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_stable&page=12188",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12186",
"results": [
{
"id": "mp-1228800",
"created_at": "2022-09-04T14:48:14.202792Z",
"structure_string": "Al2 H24 O10 F10\n1.0\n8.011860 0.000000 0.000000\n0.000000 3.734117 0.000000\n-4.254680 0.000000 13.103712\nAl H O F\n2 24 10 10\ndirect\n0.000566 0.020803 0.749987 Al\n0.000566 0.979197 0.249987 Al\n0.844713 0.765672 0.404888 H\n0.160619 0.784691 0.097168 H\n0.160619 0.215309 0.597168 H\n0.844713 0.234328 0.904888 H\n0.332995 0.224925 0.898626 H\n0.664202 0.240870 0.594444 H\n0.664202 0.759130 0.094444 H\n0.332995 0.775075 0.398626 H\n0.473064 0.455776 0.854938 H\n0.525022 0.458250 0.635499 H\n0.525022 0.541750 0.135499 H\n0.473064 0.544224 0.354938 H\n0.605697 0.799101 0.772392 H\n0.395147 0.806651 0.730678 H\n0.395147 0.193349 0.230678 H\n0.605697 0.200899 0.272392 H\n0.847078 0.792408 0.523828 H\n0.158068 0.813944 0.977128 H\n0.158068 0.186056 0.477128 H\n0.847078 0.207592 0.023828 H\n0.496788 0.479145 0.990050 H\n0.496788 0.520855 0.490050 H\n0.003759 0.514170 0.000997 H\n0.003759 0.485830 0.500997 H\n0.456344 0.323491 0.915411 O\n0.542893 0.340720 0.574837 O\n0.542893 0.659280 0.074837 O\n0.456344 0.676509 0.415411 O\n0.499327 0.647235 0.752381 O\n0.499327 0.352765 0.252381 O\n0.858803 0.625926 0.469543 O\n0.145660 0.648182 0.031827 O\n0.145660 0.351818 0.531827 O\n0.858803 0.374074 0.969543 O\n0.002433 0.523469 0.750693 F\n0.002433 0.476531 0.250693 F\n0.818488 0.022728 0.802965 F\n0.186666 0.021864 0.699360 F\n0.186666 0.978136 0.199360 F\n0.818488 0.977272 0.302965 F\n0.157465 0.033609 0.878633 F\n0.848205 0.028347 0.621728 F\n0.848205 0.971653 0.121728 F\n0.157465 0.966391 0.378633 F\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Al",
"H",
"O",
"F"
],
"chemical_system": "Al-F-H-O",
"density": 1.8134719351943605,
"density_atomic": 0.11733895578961023,
"volume": 392.02666915221573,
"volume_molar": 5.132260398496942,
"formula_full": "Al2 H24 O10 F10",
"formula_reduced": "AlH12(OF)5",
"formula_anonymous": "AB5C5D12",
"energy": -242.27480591,
"energy_per_atom": -5.266843606739131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.78480591,
"band_gap": 6.3213,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0984286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.873000Z",
"spacegroup": 7
},
{
"id": "mp-1882",
"created_at": "2022-09-04T14:48:14.205074Z",
"structure_string": "Ca1 Cu5\n1.0\n2.552829 -4.421629 0.000000\n2.552829 4.421629 0.000000\n0.000000 0.000000 4.026157\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cu"
],
"chemical_system": "Ca-Cu",
"density": 6.536938773842889,
"density_atomic": 0.06601255217746028,
"volume": 90.89180469602681,
"volume_molar": 9.122720696831708,
"formula_full": "Ca1 Cu5",
"formula_reduced": "CaCu5",
"formula_anonymous": "AB5",
"energy": -23.23329411,
"energy_per_atom": -3.872215685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.23329411,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:42.112000Z",
"spacegroup": 191
},
{
"id": "mp-771769",
"created_at": "2022-09-04T14:48:14.204949Z",
"structure_string": "Co6 Sn2 O16\n1.0\n2.837738 -4.915107 0.000000\n2.837738 4.915107 0.000000\n0.000000 0.000000 9.391170\nCo Sn O\n6 2 16\ndirect\n0.167531 0.832469 0.212811 Co\n0.167531 0.335061 0.212811 Co\n0.664939 0.832469 0.212811 Co\n0.335061 0.167531 0.712811 Co\n0.832469 0.664939 0.712811 Co\n0.832469 0.167531 0.712811 Co\n0.333333 0.666667 0.491473 Sn\n0.666667 0.333333 0.991473 Sn\n0.156528 0.843472 0.609077 O\n0.032091 0.516046 0.325341 O\n0.333333 0.666667 0.109012 O\n0.000000 0.000000 0.315973 O\n0.000000 0.000000 0.815973 O\n0.156528 0.313055 0.609077 O\n0.483954 0.967909 0.325341 O\n0.483954 0.516046 0.325341 O\n0.313055 0.156528 0.109077 O\n0.686945 0.843472 0.609077 O\n0.516046 0.483954 0.825341 O\n0.516046 0.032091 0.825341 O\n0.666667 0.333333 0.609012 O\n0.843472 0.686945 0.109077 O\n0.967909 0.483954 0.825341 O\n0.843472 0.156528 0.109077 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 5.368864511580328,
"density_atomic": 0.09161282412791247,
"volume": 261.9720571706261,
"volume_molar": 6.573469181117824,
"formula_full": "Co6 Sn2 O16",
"formula_reduced": "Co3SnO8",
"formula_anonymous": "AB3C8",
"energy": -160.4723641,
"energy_per_atom": -6.686348504166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.6523641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.530000Z",
"spacegroup": 186
},
{
"id": "mp-20121",
"created_at": "2022-09-04T14:48:14.205890Z",
"structure_string": "U4 Fe4 Si4\n1.0\n3.992577 0.000000 0.000000\n0.000000 6.390382 0.000000\n0.000000 0.000000 7.259238\nU Fe Si\n4 4 4\ndirect\n0.250000 0.840525 0.511320 U\n0.750000 0.159475 0.488680 U\n0.750000 0.340525 0.988680 U\n0.250000 0.659475 0.011320 U\n0.250000 0.441830 0.375335 Fe\n0.750000 0.558170 0.624665 Fe\n0.750000 0.941830 0.124665 Fe\n0.250000 0.058170 0.875335 Fe\n0.250000 0.383822 0.698060 Si\n0.750000 0.616178 0.301940 Si\n0.750000 0.883822 0.801940 Si\n0.250000 0.116178 0.198060 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-U",
"density": 11.54619946468847,
"density_atomic": 0.06479031481957898,
"volume": 185.21286759319347,
"volume_molar": 9.294816326745446,
"formula_full": "U4 Fe4 Si4",
"formula_reduced": "UFeSi",
"formula_anonymous": "ABC",
"energy": -105.95268733,
"energy_per_atom": -8.829390610833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.23668733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3693985,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:46.528000Z",
"spacegroup": 62
},
{
"id": "mp-1080232",
"created_at": "2022-09-04T14:48:14.208122Z",
"structure_string": "Cs2 Sr2 I6\n1.0\n2.450423 -8.226340 0.000000\n2.450423 8.226340 0.000000\n0.000000 0.000000 12.393767\nCs Sr I\n2 2 6\ndirect\n0.249928 0.750072 0.750000 Cs\n0.750072 0.249928 0.250000 Cs\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.131520 0.868480 0.448948 I\n0.868480 0.131520 0.948948 I\n0.131520 0.868480 0.051052 I\n0.868480 0.131520 0.551052 I\n0.567689 0.432311 0.750000 I\n0.432311 0.567689 0.250000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Sr",
"I"
],
"chemical_system": "Cs-I-Sr",
"density": 3.996180523974685,
"density_atomic": 0.020013311805903617,
"volume": 499.66742621029647,
"volume_molar": 30.09067573825319,
"formula_full": "Cs2 Sr2 I6",
"formula_reduced": "CsSrI3",
"formula_anonymous": "ABC3",
"energy": -33.25436342,
"energy_per_atom": -3.3254363419999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.98036342,
"band_gap": 3.959,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.535000Z",
"spacegroup": 63
},
{
"id": "mp-1025941",
"created_at": "2022-09-04T14:48:14.212025Z",
"structure_string": "Mo2 W1 Se2 S4\n1.0\n1.615481 -2.798095 0.000000\n1.615481 2.798095 0.000000\n0.000000 0.000000 29.658287\nMo W Se S\n2 1 2 4\ndirect\n0.333333 0.666667 0.115643 Mo\n0.333333 0.666667 0.578326 Mo\n0.666667 0.333333 0.346964 W\n0.666667 0.333333 0.520774 Se\n0.666667 0.333333 0.635891 Se\n0.333333 0.666667 0.399521 S\n0.666667 0.333333 0.063262 S\n0.666667 0.333333 0.168030 S\n0.333333 0.666667 0.294431 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.099218890318171,
"density_atomic": 0.0335661970915096,
"volume": 268.12688894913583,
"volume_molar": 17.941087408806492,
"formula_full": "Mo2 W1 Se2 S4",
"formula_reduced": "Mo2W(SeS2)2",
"formula_anonymous": "AB2C2D4",
"energy": -68.1022344,
"energy_per_atom": -7.566914933333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.1462344,
"band_gap": 0.7841000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.797000Z",
"spacegroup": 156
},
{
"id": "mp-1034001",
"created_at": "2022-09-04T14:48:14.213582Z",
"structure_string": "K1 Rb1 Mg14 O15\n1.0\n9.086999 0.000000 0.000000\n0.000000 8.958142 0.000000\n0.000000 0.000000 4.331517\nK Rb Mg O\n1 1 14 15\ndirect\n0.103014 0.000000 -0.000000 K\n0.953354 0.500000 -0.000000 Rb\n0.521391 0.000000 -0.000000 Mg\n0.484792 0.500000 -0.000000 Mg\n0.010934 0.249312 0.500000 Mg\n0.010934 0.750688 0.500000 Mg\n0.490337 0.236316 0.500000 Mg\n0.490337 0.763684 0.500000 Mg\n0.259244 0.000000 0.500000 Mg\n0.260384 0.500000 0.500000 Mg\n0.784766 0.000000 0.500000 Mg\n0.705305 0.500000 0.500000 Mg\n0.237252 0.284462 0.000000 Mg\n0.237252 0.715538 -0.000000 Mg\n0.768122 0.233445 0.000000 Mg\n0.768122 0.766555 -0.000000 Mg\n0.272029 0.500000 -0.000000 O\n0.737863 0.000000 -0.000000 O\n0.691196 0.500000 -0.000000 O\n0.248689 0.228376 0.500000 O\n0.248689 0.771624 0.500000 O\n0.746982 0.250838 0.500000 O\n0.746982 0.749162 0.500000 O\n0.006104 0.000000 0.500000 O\n0.052814 0.500000 0.500000 O\n0.481424 0.000000 0.500000 O\n0.482468 0.500000 0.500000 O\n0.006764 0.236083 -0.000000 O\n0.006764 0.763917 -0.000000 O\n0.467847 0.226876 0.000000 O\n0.467847 0.773124 -0.000000 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"K",
"Rb",
"Mg",
"O"
],
"chemical_system": "K-Mg-O-Rb",
"density": 3.3193515112716168,
"density_atomic": 0.08791910288790482,
"volume": 352.59686440982466,
"volume_molar": 6.849638545195478,
"formula_full": "K1 Rb1 Mg14 O15",
"formula_reduced": "KRbMg14O15",
"formula_anonymous": "ABC14D15",
"energy": -176.47905400000002,
"energy_per_atom": -5.69287270967742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.174054,
"band_gap": 3.3888,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:35.623000Z",
"spacegroup": 25
},
{
"id": "mp-1111965",
"created_at": "2022-09-04T14:48:14.214544Z",
"structure_string": "Cs2 Rb1 Ir1 F6\n1.0\n0.000000 4.724682 4.724682\n4.724682 0.000000 4.724682\n4.724682 4.724682 0.000000\nCs Rb Ir F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ir\n0.783659 0.216341 0.216341 F\n0.216341 0.216341 0.783659 F\n0.216341 0.783659 0.783659 F\n0.216341 0.783659 0.216341 F\n0.783659 0.216341 0.783659 F\n0.783659 0.783659 0.216341 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Ir",
"F"
],
"chemical_system": "Cs-F-Ir-Rb",
"density": 5.175924625848073,
"density_atomic": 0.047408067760510236,
"volume": 210.93456182430106,
"volume_molar": 12.702776224548636,
"formula_full": "Cs2 Rb1 Ir1 F6",
"formula_reduced": "Cs2RbIrF6",
"formula_anonymous": "ABC2D6",
"energy": -48.4539823,
"energy_per_atom": -4.84539823,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.6819823,
"band_gap": 2.5113,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:02.721000Z",
"spacegroup": 225
},
{
"id": "mp-1184541",
"created_at": "2022-09-04T14:48:14.272271Z",
"structure_string": "Eu6 S2\n1.0\n4.920893 -8.523236 0.000000\n4.920893 8.523236 0.000000\n0.000000 0.000000 3.824951\nEu S\n6 2\ndirect\n0.201775 0.403549 0.250000 Eu\n0.596451 0.798225 0.250000 Eu\n0.201775 0.798225 0.250000 Eu\n0.798225 0.596451 0.750000 Eu\n0.403549 0.201775 0.750000 Eu\n0.798225 0.201775 0.750000 Eu\n0.333333 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"S"
],
"chemical_system": "Eu-S",
"density": 5.050755418939101,
"density_atomic": 0.024933639716364583,
"volume": 320.8516723192,
"volume_molar": 24.15267417234523,
"formula_full": "Eu6 S2",
"formula_reduced": "Eu3S",
"formula_anonymous": "AB3",
"energy": -76.28511,
"energy_per_atom": -9.53563875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.27911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.3544057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.168000Z",
"spacegroup": 194
},
{
"id": "mp-758488",
"created_at": "2022-09-04T14:48:14.217597Z",
"structure_string": "Li2 P6 W4 O26\n1.0\n7.101596 5.420887 0.000000\n-7.101596 5.420887 0.000000\n0.000000 5.218788 7.218190\nLi P W O\n2 6 4 26\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.488282 0.511718 0.250000 P\n0.848388 0.260055 0.060325 P\n0.260055 0.848388 0.560325 P\n0.739945 0.151612 0.439675 P\n0.151612 0.739945 0.939675 P\n0.511718 0.488282 0.750000 P\n0.172060 0.338982 0.170921 W\n0.661018 0.827940 0.329079 W\n0.338982 0.172060 0.670921 W\n0.827940 0.661018 0.829079 W\n0.151579 0.599939 0.096890 O\n0.603228 0.501376 0.082290 O\n0.036976 0.299262 0.032902 O\n0.555683 0.709546 0.206559 O\n0.197727 0.143624 0.232239 O\n0.745646 0.070393 0.094199 O\n0.400061 0.848421 0.403110 O\n0.856376 0.802273 0.267761 O\n0.070393 0.745646 0.594199 O\n0.290454 0.444317 0.293441 O\n0.738894 0.261106 0.250000 O\n0.501376 0.603228 0.582290 O\n0.299262 0.036976 0.532902 O\n0.700738 0.963024 0.467098 O\n0.498624 0.396772 0.417710 O\n0.261106 0.738894 0.750000 O\n0.709546 0.555683 0.706559 O\n0.929607 0.254354 0.405801 O\n0.143624 0.197727 0.732239 O\n0.599939 0.151579 0.596890 O\n0.254354 0.929607 0.905801 O\n0.802273 0.856376 0.767761 O\n0.444317 0.290454 0.793441 O\n0.963024 0.700738 0.967098 O\n0.396772 0.498624 0.917710 O\n0.848421 0.400061 0.903110 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.036844270382357,
"density_atomic": 0.06837525748256487,
"volume": 555.7565908938578,
"volume_molar": 8.807485312264594,
"formula_full": "Li2 P6 W4 O26",
"formula_reduced": "LiP3W2O13",
"formula_anonymous": "AB2C3D13",
"energy": -308.97575937,
"energy_per_atom": -8.130941036052631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.36175937,
"band_gap": 3.3778,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.982753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:06.634000Z",
"spacegroup": 15
},
{
"id": "mp-1220151",
"created_at": "2022-09-04T14:48:14.218194Z",
"structure_string": "Ni1 Te8 Mo6\n1.0\n7.154926 0.000000 0.000000\n-0.005979 7.183097 0.000000\n-0.688707 -0.155053 7.202995\nNi Te Mo\n1 8 6\ndirect\n0.827929 0.931670 0.507218 Ni\n0.792468 0.773510 0.805907 Te\n0.205029 0.228732 0.210850 Te\n0.902592 0.255905 0.637661 Te\n0.106031 0.750845 0.374474 Te\n0.269372 0.626473 0.866732 Te\n0.731403 0.373479 0.129195 Te\n0.587883 0.887013 0.243629 Te\n0.388739 0.119486 0.739327 Te\n0.590458 0.443623 0.747439 Mo\n0.413985 0.546690 0.246326 Mo\n0.756514 0.570965 0.457667 Mo\n0.248122 0.423515 0.541808 Mo\n0.459884 0.760293 0.576971 Mo\n0.547791 0.243302 0.423198 Mo\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ni",
"Te",
"Mo"
],
"chemical_system": "Mo-Ni-Te",
"density": 7.4242418220235775,
"density_atomic": 0.04051923787891262,
"volume": 370.1945245077384,
"volume_molar": 14.862423567779135,
"formula_full": "Ni1 Te8 Mo6",
"formula_reduced": "Ni(Te4Mo3)2",
"formula_anonymous": "AB6C8",
"energy": -102.98845908,
"energy_per_atom": -6.865897272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.61245908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:11.286000Z",
"spacegroup": 1
},
{
"id": "mp-1194674",
"created_at": "2022-09-04T14:48:14.225878Z",
"structure_string": "Li4 Ga4 H32 N16\n1.0\n6.238906 0.000000 0.000000\n0.000000 14.070621 0.000000\n-5.978252 0.000000 6.947628\nLi Ga H N\n4 4 32 16\ndirect\n0.165212 0.186751 0.521329 Li\n0.165212 0.313249 0.021329 Li\n0.834788 0.813249 0.478671 Li\n0.834788 0.686751 0.978671 Li\n0.678551 0.172817 0.035151 Ga\n0.678551 0.327183 0.535151 Ga\n0.321449 0.827183 0.964849 Ga\n0.321449 0.672817 0.464849 Ga\n0.480936 0.177063 0.190854 H\n0.480936 0.322937 0.690854 H\n0.519064 0.822937 0.809146 H\n0.519064 0.677063 0.309146 H\n0.256879 0.124797 0.985453 H\n0.256879 0.375203 0.485453 H\n0.743121 0.875203 0.014547 H\n0.743121 0.624797 0.514547 H\n0.928190 0.040226 0.277096 H\n0.928190 0.459774 0.777096 H\n0.071810 0.959774 0.722904 H\n0.071810 0.540226 0.222904 H\n0.140826 0.091003 0.258125 H\n0.140826 0.408997 0.758125 H\n0.859174 0.908997 0.741875 H\n0.859174 0.591003 0.241875 H\n0.707636 0.344828 0.987428 H\n0.707636 0.155172 0.487428 H\n0.292364 0.655172 0.012572 H\n0.292364 0.844828 0.512572 H\n0.992113 0.308525 0.195400 H\n0.992113 0.191475 0.695400 H\n0.007887 0.691475 0.804600 H\n0.007887 0.808525 0.304600 H\n0.477087 0.045321 0.788306 H\n0.477087 0.454679 0.288306 H\n0.522913 0.954679 0.211694 H\n0.522913 0.545321 0.711694 H\n0.660380 0.119311 0.773699 H\n0.660380 0.380689 0.273699 H\n0.339620 0.880689 0.226301 H\n0.339620 0.619311 0.726301 H\n0.378699 0.184968 0.047839 N\n0.378699 0.315032 0.547839 N\n0.621301 0.815032 0.952161 N\n0.621301 0.684968 0.452161 N\n0.990026 0.105660 0.268054 N\n0.990026 0.394340 0.768054 N\n0.009974 0.894340 0.731946 N\n0.009974 0.605660 0.231946 N\n0.853674 0.290995 0.052408 N\n0.853674 0.209005 0.552408 N\n0.146326 0.709005 0.947592 N\n0.146326 0.790995 0.447592 N\n0.509114 0.116578 0.786376 N\n0.509114 0.383422 0.286376 N\n0.490886 0.883422 0.213624 N\n0.490886 0.616578 0.713624 N\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ga",
"H",
"N"
],
"chemical_system": "Ga-H-Li-N",
"density": 1.5328955289893456,
"density_atomic": 0.09181840890421054,
"volume": 609.899481686967,
"volume_molar": 6.5587509431606374,
"formula_full": "Li4 Ga4 H32 N16",
"formula_reduced": "LiGa(H2N)4",
"formula_anonymous": "ABC4D8",
"energy": -290.50283790000003,
"energy_per_atom": -5.1875506767857145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.7268379,
"band_gap": 3.1636,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0990441,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.585000Z",
"spacegroup": 14
}
]
}