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=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12167",
"results": [
{
"id": "mp-697676",
"created_at": "2022-09-04T14:47:17.475266Z",
"structure_string": "H4 Pb8 S2 O16\n1.0\n-6.480211 0.000000 0.000000\n-0.244914 -7.593392 0.000000\n2.007921 2.563144 10.028695\nH Pb S O\n4 8 2 16\ndirect\n0.461964 0.834405 0.700343 H\n0.538036 0.165595 0.299657 H\n0.151240 0.743302 0.677375 H\n0.848760 0.256698 0.322625 H\n0.227300 0.617918 0.974647 Pb\n0.772700 0.382082 0.025353 Pb\n0.241117 0.118041 0.994689 Pb\n0.758883 0.881959 0.005311 Pb\n0.783096 0.519108 0.679580 Pb\n0.216904 0.480892 0.320420 Pb\n0.820687 0.995481 0.680529 Pb\n0.179313 0.004519 0.319471 Pb\n0.298020 0.237495 0.674339 S\n0.701980 0.762505 0.325661 S\n0.400515 0.205068 0.259549 O\n0.599485 0.794932 0.740451 O\n0.137647 0.412909 0.093263 O\n0.862353 0.587091 0.906737 O\n0.047748 0.759610 0.735894 O\n0.952252 0.240390 0.264106 O\n0.884590 0.102011 0.912397 O\n0.115410 0.897989 0.087603 O\n0.135404 0.301035 0.761638 O\n0.864596 0.698965 0.238362 O\n0.512445 0.294663 0.756865 O\n0.487555 0.705337 0.243135 O\n0.256648 0.321226 0.559271 O\n0.743352 0.678774 0.440729 O\n0.283994 0.034489 0.628213 O\n0.716006 0.965511 0.371787 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"Pb",
"S",
"O"
],
"chemical_system": "H-O-Pb-S",
"density": 6.668513686130408,
"density_atomic": 0.060792760420266344,
"volume": 493.4798122771041,
"volume_molar": 9.906016305836989,
"formula_full": "H4 Pb8 S2 O16",
"formula_reduced": "H2Pb4SO8",
"formula_anonymous": "AB2C4D8",
"energy": -179.52353373999998,
"energy_per_atom": -5.9841177913333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.53153374,
"band_gap": 2.8007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.290000Z",
"spacegroup": 2
},
{
"id": "mp-4740",
"created_at": "2022-09-04T14:47:17.484358Z",
"structure_string": "Y1 Cr2 Si2\n1.0\n-1.927033 1.927033 5.353044\n1.927033 -1.927033 5.353044\n1.927033 1.927033 -5.353044\nY Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.615627 0.615627 0.000000 Si\n0.384373 0.384373 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Y",
"density": 5.201513780921312,
"density_atomic": 0.06288265877396837,
"volume": 79.51317736058988,
"volume_molar": 9.57679092680635,
"formula_full": "Y1 Cr2 Si2",
"formula_reduced": "Y(CrSi)2",
"formula_anonymous": "AB2C2",
"energy": -38.62004421,
"energy_per_atom": -7.724008842000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.76204421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0473249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:05.294000Z",
"spacegroup": 139
},
{
"id": "mp-733973",
"created_at": "2022-09-04T14:47:17.490854Z",
"structure_string": "Na4 H20 S8 O36\n1.0\n14.033221 0.000000 0.000000\n0.000000 7.502057 0.000000\n0.000000 2.197116 9.146509\nNa H S O\n4 20 8 36\ndirect\n0.077977 0.214290 0.695775 Na\n0.577977 0.785710 0.804225 Na\n0.922023 0.785710 0.304225 Na\n0.422023 0.214290 0.195775 Na\n0.415444 0.801045 0.214498 H\n0.915444 0.198955 0.285502 H\n0.584556 0.198955 0.785502 H\n0.084556 0.801045 0.714498 H\n0.849317 0.129822 0.746924 H\n0.349317 0.870178 0.753076 H\n0.150683 0.870178 0.253076 H\n0.650683 0.129822 0.246924 H\n0.669289 0.445910 0.963527 H\n0.169289 0.554090 0.536473 H\n0.330711 0.554090 0.036473 H\n0.830711 0.445910 0.463527 H\n0.891153 0.562276 0.753916 H\n0.391153 0.437724 0.746084 H\n0.108847 0.437724 0.246084 H\n0.608847 0.562276 0.253916 H\n0.753700 0.687322 0.499623 H\n0.253700 0.312678 0.000377 H\n0.246300 0.312678 0.500377 H\n0.746300 0.687322 0.999623 H\n0.026000 0.686970 0.653262 S\n0.526000 0.313030 0.846738 S\n0.974000 0.313030 0.346738 S\n0.474000 0.686970 0.153262 S\n0.704385 0.981461 0.454552 S\n0.204385 0.018539 0.045448 S\n0.295615 0.018539 0.545448 S\n0.795615 0.981461 0.954552 S\n0.013486 0.796186 0.499654 O\n0.513486 0.203814 0.000346 O\n0.986514 0.203814 0.500346 O\n0.486514 0.796186 0.999654 O\n0.837512 0.471613 0.779267 O\n0.337512 0.528387 0.720733 O\n0.162488 0.528387 0.220733 O\n0.662488 0.471613 0.279267 O\n0.093912 0.524881 0.661920 O\n0.593912 0.475119 0.838080 O\n0.906088 0.475119 0.338080 O\n0.406088 0.524881 0.161920 O\n0.014336 0.419887 0.018449 O\n0.514336 0.580113 0.481551 O\n0.985664 0.580113 0.981551 O\n0.485664 0.419887 0.518449 O\n0.639146 0.003051 0.307836 O\n0.139146 0.996949 0.192164 O\n0.360854 0.996949 0.692164 O\n0.860854 0.003051 0.807836 O\n0.639928 0.908026 0.576992 O\n0.139928 0.091974 0.923008 O\n0.360072 0.091974 0.423008 O\n0.860072 0.908026 0.076992 O\n0.770361 0.809202 0.434311 O\n0.270361 0.190798 0.065689 O\n0.229639 0.190798 0.565689 O\n0.729639 0.809202 0.934311 O\n0.716954 0.434974 0.049460 O\n0.216954 0.565026 0.450540 O\n0.283046 0.565026 0.950540 O\n0.783046 0.434974 0.549460 O\n0.150262 0.633082 0.327747 O\n0.650262 0.366918 0.172253 O\n0.849738 0.366918 0.672253 O\n0.349738 0.633082 0.827747 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Na",
"H",
"S",
"O"
],
"chemical_system": "H-Na-O-S",
"density": 1.6289637954651734,
"density_atomic": 0.07061806647798977,
"volume": 962.9263925145025,
"volume_molar": 8.527762172413743,
"formula_full": "Na4 H20 S8 O36",
"formula_reduced": "NaH5S2O9",
"formula_anonymous": "AB2C5D9",
"energy": -359.90986124000005,
"energy_per_atom": -5.292792077058825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.17786124,
"band_gap": 0.1529,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0002492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.718000Z",
"spacegroup": 14
},
{
"id": "mp-755173",
"created_at": "2022-09-04T14:47:17.557795Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n6.048749 1.650597 4.688737\n-0.669591 5.239389 0.047738\n-1.814067 1.857720 4.685940\nLi Fe O F\n8 2 6 2\ndirect\n0.078431 0.239382 0.971026 Li\n0.083097 0.743338 0.410735 Li\n0.285122 0.783595 0.890865 Li\n0.495750 0.253301 0.762414 Li\n0.499648 0.762291 0.263431 Li\n0.720847 0.215116 0.092467 Li\n0.918254 0.256262 0.598482 Li\n0.948138 0.739669 0.981418 Li\n0.262007 0.219155 0.332890 Fe\n0.711003 0.764985 0.695172 Fe\n0.121194 0.029031 0.704553 O\n0.103389 0.493165 0.200900 O\n0.302383 0.997940 0.122550 O\n0.508075 0.657183 0.660685 O\n0.693428 0.001937 0.884816 O\n0.889690 0.511239 0.797808 O\n0.500912 0.342532 0.330079 F\n0.878634 0.989879 0.299711 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6086342474224957,
"density_atomic": 0.0938783555915365,
"volume": 191.73748716176672,
"volume_molar": 6.414834092538067,
"formula_full": "Li8 Fe2 O6 F2",
"formula_reduced": "Li4FeO3F",
"formula_anonymous": "ABC3D4",
"energy": -104.76741414,
"energy_per_atom": -5.820411896666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.20941414,
"band_gap": 0.9188,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.593000Z",
"spacegroup": 1
},
{
"id": "mp-1044771",
"created_at": "2022-09-04T14:47:16.620568Z",
"structure_string": "Ca2 Pr2 W4 O12\n1.0\n5.636436 0.000000 0.000000\n0.000000 5.902265 0.000000\n0.000000 0.088143 8.055200\nCa Pr W O\n2 2 4 12\ndirect\n0.517595 0.804655 0.741269 Ca\n0.017595 0.195345 0.258731 Ca\n0.979876 0.307561 0.739896 Pr\n0.479876 0.692439 0.260104 Pr\n0.998972 0.751994 0.500438 W\n0.000486 0.752116 0.999539 W\n0.500486 0.247884 0.000461 W\n0.498972 0.248006 0.499562 W\n0.891717 0.786981 0.240819 O\n0.808903 0.054531 0.557528 O\n0.804889 0.042976 0.940822 O\n0.698626 0.540215 0.940442 O\n0.688952 0.554263 0.557623 O\n0.609813 0.284726 0.240616 O\n0.391717 0.213019 0.759181 O\n0.308903 0.945469 0.442472 O\n0.304889 0.957024 0.059178 O\n0.188952 0.445737 0.442377 O\n0.198626 0.459785 0.059558 O\n0.109813 0.715274 0.759384 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Pr",
"W",
"O"
],
"chemical_system": "Ca-O-Pr-W",
"density": 7.98935254304522,
"density_atomic": 0.07463291132479273,
"volume": 267.97829060912017,
"volume_molar": 8.069014933361538,
"formula_full": "Ca2 Pr2 W4 O12",
"formula_reduced": "CaPr(WO3)2",
"formula_anonymous": "ABC2D6",
"energy": -176.17039988000002,
"energy_per_atom": -8.808519994000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.17439988,
"band_gap": 1.371099999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9933507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.067000Z",
"spacegroup": 4
},
{
"id": "mp-1218831",
"created_at": "2022-09-04T14:47:16.629236Z",
"structure_string": "Sr2 Fe1 Ru1 O6\n1.0\n0.000000 3.971304 3.971304\n3.971304 0.000000 3.971304\n3.971304 3.971304 0.000000\nSr Fe Ru O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ru\n0.747919 0.747919 0.252081 O\n0.252081 0.252081 0.747919 O\n0.252081 0.747919 0.252081 O\n0.747919 0.252081 0.747919 O\n0.747919 0.252081 0.252081 O\n0.252081 0.747919 0.747919 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-O-Ru-Sr",
"density": 5.675669140451097,
"density_atomic": 0.07983082265478167,
"volume": 125.2648997899438,
"volume_molar": 7.54362858822336,
"formula_full": "Sr2 Fe1 Ru1 O6",
"formula_reduced": "Sr2FeRuO6",
"formula_anonymous": "ABC2D6",
"energy": -73.73137807,
"energy_per_atom": -7.373137807000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.35337807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8719839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.491000Z",
"spacegroup": 225
},
{
"id": "mp-1183860",
"created_at": "2022-09-04T14:47:16.635938Z",
"structure_string": "Ce1 Pr1 Hg2\n1.0\n0.000000 3.843992 3.843992\n3.843992 0.000000 3.843992\n3.843992 3.843992 0.000000\nCe Pr Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Pr",
"Hg"
],
"chemical_system": "Ce-Hg-Pr",
"density": 9.97207910652127,
"density_atomic": 0.03521134140521193,
"volume": 113.5997619053481,
"volume_molar": 17.1028439124123,
"formula_full": "Ce1 Pr1 Hg2",
"formula_reduced": "CePrHg2",
"formula_anonymous": "ABC2",
"energy": -12.81973355,
"energy_per_atom": -3.2049333875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.81973355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9410174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.427000Z",
"spacegroup": 225
},
{
"id": "mp-1185264",
"created_at": "2022-09-04T14:47:16.637205Z",
"structure_string": "La3 Eu1\n1.0\n-2.656673 2.656673 5.365037\n2.656673 -2.656673 5.365037\n2.656673 2.656673 -5.365037\nLa Eu\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Eu"
],
"chemical_system": "Eu-La",
"density": 6.234597894738222,
"density_atomic": 0.026408946365561077,
"volume": 151.46382383570784,
"volume_molar": 22.803411679661895,
"formula_full": "La3 Eu1",
"formula_reduced": "La3Eu",
"formula_anonymous": "AB3",
"energy": -24.84210672,
"energy_per_atom": -6.21052668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.84210672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5803218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.565000Z",
"spacegroup": 139
},
{
"id": "mp-3689",
"created_at": "2022-09-04T14:47:16.661565Z",
"structure_string": "Nd2 Co8 B2\n1.0\n2.549803 -4.416388 0.000000\n2.549803 4.416388 0.000000\n0.000000 0.000000 6.835725\nNd Co B\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.000000 Co\n0.500000 0.000000 0.710528 Co\n0.000000 0.500000 0.289472 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.289472 Co\n0.500000 0.500000 0.710528 Co\n0.500000 0.500000 0.289472 Co\n0.000000 0.500000 0.710528 Co\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Co",
"B"
],
"chemical_system": "B-Co-Nd",
"density": 8.430035778711025,
"density_atomic": 0.07794581791913402,
"volume": 153.95309614236865,
"volume_molar": 7.726060128392975,
"formula_full": "Nd2 Co8 B2",
"formula_reduced": "NdCo4B",
"formula_anonymous": "ABC4",
"energy": -82.35692265,
"energy_per_atom": -6.8630768875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.35692265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.001387,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.937000Z",
"spacegroup": 191
},
{
"id": "mp-1221880",
"created_at": "2022-09-04T14:47:16.670111Z",
"structure_string": "Mn2 Cu1 Sb2 Pd1\n1.0\n7.252076 -2.185270 0.000000\n7.252076 2.185270 0.000000\n6.593588 0.000000 3.727278\nMn Cu Sb Pd\n2 1 2 1\ndirect\n0.750296 0.750296 0.750296 Mn\n0.249541 0.249541 0.249541 Mn\n0.124714 0.124714 0.124714 Cu\n0.001991 0.001991 0.001991 Sb\n0.498440 0.498440 0.498440 Sb\n0.625018 0.625018 0.625018 Pd\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Sb",
"Pd"
],
"chemical_system": "Cu-Mn-Pd-Sb",
"density": 7.3563456409843075,
"density_atomic": 0.050788106121170594,
"volume": 118.13789602008708,
"volume_molar": 11.857383982053472,
"formula_full": "Mn2 Cu1 Sb2 Pd1",
"formula_reduced": "Mn2CuSb2Pd",
"formula_anonymous": "ABC2D2",
"energy": -36.4144701,
"energy_per_atom": -6.069078350000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.4144701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9821253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.678000Z",
"spacegroup": 160
},
{
"id": "mp-774712",
"created_at": "2022-09-04T14:47:16.672937Z",
"structure_string": "Li2 Cu2 S2\n1.0\n1.937133 -3.355213 0.000000\n1.937133 3.355213 0.000000\n0.000000 0.000000 6.853007\nLi Cu S\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.8232484500119215,
"density_atomic": 0.06735355819792964,
"volume": 89.08215334916682,
"volume_molar": 8.941087777876467,
"formula_full": "Li2 Cu2 S2",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy": -25.41493247,
"energy_per_atom": -4.235822078333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.408932470000003,
"band_gap": 0.6182000000000007,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.543000Z",
"spacegroup": 194
},
{
"id": "mp-1212261",
"created_at": "2022-09-04T14:47:16.676022Z",
"structure_string": "K4 Be4 Zn2 O12 F16\n1.0\n11.362166 0.000000 0.000000\n0.000000 5.850931 0.000000\n0.000000 2.313684 8.357329\nK Be Zn O F\n4 4 2 12 16\ndirect\n0.643111 0.862147 0.890314 K\n0.356889 0.137853 0.109686 K\n0.143111 0.137853 0.609686 K\n0.856889 0.862147 0.390314 K\n0.342700 0.756307 0.902572 Be\n0.657300 0.243693 0.097428 Be\n0.842700 0.243693 0.597428 Be\n0.157300 0.756307 0.402572 Be\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.380523 0.310616 0.631845 O\n0.619477 0.689384 0.368155 O\n0.880523 0.689384 0.868155 O\n0.119477 0.310616 0.131845 O\n0.119476 0.441344 0.848606 O\n0.880524 0.558656 0.151394 O\n0.619476 0.558656 0.651394 O\n0.380524 0.441344 0.348606 O\n0.441385 0.847768 0.519904 O\n0.558615 0.152232 0.480096 O\n0.941385 0.152232 0.980096 O\n0.058615 0.847768 0.019904 O\n0.298526 0.513926 0.879924 F\n0.701474 0.486074 0.120076 F\n0.798526 0.486074 0.620076 F\n0.201474 0.513926 0.379924 F\n0.080884 0.722575 0.552251 F\n0.919116 0.277425 0.447749 F\n0.580884 0.277425 0.947749 F\n0.419116 0.722575 0.052251 F\n0.430770 0.876465 0.757433 F\n0.569230 0.123535 0.242567 F\n0.930770 0.123535 0.742567 F\n0.069230 0.876465 0.257433 F\n0.239118 0.931955 0.897584 F\n0.760882 0.068045 0.102416 F\n0.739118 0.068045 0.602416 F\n0.260882 0.931955 0.397584 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Be",
"Zn",
"O",
"F"
],
"chemical_system": "Be-F-K-O-Zn",
"density": 2.4484985099056313,
"density_atomic": 0.06839588775341605,
"volume": 555.5889578771068,
"volume_molar": 8.804828707993812,
"formula_full": "K4 Be4 Zn2 O12 F16",
"formula_reduced": "K2Be2Zn(O3F4)2",
"formula_anonymous": "AB2C2D6E8",
"energy": -170.63771950999998,
"energy_per_atom": -4.4904663028947365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.00171951,
"band_gap": 0.2100999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 24.0003254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.679000Z",
"spacegroup": 14
}
]
}