369836 Se\n0.333333 0.666667 0.630164 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Te",
"density": 6.8847323779536636,
"density_atomic": 0.04111817602244078,
"volume": 145.92086956205017,
"volume_molar": 14.645933605404426,
"formula_full": "Te2 Mo2 Se2",
"formula_reduced": "TeMoSe",
"formula_anonymous": "ABC",
"energy": -39.43554492,
"energy_per_atom": -6.572590819999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.64754492,
"band_gap": 0.7892000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.506000Z",
"spacegroup": 164
},
{
"id": "mp-1105266",
"created_at": "2022-09-04T14:47:20.387485Z",
"structure_string": "Sr4 Yb2 Ta2 O12\n1.0\n5.846824 0.000000 -0.004550\n0.000000 5.963015 0.000000\n0.010051 0.000000 8.318342\nSr Yb Ta O\n4 2 2 12\ndirect\n0.490242 0.543184 0.248831 Sr\n0.990242 0.956816 0.748831 Sr\n0.509758 0.456816 0.751169 Sr\n0.009758 0.043184 0.251169 Sr\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.225763 0.807014 0.457723 O\n0.725763 0.692986 0.957723 O\n0.774237 0.192986 0.542277 O\n0.274237 0.307014 0.042277 O\n0.188108 0.773692 0.048606 O\n0.688108 0.726308 0.548606 O\n0.811892 0.226308 0.951394 O\n0.311892 0.273692 0.451394 O\n0.587185 0.970815 0.268024 O\n0.087185 0.529185 0.768024 O\n0.412815 0.029185 0.731976 O\n0.912815 0.470815 0.231976 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Yb",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta-Yb",
"density": 7.159650540488921,
"density_atomic": 0.06896153067205657,
"volume": 290.0167644930779,
"volume_molar": 8.732608892685427,
"formula_full": "Sr4 Yb2 Ta2 O12",
"formula_reduced": "Sr2YbTaO6",
"formula_anonymous": "ABC2D6",
"energy": -158.90341814,
"energy_per_atom": -7.9451709070000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.65941814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0004048,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.637000Z",
"spacegroup": 14
},
{
"id": "mp-504948",
"created_at": "2022-09-04T14:47:20.388341Z",
"structure_string": "Li4 Sc4 Ge4 O16\n1.0\n5.024106 0.000000 0.000000\n0.000000 6.057078 0.000000\n0.000000 0.000000 10.771108\nLi Sc Ge O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.996241 0.750000 0.271845 Sc\n0.496241 0.250000 0.228155 Sc\n0.003759 0.250000 0.728155 Sc\n0.503759 0.750000 0.771845 Sc\n0.550307 0.750000 0.090068 Ge\n0.050307 0.250000 0.409932 Ge\n0.449693 0.250000 0.909932 Ge\n0.949693 0.750000 0.590068 Ge\n0.203629 0.750000 0.097150 O\n0.703629 0.250000 0.402850 O\n0.796371 0.250000 0.902850 O\n0.296371 0.750000 0.597150 O\n0.800474 0.750000 0.441879 O\n0.300474 0.250000 0.058121 O\n0.199526 0.250000 0.558121 O\n0.699526 0.750000 0.941879 O\n0.714938 0.970234 0.173121 O\n0.214938 0.029766 0.326879 O\n0.285062 0.470234 0.826879 O\n0.785062 0.529766 0.673121 O\n0.285062 0.029766 0.826879 O\n0.785062 0.970234 0.673121 O\n0.714938 0.529766 0.173121 O\n0.214938 0.470234 0.326879 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Sc",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Sc",
"density": 3.8204771754649456,
"density_atomic": 0.08542317138348443,
"volume": 327.7799166961562,
"volume_molar": 7.049774273733309,
"formula_full": "Li4 Sc4 Ge4 O16",
"formula_reduced": "LiScGeO4",
"formula_anonymous": "ABCD4",
"energy": -211.15331416,
"energy_per_atom": -7.541189791428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.16131416,
"band_gap": 3.8025,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.019000Z",
"spacegroup": 62
},
{
"id": "mp-1520445",
"created_at": "2022-09-04T14:47:20.392043Z",
"structure_string": "Sr1 Pr1 Eu1 Ni1 O6\n1.0\n-0.000000 -4.053163 -4.053163\n4.053163 -0.000000 -4.053163\n4.053163 -4.053163 0.000000\nSr Pr Eu Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ni\n0.731176 0.268824 0.268824 O\n0.268824 0.731176 0.731176 O\n0.731176 0.268824 0.731176 O\n0.268824 0.731176 0.268824 O\n0.731176 0.731176 0.268824 O\n0.268824 0.268824 0.731176 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Ni",
"O"
],
"chemical_system": "Eu-Ni-O-Pr-Sr",
"density": 6.6732584534830774,
"density_atomic": 0.07509098409263414,
"volume": 133.17177981931556,
"volume_molar": 8.019792033316456,
"formula_full": "Sr1 Pr1 Eu1 Ni1 O6",
"formula_reduced": "SrPrEuNiO6",
"formula_anonymous": "ABCDE6",
"energy": -76.60849813,
"energy_per_atom": -7.6608498130000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.94549813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.636000Z",
"spacegroup": 216
},
{
"id": "mp-753886",
"created_at": "2022-09-04T14:47:20.393157Z",
"structure_string": "Li2 Cr4 P4 O16\n1.0\n6.244375 0.000000 0.000000\n1.026703 6.281088 0.000000\n2.701439 0.362614 9.137793\nLi Cr P O\n2 4 4 16\ndirect\n0.327743 0.574366 0.672050 Li\n0.672257 0.425634 0.327950 Li\n0.067364 0.016732 0.715240 Cr\n0.665285 0.807788 0.046699 Cr\n0.334715 0.192212 0.953301 Cr\n0.932636 0.983268 0.284760 Cr\n0.190295 0.720905 0.986620 P\n0.273513 0.824712 0.385792 P\n0.726487 0.175288 0.614208 P\n0.809705 0.279095 0.013380 P\n0.261120 0.490518 0.022283 O\n0.065823 0.722148 0.378626 O\n0.220677 0.046951 0.306366 O\n0.034717 0.187811 0.897642 O\n0.367644 0.863875 0.992297 O\n0.269789 0.845959 0.549225 O\n0.152476 0.752146 0.831643 O\n0.507570 0.706227 0.309743 O\n0.492430 0.293773 0.690257 O\n0.847524 0.247854 0.168357 O\n0.730211 0.154041 0.450775 O\n0.632356 0.136125 0.007703 O\n0.965283 0.812189 0.102358 O\n0.779323 0.953049 0.693634 O\n0.934177 0.277852 0.621374 O\n0.738880 0.509482 0.977717 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.7880551492999253,
"density_atomic": 0.072545115740095,
"volume": 358.3976637813818,
"volume_molar": 8.301235305179365,
"formula_full": "Li2 Cr4 P4 O16",
"formula_reduced": "LiCr2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -208.26067467,
"energy_per_atom": -8.010025948846152,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.27267467,
"band_gap": 1.0178000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9993297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.044000Z",
"spacegroup": 2
},
{
"id": "mp-1184199",
"created_at": "2022-09-04T14:47:20.395076Z",
"structure_string": "Eu2 Ag1 Pb1\n1.0\n0.000000 3.927276 3.927276\n3.927276 0.000000 3.927276\n3.927276 3.927276 0.000000\nEu Ag Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Ag",
"Pb"
],
"chemical_system": "Ag-Eu-Pb",
"density": 8.484628158959497,
"density_atomic": 0.03301837722892082,
"volume": 121.14465748172496,
"volume_molar": 18.238754491923373,
"formula_full": "Eu2 Ag1 Pb1",
"formula_reduced": "Eu2AgPb",
"formula_anonymous": "ABC2",
"energy": -28.91174479,
"energy_per_atom": -7.2279361975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.91174479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.813975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.013000Z",
"spacegroup": 225
}
]
}