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_gap_direct&page=33",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=31",
"results": [
{
"id": "mp-1215598",
"created_at": "2022-09-04T14:41:50.940161Z",
"structure_string": "Zr4 Se6\n1.0\n5.664202 3.265235 0.000000\n-5.664202 3.265235 0.000000\n0.000000 2.205376 6.354128\nZr Se\n4 6\ndirect\n0.170777 0.829223 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.829223 0.170777 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.260449 0.260449 0.243220 Se\n0.579746 0.921521 0.235903 Se\n0.921521 0.579746 0.235903 Se\n0.078479 0.420254 0.764097 Se\n0.420254 0.078479 0.764097 Se\n0.739551 0.739551 0.756780 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 5.925074630518145,
"density_atomic": 0.04254620899488714,
"volume": 235.03856715416688,
"volume_molar": 14.154353354311056,
"formula_full": "Zr4 Se6",
"formula_reduced": "Zr2Se3",
"formula_anonymous": "A2B3",
"energy": -71.56344268,
"energy_per_atom": -7.156344268,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.73144268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.771000Z",
"spacegroup": 12
},
{
"id": "mp-28770",
"created_at": "2022-09-04T14:41:51.475347Z",
"structure_string": "Ca4 Fe2 N4\n1.0\n2.482201 5.437594 0.000000\n-2.482201 5.437594 0.000000\n0.000000 3.496236 5.731500\nCa Fe N\n4 2 4\ndirect\n0.318976 0.318976 0.602215 Ca\n0.681024 0.681024 0.397785 Ca\n0.958847 0.958847 0.775432 Ca\n0.041153 0.041153 0.224568 Ca\n0.626821 0.626821 0.870702 Fe\n0.373179 0.373179 0.129298 Fe\n0.809317 0.809317 0.620286 N\n0.190683 0.190683 0.379714 N\n0.519310 0.519310 0.196224 N\n0.480690 0.480690 0.803776 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 3.52061922608248,
"density_atomic": 0.06463354604582829,
"volume": 154.7184180937484,
"volume_molar": 9.317360919250838,
"formula_full": "Ca4 Fe2 N4",
"formula_reduced": "Ca2FeN2",
"formula_anonymous": "AB2C2",
"energy": -66.91165066,
"energy_per_atom": -6.691165066000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.46765066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0008651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.014000Z",
"spacegroup": 12
},
{
"id": "mp-707976",
"created_at": "2022-09-04T14:41:51.478442Z",
"structure_string": "K4 H8 Se4 N4 O12\n1.0\n7.441434 0.000000 0.000000\n0.000000 7.636957 0.000000\n0.000000 0.912965 8.133219\nK H Se N O\n4 8 4 4 12\ndirect\n0.124717 0.384779 0.353087 K\n0.624717 0.115221 0.646913 K\n0.875283 0.615221 0.646913 K\n0.375283 0.884779 0.353087 K\n0.676324 0.384557 0.972964 H\n0.176324 0.115443 0.027036 H\n0.323676 0.615443 0.027036 H\n0.823676 0.884557 0.972964 H\n0.827166 0.273766 0.101627 H\n0.327166 0.226234 0.898373 H\n0.172834 0.726234 0.898373 H\n0.672834 0.773766 0.101627 H\n0.605888 0.404873 0.250008 Se\n0.105888 0.095127 0.749992 Se\n0.394112 0.595127 0.749992 Se\n0.894112 0.904873 0.250008 Se\n0.757689 0.391267 0.075359 N\n0.257689 0.108733 0.924641 N\n0.242311 0.608733 0.924641 N\n0.742311 0.891267 0.075359 N\n0.458785 0.240588 0.274058 O\n0.958785 0.259412 0.725942 O\n0.541215 0.759412 0.725942 O\n0.041215 0.740588 0.274058 O\n0.741207 0.403233 0.411032 O\n0.241207 0.096767 0.588968 O\n0.258793 0.596767 0.588968 O\n0.758793 0.903233 0.411032 O\n0.497765 0.595985 0.204453 O\n0.997765 0.904015 0.795547 O\n0.502235 0.404015 0.795547 O\n0.002235 0.095985 0.204453 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"K",
"H",
"Se",
"N",
"O"
],
"chemical_system": "H-K-N-O-Se",
"density": 2.6165539456906193,
"density_atomic": 0.06923258255710728,
"volume": 462.2101157876703,
"volume_molar": 8.698419931153904,
"formula_full": "K4 H8 Se4 N4 O12",
"formula_reduced": "KH2SeNO3",
"formula_anonymous": "ABCD2E3",
"energy": -172.66885609,
"energy_per_atom": -5.3959017528125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.98085609,
"band_gap": 3.6477,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.470000Z",
"spacegroup": 14
},
{
"id": "mp-1246848",
"created_at": "2022-09-04T14:41:51.481900Z",
"structure_string": "Sr6 Cu2 N6\n1.0\n7.575567 0.000644 0.000000\n-3.787232 6.559522 0.000000\n0.000000 0.000000 5.386219\nSr Cu N\n6 2 6\ndirect\n0.924047 0.638846 0.250000 Sr\n0.714196 0.075886 0.250000 Sr\n0.360522 0.285022 0.250000 Sr\n0.075953 0.361154 0.750000 Sr\n0.285804 0.924114 0.750000 Sr\n0.639478 0.714978 0.750000 Sr\n0.666263 0.333343 0.750000 Cu\n0.333737 0.666657 0.250000 Cu\n0.901512 0.595257 0.750000 N\n0.693784 0.098438 0.750000 N\n0.404045 0.305785 0.750000 N\n0.098488 0.404743 0.250000 N\n0.306216 0.901562 0.250000 N\n0.595955 0.694215 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"N"
],
"chemical_system": "Cu-N-Sr",
"density": 4.571269463372725,
"density_atomic": 0.05230405695710351,
"volume": 267.6656614128789,
"volume_molar": 11.513716354620408,
"formula_full": "Sr6 Cu2 N6",
"formula_reduced": "Sr3CuN3",
"formula_anonymous": "AB3C3",
"energy": -74.61527054999999,
"energy_per_atom": -5.329662182142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.44927055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.00169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.908000Z",
"spacegroup": 176
},
{
"id": "mp-754986",
"created_at": "2022-09-04T14:41:51.484218Z",
"structure_string": "Mn2 P4 W2 O16\n1.0\n-0.119670 -0.000142 5.034442\n10.295743 -0.000169 -0.253612\n-0.000104 6.052566 -0.000173\nMn P W O\n2 4 2 16\ndirect\n0.052928 0.724307 0.750007 Mn\n0.946687 0.275689 0.250436 Mn\n0.406272 0.087246 0.249984 P\n0.593797 0.912750 0.749971 P\n0.888741 0.400590 0.749999 P\n0.111352 0.599420 0.249952 P\n0.445124 0.217134 0.750020 W\n0.554879 0.782871 0.249962 W\n0.691509 0.056087 0.749992 O\n0.308526 0.944010 0.249985 O\n0.705498 0.105066 0.250000 O\n0.294749 0.894889 0.749950 O\n0.181292 0.367254 0.749989 O\n0.818755 0.632763 0.249988 O\n0.146371 0.455455 0.249944 O\n0.853601 0.544512 0.749983 O\n0.276720 0.161326 0.047344 O\n0.276709 0.161332 0.452657 O\n0.723254 0.838645 0.547325 O\n0.723249 0.838652 0.952623 O\n0.730880 0.326222 0.945055 O\n0.730871 0.326219 0.554905 O\n0.269106 0.673786 0.054885 O\n0.269131 0.673775 0.445043 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"P",
"W",
"O"
],
"chemical_system": "Mn-O-P-W",
"density": 4.541082716641106,
"density_atomic": 0.0765450371690292,
"volume": 313.5409020313418,
"volume_molar": 7.8674476918754594,
"formula_full": "Mn2 P4 W2 O16",
"formula_reduced": "MnP2WO8",
"formula_anonymous": "ABC2D8",
"energy": -203.91023006,
"energy_per_atom": -8.496259585833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.70623006,
"band_gap": 2.2835,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.716000Z",
"spacegroup": 11
},
{
"id": "mp-1232237",
"created_at": "2022-09-04T14:41:51.487020Z",
"structure_string": "Sc2 Se4\n1.0\n3.950852 0.000000 0.000000\n0.000000 3.950852 0.000000\n0.000000 0.000000 7.933309\nSc Se\n2 4\ndirect\n0.000000 0.500000 0.726776 Sc\n0.500000 0.000000 0.273224 Sc\n0.000000 0.500000 0.373310 Se\n0.500000 0.000000 0.626690 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Se"
],
"chemical_system": "Sc-Se",
"density": 5.440936853953471,
"density_atomic": 0.0484524071227874,
"volume": 123.83285694753793,
"volume_molar": 12.428981587516956,
"formula_full": "Sc2 Se4",
"formula_reduced": "ScSe2",
"formula_anonymous": "AB2",
"energy": -36.1551721,
"energy_per_atom": -6.025862016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.2671721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.450000Z",
"spacegroup": 129
},
{
"id": "mp-1222289",
"created_at": "2022-09-04T14:41:51.491368Z",
"structure_string": "Li1 Tb1 W2 O8\n1.0\n-2.614354 2.614354 5.621521\n2.614354 -2.614354 5.621521\n2.614354 2.614354 -5.621521\nLi Tb W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Tb\n0.500000 0.500000 0.000000 W\n0.250000 0.750000 0.500000 W\n0.430840 0.834856 0.086106 O\n0.748749 0.344734 0.913894 O\n0.087877 0.669567 0.086657 O\n0.582910 0.001221 0.913343 O\n0.330433 0.417090 0.418310 O\n0.998780 0.912123 0.581690 O\n0.655266 0.569160 0.404016 O\n0.165144 0.251251 0.595984 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Tb",
"W",
"O"
],
"chemical_system": "Li-O-Tb-W",
"density": 7.147655434155317,
"density_atomic": 0.07807978889913243,
"volume": 153.68894011102194,
"volume_molar": 7.712803588364868,
"formula_full": "Li1 Tb1 W2 O8",
"formula_reduced": "LiTb(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -103.18827677000002,
"energy_per_atom": -8.599023064166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.81627677,
"band_gap": 4.0822,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.436000Z",
"spacegroup": 82
},
{
"id": "mp-1357678",
"created_at": "2022-09-04T14:41:51.495206Z",
"structure_string": "Ca3 Cr6 Fe4 O24\n1.0\n6.841753 0.000000 0.000000\n-1.997956 8.388338 0.000000\n-2.921400 -3.332235 8.962904\nCa Cr Fe O\n3 6 4 24\ndirect\n0.000000 0.500000 0.500000 Ca\n0.285063 0.302726 0.789770 Ca\n0.714937 0.697274 0.210230 Ca\n0.780672 0.342019 0.735576 Cr\n0.219328 0.657981 0.264424 Cr\n0.894165 0.903157 0.668926 Cr\n0.397634 0.740945 0.865218 Cr\n0.105835 0.096843 0.331074 Cr\n0.602366 0.259055 0.134782 Cr\n0.379430 0.954965 0.603173 Fe\n0.620570 0.045035 0.396827 Fe\n0.042208 0.211238 0.024808 Fe\n0.957792 0.788762 0.975192 Fe\n0.842484 0.699565 0.579531 O\n0.157516 0.300435 0.420469 O\n0.256807 0.537959 0.735613 O\n0.743193 0.462041 0.264387 O\n0.780829 0.285394 0.553311 O\n0.219171 0.714606 0.446689 O\n0.668947 0.961074 0.576555 O\n0.331053 0.038926 0.423445 O\n0.648423 0.741934 0.980815 O\n0.351577 0.258066 0.019185 O\n0.463987 0.786897 0.279023 O\n0.536013 0.213103 0.720977 O\n0.127840 0.015539 0.650317 O\n0.065385 0.046426 0.140783 O\n0.934615 0.953574 0.859217 O\n0.562348 0.123959 0.230866 O\n0.437652 0.876041 0.769134 O\n0.176880 0.449627 0.182178 O\n0.823120 0.550373 0.817822 O\n0.985279 0.287623 0.850018 O\n0.014721 0.712377 0.149982 O\n0.238247 0.789792 0.962202 O\n0.761753 0.210208 0.037798 O\n0.872160 0.984461 0.349683 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Fe",
"O"
],
"chemical_system": "Ca-Cr-Fe-O",
"density": 3.355933666606009,
"density_atomic": 0.07192993475175857,
"volume": 514.389455901674,
"volume_molar": 8.372231645674848,
"formula_full": "Ca3 Cr6 Fe4 O24",
"formula_reduced": "Ca3Cr6(FeO6)4",
"formula_anonymous": "A3B4C6D24",
"energy": -290.52405989,
"energy_per_atom": -7.852001618648648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -253.01805989,
"band_gap": 0.5525999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9996507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.309000Z",
"spacegroup": 2
},
{
"id": "mp-17661",
"created_at": "2022-09-04T14:41:51.555899Z",
"structure_string": "Rb2 Nd2 P8 O24\n1.0\n6.546075 4.033157 0.000000\n-6.546075 4.033157 0.000000\n0.000000 3.902714 10.093302\nRb Nd P O\n2 2 8 24\ndirect\n0.307489 0.692511 0.250000 Rb\n0.692511 0.307489 0.750000 Rb\n0.622798 0.377202 0.250000 Nd\n0.377202 0.622798 0.750000 Nd\n0.805489 0.751954 0.450502 P\n0.248046 0.194511 0.049498 P\n0.194511 0.248046 0.549497 P\n0.751954 0.805489 0.950503 P\n0.206769 0.880674 0.511016 P\n0.119326 0.793231 0.988984 P\n0.793231 0.119326 0.488984 P\n0.880674 0.206769 0.011016 P\n0.640808 0.664079 0.090619 O\n0.335921 0.359192 0.409381 O\n0.359192 0.335921 0.909381 O\n0.664079 0.640808 0.590619 O\n0.330304 0.248462 0.159331 O\n0.751538 0.669696 0.340669 O\n0.669696 0.751538 0.840669 O\n0.248462 0.330304 0.659331 O\n0.011182 0.142401 0.089779 O\n0.857599 0.988818 0.410221 O\n0.988818 0.857599 0.910221 O\n0.142401 0.011182 0.589779 O\n0.295010 0.810873 0.888124 O\n0.189127 0.704990 0.611877 O\n0.704990 0.189127 0.111876 O\n0.810873 0.295010 0.388124 O\n0.014162 0.399213 0.895599 O\n0.600787 0.985838 0.604401 O\n0.985838 0.600787 0.104401 O\n0.399213 0.014162 0.395599 O\n0.778602 0.027380 0.944927 O\n0.972620 0.221398 0.555073 O\n0.221398 0.972620 0.055073 O\n0.027380 0.778602 0.444927 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Nd",
"P",
"O"
],
"chemical_system": "Nd-O-P-Rb",
"density": 3.399869237548047,
"density_atomic": 0.06754809914087234,
"volume": 532.9535613566502,
"volume_molar": 8.915337125091789,
"formula_full": "Rb2 Nd2 P8 O24",
"formula_reduced": "RbNd(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -278.55222045,
"energy_per_atom": -7.737561679166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.06422045,
"band_gap": 5.284000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.62e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.818000Z",
"spacegroup": 15
},
{
"id": "mp-756277",
"created_at": "2022-09-04T14:41:51.556995Z",
"structure_string": "Er6 Ta2 O14\n1.0\n-6.349783 0.000000 0.000000\n0.865592 6.380360 0.000000\n-0.047707 -2.196077 -7.223905\nEr Ta O\n6 2 14\ndirect\n0.736567 0.460897 0.115087 Er\n0.732496 0.458300 0.608583 Er\n0.544589 0.993169 0.749553 Er\n0.455411 0.006831 0.250447 Er\n0.267504 0.541700 0.391417 Er\n0.263433 0.539103 0.884913 Er\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.707232 0.065201 0.480225 O\n0.922976 0.679186 0.959940 O\n0.706579 0.072790 0.051729 O\n0.931694 0.665692 0.385602 O\n0.903840 0.938875 0.734066 O\n0.558187 0.349376 0.833393 O\n0.542522 0.361142 0.342790 O\n0.457478 0.638858 0.657210 O\n0.441813 0.650624 0.166607 O\n0.096160 0.061125 0.265934 O\n0.068306 0.334308 0.614398 O\n0.293421 0.927210 0.948271 O\n0.077024 0.320814 0.040060 O\n0.292768 0.934799 0.519775 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Ta",
"O"
],
"chemical_system": "Er-O-Ta",
"density": 9.01815122885613,
"density_atomic": 0.0751703525889085,
"volume": 292.6685753399823,
"volume_molar": 8.011324348754718,
"formula_full": "Er6 Ta2 O14",
"formula_reduced": "Er3TaO7",
"formula_anonymous": "AB3C7",
"energy": -205.91146612,
"energy_per_atom": -9.359612096363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.29346612000003,
"band_gap": 3.3568,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.547000Z",
"spacegroup": 2
},
{
"id": "mp-861954",
"created_at": "2022-09-04T14:41:51.645811Z",
"structure_string": "Li1 Ta1 Ru2\n1.0\n0.000000 3.060095 3.060095\n3.060095 0.000000 3.060095\n3.060095 3.060095 0.000000\nLi Ta Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ta",
"Ru"
],
"chemical_system": "Li-Ru-Ta",
"density": 11.300850766668706,
"density_atomic": 0.06979515368005706,
"volume": 57.31056941770072,
"volume_molar": 8.628307901728624,
"formula_full": "Li1 Ta1 Ru2",
"formula_reduced": "LiTaRu2",
"formula_anonymous": "ABC2",
"energy": -33.12711466,
"energy_per_atom": -8.281778665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.12711466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.243000Z",
"spacegroup": 225
},
{
"id": "mp-1100986",
"created_at": "2022-09-04T14:41:51.736246Z",
"structure_string": "Tm4 Cu2 O8\n1.0\n7.701098 0.052171 -0.098142\n3.876013 3.877760 -0.099044\n-1.346928 -1.351113 5.831897\nTm Cu O\n4 2 8\ndirect\n0.019861 0.657240 0.311171 Tm\n0.519526 0.303337 0.688790 Tm\n0.480453 0.696695 0.311207 Tm\n0.980121 0.342770 0.688830 Tm\n0.000008 0.999986 0.999996 Cu\n0.500007 0.999993 0.000008 Cu\n0.194918 0.121970 0.033005 O\n0.252049 0.251535 0.526219 O\n0.305159 0.511672 0.033154 O\n0.247830 0.755747 0.526389 O\n0.752148 0.244277 0.473604 O\n0.694875 0.488288 0.966836 O\n0.747929 0.748490 0.473788 O\n0.805116 0.878000 0.967003 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Cu",
"O"
],
"chemical_system": "Cu-O-Tm",
"density": 8.988727038800237,
"density_atomic": 0.0814159583796434,
"volume": 171.9564601170432,
"volume_molar": 7.396757195829716,
"formula_full": "Tm4 Cu2 O8",
"formula_reduced": "Tm2CuO4",
"formula_anonymous": "AB2C4",
"energy": -109.91294245,
"energy_per_atom": -7.850924460714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.41694245,
"band_gap": 0.2054,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.168000Z",
"spacegroup": 14
}
]
}