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=52",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=50",
"results": [
{
"id": "mp-1175243",
"created_at": "2022-09-04T14:42:01.680699Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.968660 0.000000 0.000000\n0.121008 5.084836 0.000000\n0.852794 0.509448 14.434635\nLi Mn Co O\n7 4 1 12\ndirect\n0.001287 0.338665 0.167461 Li\n0.500911 0.167726 0.333646 Li\n0.998264 0.995170 0.499672 Li\n0.502638 0.839145 0.671809 Li\n0.000050 0.666023 0.832951 Li\n0.496738 0.494287 0.994668 Li\n0.500552 0.167271 0.832450 Li\n0.995744 0.009671 0.993219 Mn\n0.003898 0.325861 0.671247 Mn\n0.491811 0.830132 0.165202 Mn\n0.000901 0.664927 0.335939 Mn\n0.512129 0.501745 0.502673 Co\n0.475939 0.138680 0.075974 O\n0.029946 0.982180 0.251468 O\n0.531766 0.815536 0.420098 O\n0.038431 0.640982 0.581010 O\n0.482394 0.479411 0.738587 O\n0.007244 0.314236 0.923581 O\n0.464509 0.511604 0.249612 O\n0.971258 0.351597 0.419392 O\n0.523580 0.200228 0.589159 O\n0.992514 0.019628 0.740592 O\n0.517575 0.855844 0.926400 O\n0.959918 0.689451 0.083192 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.957264480846496,
"density_atomic": 0.11014582090443394,
"volume": 217.8929695464631,
"volume_molar": 5.467425555096642,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.38801452,
"energy_per_atom": -6.891167271666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.83401452,
"band_gap": 0.6255999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.000115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.879000Z",
"spacegroup": 1
},
{
"id": "mp-753343",
"created_at": "2022-09-04T14:42:01.682526Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000437 4.855271 0.000193\n2.428079 2.428009 3.861672\n14.565027 0.000994 -7.721811\nLi V Si O\n4 4 4 16\ndirect\n0.874986 0.249995 0.624957 Li\n0.625023 0.749973 0.874996 Li\n0.375090 0.249944 0.125096 Li\n0.125069 0.749978 0.375002 Li\n0.250022 0.500061 0.750010 V\n0.000117 0.999909 0.999966 V\n0.749992 0.499999 0.249941 V\n0.499957 0.999985 0.500067 V\n0.562437 0.874994 0.687481 Si\n0.312465 0.375043 0.937491 Si\n0.062474 0.875052 0.187626 Si\n0.812575 0.374931 0.437391 Si\n0.651388 0.282172 0.514118 O\n0.401517 0.782103 0.764249 O\n0.151472 0.282238 0.014257 O\n0.901245 0.782418 0.264359 O\n0.338019 0.955940 0.604852 O\n0.088064 0.456095 0.854845 O\n0.838328 0.956323 0.104926 O\n0.588167 0.455954 0.354775 O\n0.908249 0.598523 0.672218 O\n0.658198 0.098299 0.922328 O\n0.408093 0.598176 0.172454 O\n0.158456 0.098359 0.422301 O\n0.601898 0.163524 0.708513 O\n0.352101 0.663479 0.958522 O\n0.102515 0.163127 0.208816 O\n0.852082 0.663406 0.458440 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.7357450631491687,
"density_atomic": 0.07690116467787922,
"volume": 364.10371828938315,
"volume_molar": 7.831013724207329,
"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy": -221.99015892,
"energy_per_atom": -7.928219961428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.19815892,
"band_gap": 2.3507,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.246000Z",
"spacegroup": 82
},
{
"id": "mp-1206883",
"created_at": "2022-09-04T14:42:00.519198Z",
"structure_string": "K2 Co1 F6\n1.0\n0.000000 4.182197 4.182197\n4.182197 0.000000 4.182197\n4.182197 4.182197 0.000000\nK Co F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Co\n0.776698 0.223302 0.223302 F\n0.223302 0.776698 0.776698 F\n0.223302 0.776698 0.223302 F\n0.776698 0.223302 0.776698 F\n0.223302 0.223302 0.776698 F\n0.776698 0.776698 0.223302 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Co",
"F"
],
"chemical_system": "Co-F-K",
"density": 2.850278628495738,
"density_atomic": 0.061517553455310715,
"volume": 146.29970625437875,
"volume_molar": 9.789304713450235,
"formula_full": "K2 Co1 F6",
"formula_reduced": "K2CoF6",
"formula_anonymous": "AB2C6",
"energy": -43.08543768,
"energy_per_atom": -4.787270853333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.67543768,
"band_gap": 1.1713,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0054788,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.691000Z",
"spacegroup": 225
},
{
"id": "mp-1245046",
"created_at": "2022-09-04T14:42:01.699372Z",
"structure_string": "Ga50 N50\n1.0\n11.806677 0.150982 0.163350\n0.140906 11.855036 0.383672\n0.154919 0.377080 11.333906\nGa N\n50 50\ndirect\n0.041534 0.939263 0.481230 Ga\n0.056324 0.837061 0.220810 Ga\n0.825067 0.847305 0.927531 Ga\n0.197640 0.909128 0.810701 Ga\n0.161938 0.094948 0.119524 Ga\n0.233552 0.520232 0.768753 Ga\n0.609301 0.773961 0.755092 Ga\n0.934969 0.080096 0.220971 Ga\n0.352993 0.163621 0.573464 Ga\n0.453314 0.094059 0.121688 Ga\n0.414573 0.893158 0.679498 Ga\n0.327621 0.074099 0.870432 Ga\n0.530192 0.338721 0.118665 Ga\n0.796407 0.340909 0.297092 Ga\n0.121392 0.209273 0.381156 Ga\n0.687058 0.054572 0.898212 Ga\n0.215208 0.007952 0.583229 Ga\n0.503320 0.510289 0.824087 Ga\n0.146839 0.754684 0.664518 Ga\n0.901912 0.190784 0.438058 Ga\n0.784632 0.927164 0.447919 Ga\n0.488413 0.399304 0.554908 Ga\n0.897980 0.539603 0.435781 Ga\n0.865973 0.143172 0.984496 Ga\n0.325768 0.307188 0.340563 Ga\n0.368676 0.752841 0.883885 Ga\n0.933339 0.590718 0.170352 Ga\n0.090462 0.374917 0.195573 Ga\n0.538084 0.886959 0.309547 Ga\n0.676250 0.150753 0.117616 Ga\n0.888541 0.350188 0.839489 Ga\n0.764820 0.225441 0.635181 Ga\n0.504166 0.085264 0.720363 Ga\n0.003693 0.711808 0.436522 Ga\n0.333903 0.883279 0.085860 Ga\n0.014892 0.511674 0.714969 Ga\n0.753840 0.531811 0.701761 Ga\n0.873012 0.766895 0.690346 Ga\n0.895158 0.628720 0.939968 Ga\n0.772700 0.797708 0.213690 Ga\n0.677301 0.428959 0.463618 Ga\n0.731387 0.403490 0.015675 Ga\n0.007557 0.953080 0.963039 Ga\n0.330853 0.315784 0.756804 Ga\n0.584648 0.892179 0.014399 Ga\n0.394367 0.675907 0.623996 Ga\n0.277541 0.841919 0.436723 Ga\n0.634023 0.693501 0.499130 Ga\n0.611364 0.306233 0.810293 Ga\n0.651459 0.658629 0.966497 Ga\n0.601632 0.168174 0.456913 N\n0.316234 0.348647 0.961987 N\n0.396923 0.049551 0.379876 N\n0.993289 0.799019 0.581033 N\n0.120435 0.818574 0.373309 N\n0.890421 0.610836 0.759500 N\n0.484123 0.380511 0.726975 N\n0.633160 0.605601 0.790616 N\n0.753669 0.021286 0.201124 N\n0.281010 0.557916 0.116174 N\n0.575393 0.388636 0.954175 N\n0.529480 0.771762 0.919603 N\n0.173243 0.519901 0.417586 N\n0.754467 0.557219 0.525741 N\n0.043408 0.286680 0.637271 N\n0.960787 0.025285 0.712413 N\n0.072117 0.188828 0.216412 N\n0.639216 0.561748 0.278130 N\n0.374682 0.307687 0.500650 N\n0.716474 0.795026 0.056061 N\n0.110407 0.729883 0.083448 N\n0.098062 0.751490 0.983938 N\n0.272183 0.315174 0.046334 N\n0.045819 0.975699 0.129554 N\n0.377055 0.672434 0.306103 N\n0.367157 0.607985 0.803027 N\n0.756380 0.363377 0.734467 N\n0.484435 0.927445 0.147353 N\n0.404605 0.588291 0.347327 N\n0.139778 0.522356 0.933905 N\n0.590328 0.553266 0.195383 N\n0.918676 0.024516 0.400313 N\n0.713447 0.945199 0.281326 N\n0.216270 0.516061 0.504597 N\n0.306818 0.061586 0.047009 N\n0.922636 0.740774 0.253912 N\n0.357533 0.593505 0.069310 N\n0.063021 0.480032 0.982257 N\n0.095908 0.179392 0.950305 N\n0.904099 0.466640 0.287380 N\n0.699381 0.310823 0.160311 N\n0.605504 0.154912 0.360162 N\n0.371575 0.110617 0.299533 N\n0.135890 0.261504 0.638615 N\n0.907915 0.103074 0.732057 N\n0.645121 0.154071 0.757640 N\n0.756660 0.842008 0.772728 N\n0.105997 0.248957 0.877326 N\n0.407762 0.357151 0.212163 N\n0.768028 0.555309 0.024300 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.388335575388051,
"density_atomic": 0.06312497129748489,
"volume": 1584.1591361481435,
"volume_molar": 9.540029304124124,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.4648252999999,
"energy_per_atom": -5.634648252999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.4148253,
"band_gap": 0.0411999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.441000Z",
"spacegroup": 1
},
{
"id": "mp-644278",
"created_at": "2022-09-04T14:42:01.705478Z",
"structure_string": "Y2 H2 C1\n1.0\n1.835951 -3.179960 0.000000\n1.835951 3.179960 0.000000\n0.000000 0.000000 6.023862\nY H C\n2 2 1\ndirect\n0.666667 0.333333 0.774672 Y\n0.333333 0.666667 0.225328 Y\n0.666667 0.333333 0.391480 H\n0.333333 0.666667 0.608520 H\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"H",
"C"
],
"chemical_system": "C-H-Y",
"density": 4.528940514302296,
"density_atomic": 0.07108570114426721,
"volume": 70.33763358192931,
"volume_molar": 8.471662603113627,
"formula_full": "Y2 H2 C1",
"formula_reduced": "Y2H2C",
"formula_anonymous": "AB2C2",
"energy": -31.95184189,
"energy_per_atom": -6.390368378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.59384189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.702000Z",
"spacegroup": 164
},
{
"id": "mp-865879",
"created_at": "2022-09-04T14:42:01.734871Z",
"structure_string": "Li2 Ag1 Au1\n1.0\n0.000000 3.154724 3.154724\n3.154724 0.000000 3.154724\n3.154724 3.154724 0.000000\nLi Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Li",
"density": 8.42829846652872,
"density_atomic": 0.0637009466549511,
"volume": 62.79341532656962,
"volume_molar": 9.453769647443591,
"formula_full": "Li2 Ag1 Au1",
"formula_reduced": "Li2AgAu",
"formula_anonymous": "ABC2",
"energy": -11.54055005,
"energy_per_atom": -2.8851375125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.54055005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.113000Z",
"spacegroup": 225
},
{
"id": "mp-1103811",
"created_at": "2022-09-04T14:42:00.577912Z",
"structure_string": "K2 V4 Fe2 Ag4 O16\n1.0\n-5.537296 -0.001502 -0.000345\n-0.000926 -0.001204 -14.946627\n-2.769935 -4.795344 -0.000469\nK V Fe Ag O\n2 4 2 4 16\ndirect\n0.000285 0.000034 0.999644 K\n0.999684 0.499965 0.000327 K\n0.666487 0.866498 0.666873 V\n0.333393 0.633524 0.333146 V\n0.666801 0.366462 0.666738 V\n0.333387 0.133492 0.333231 V\n0.000057 0.249962 0.999986 Fe\n0.999946 0.750030 0.999997 Fe\n0.666917 0.135939 0.666348 Ag\n0.666915 0.635947 0.666387 Ag\n0.333076 0.364093 0.333690 Ag\n0.332958 0.864058 0.333618 Ag\n0.667035 0.479327 0.666721 O\n0.666685 0.979388 0.666898 O\n0.333102 0.020587 0.333253 O\n0.333205 0.520649 0.333127 O\n0.922329 0.329834 0.328702 O\n0.922024 0.829855 0.328873 O\n0.328929 0.329923 0.748924 O\n0.328732 0.829994 0.748961 O\n0.748901 0.329741 0.922275 O\n0.748609 0.829736 0.922249 O\n0.077666 0.170145 0.671454 O\n0.077845 0.670192 0.671146 O\n0.671391 0.170020 0.250989 O\n0.671169 0.670056 0.251063 O\n0.251194 0.170240 0.077642 O\n0.251281 0.670307 0.077740 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"K",
"V",
"Fe",
"Ag",
"O"
],
"chemical_system": "Ag-Fe-K-O-V",
"density": 4.524063208121492,
"density_atomic": 0.07056110666073681,
"volume": 396.8191731264383,
"volume_molar": 8.534646131550787,
"formula_full": "K2 V4 Fe2 Ag4 O16",
"formula_reduced": "KV2Fe(AgO4)2",
"formula_anonymous": "ABC2D2E8",
"energy": -197.47012825,
"energy_per_atom": -7.052504580357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.16612825,
"band_gap": 1.9738,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.87e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.672000Z",
"spacegroup": 147
},
{
"id": "mp-29526",
"created_at": "2022-09-04T14:42:01.620749Z",
"structure_string": "Br4 N4 O12\n1.0\n4.315049 0.000000 0.000000\n0.000000 7.288948 0.000000\n0.000000 0.000000 11.580252\nBr N O\n4 4 12\ndirect\n0.248865 0.984752 0.781269 Br\n0.748865 0.515248 0.218731 Br\n0.751135 0.484752 0.718731 Br\n0.251135 0.015248 0.281269 Br\n0.185921 0.988250 0.535912 N\n0.685921 0.511750 0.464088 N\n0.814079 0.488250 0.964088 N\n0.314079 0.011750 0.035912 N\n0.105850 0.900574 0.040018 O\n0.605850 0.599426 0.959982 O\n0.894150 0.400574 0.459982 O\n0.394150 0.099426 0.540018 O\n0.438594 0.091564 0.128947 O\n0.938594 0.408436 0.871053 O\n0.561406 0.591564 0.371053 O\n0.061406 0.908436 0.628947 O\n0.448235 0.071389 0.943657 O\n0.948235 0.428611 0.056343 O\n0.551765 0.571389 0.556343 O\n0.051765 0.928611 0.443657 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Br",
"N",
"O"
],
"chemical_system": "Br-N-O",
"density": 2.587915718918159,
"density_atomic": 0.054911259053264175,
"volume": 364.22402882075437,
"volume_molar": 10.967041848664397,
"formula_full": "Br4 N4 O12",
"formula_reduced": "BrNO3",
"formula_anonymous": "ABC3",
"energy": -109.99863911,
"energy_per_atom": -5.4999319555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.75463911,
"band_gap": 2.208,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.016000Z",
"spacegroup": 19
},
{
"id": "mp-2960",
"created_at": "2022-09-04T14:42:01.622606Z",
"structure_string": "Hf6 Sn6 Rh6\n1.0\n3.694241 -6.398613 0.000000\n3.694241 6.398613 0.000000\n0.000000 0.000000 7.241596\nHf Sn Rh\n6 6 6\ndirect\n0.017942 0.405870 0.750000 Hf\n0.594130 0.612072 0.750000 Hf\n0.387928 0.982058 0.750000 Hf\n0.982058 0.387928 0.250000 Hf\n0.612072 0.594130 0.250000 Hf\n0.405870 0.017942 0.250000 Hf\n0.270637 0.270637 0.500000 Sn\n0.000000 0.729363 0.500000 Sn\n0.000000 0.729363 0.000000 Sn\n0.729363 0.000000 0.500000 Sn\n0.729363 0.000000 0.000000 Sn\n0.270637 0.270637 0.000000 Sn\n0.333333 0.666667 0.463873 Rh\n0.666667 0.333333 0.536127 Rh\n0.333333 0.666667 0.036127 Rh\n0.000000 0.000000 0.750000 Rh\n0.000000 0.000000 0.250000 Rh\n0.666667 0.333333 0.963873 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"Rh"
],
"chemical_system": "Hf-Rh-Sn",
"density": 11.643928050582986,
"density_atomic": 0.05257716308135398,
"volume": 342.3539602573867,
"volume_molar": 11.453909657852382,
"formula_full": "Hf6 Sn6 Rh6",
"formula_reduced": "HfSnRh",
"formula_anonymous": "ABC",
"energy": -141.07838992,
"energy_per_atom": -7.8376883288888894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.07838992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.007000Z",
"spacegroup": 190
},
{
"id": "mp-1223863",
"created_at": "2022-09-04T14:42:00.583953Z",
"structure_string": "In1 Cu1 Te2\n1.0\n4.199107 0.000000 0.000000\n0.000000 4.199107 0.000000\n0.000000 0.000000 5.870820\nIn Cu Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Te",
"density": 6.954880370374562,
"density_atomic": 0.03864090982999559,
"volume": 103.51723128669553,
"volume_molar": 15.584883447348911,
"formula_full": "In1 Cu1 Te2",
"formula_reduced": "InCuTe2",
"formula_anonymous": "ABC2",
"energy": -14.12395109,
"energy_per_atom": -3.5309877725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.27995109,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.248000Z",
"spacegroup": 123
},
{
"id": "mp-1102974",
"created_at": "2022-09-04T14:42:01.632642Z",
"structure_string": "Hg4 O4 F4\n1.0\n5.227873 0.000000 0.000000\n0.000000 4.740502 0.000000\n0.000000 0.000000 7.263983\nHg O F\n4 4 4\ndirect\n0.782313 0.031426 0.872352 Hg\n0.717687 0.968574 0.372352 Hg\n0.282313 0.468574 0.127648 Hg\n0.217687 0.531426 0.627648 Hg\n0.440985 0.639512 0.382163 O\n0.059015 0.360488 0.882163 O\n0.940985 0.860488 0.617837 O\n0.559015 0.139512 0.117837 O\n0.539333 0.669939 0.866303 F\n0.960667 0.330061 0.366303 F\n0.039333 0.830061 0.133697 F\n0.460667 0.169939 0.633697 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O",
"density": 8.692360092473576,
"density_atomic": 0.06665873443431179,
"volume": 180.02141957593395,
"volume_molar": 9.034286070844114,
"formula_full": "Hg4 O4 F4",
"formula_reduced": "HgOF",
"formula_anonymous": "ABC",
"energy": -39.59515402,
"energy_per_atom": -3.2995961683333337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.99915402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.530000Z",
"spacegroup": 19
},
{
"id": "mp-1189287",
"created_at": "2022-09-04T14:42:01.969621Z",
"structure_string": "Er4 Ge6 Os7\n1.0\n-4.170829 4.170829 4.170829\n4.170829 -4.170829 4.170829\n4.170829 4.170829 -4.170829\nEr Ge Os\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.690166 0.690166 0.000000 Ge\n0.309834 0.000000 0.309834 Ge\n0.000000 0.309834 0.309834 Ge\n0.309834 0.309834 0.000000 Ge\n0.690166 0.000000 0.690166 Ge\n0.000000 0.690166 0.690166 Ge\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.750000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Os"
],
"chemical_system": "Er-Ge-Os",
"density": 13.940741452082454,
"density_atomic": 0.05857627850058386,
"volume": 290.2198711690186,
"volume_molar": 10.280852444287623,
"formula_full": "Er4 Ge6 Os7",
"formula_reduced": "Er4Ge6Os7",
"formula_anonymous": "A4B6C7",
"energy": -131.8977603,
"energy_per_atom": -7.75869178235294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.8977603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001177,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.718000Z",
"spacegroup": 229
}
]
}