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=-decomposes_to&page=10166",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10164",
"results": [
{
"id": "mp-1197170",
"created_at": "2022-09-04T14:46:58.984499Z",
"structure_string": "Zn24 P16\n1.0\n-5.719146 5.719146 5.719146\n5.719146 -5.719146 5.719146\n5.719146 5.719146 -5.719146\nZn P\n24 16\ndirect\n0.475556 0.227740 0.464511 Zn\n0.236772 0.272260 0.747817 Zn\n0.024444 0.488955 0.752183 Zn\n0.263228 0.011045 0.035489 Zn\n0.227740 0.464511 0.475556 Zn\n0.272260 0.747817 0.236772 Zn\n0.488955 0.752183 0.024444 Zn\n0.011045 0.035489 0.263228 Zn\n0.464511 0.475556 0.227740 Zn\n0.747817 0.236772 0.272260 Zn\n0.752183 0.024444 0.488955 Zn\n0.035489 0.263228 0.011045 Zn\n0.524444 0.772260 0.535489 Zn\n0.763228 0.727740 0.252183 Zn\n0.975556 0.511045 0.247817 Zn\n0.736772 0.988955 0.964511 Zn\n0.772260 0.535489 0.524444 Zn\n0.727740 0.252183 0.763228 Zn\n0.511045 0.247817 0.975556 Zn\n0.988955 0.964511 0.736772 Zn\n0.535489 0.524444 0.772260 Zn\n0.252183 0.763228 0.727740 Zn\n0.247817 0.975556 0.511045 Zn\n0.964511 0.736772 0.988955 Zn\n0.500000 0.000000 0.500000 P\n0.500000 0.500000 0.000000 P\n0.000000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.760237 0.250000 0.010237 P\n0.739763 0.750000 0.489763 P\n0.250000 0.010237 0.760237 P\n0.750000 0.489763 0.739763 P\n0.010237 0.760237 0.250000 P\n0.489763 0.739763 0.750000 P\n0.239763 0.750000 0.989763 P\n0.260237 0.250000 0.510237 P\n0.750000 0.989763 0.239763 P\n0.250000 0.510237 0.260237 P\n0.989763 0.239763 0.750000 P\n0.510237 0.260237 0.250000 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Zn",
"P"
],
"chemical_system": "P-Zn",
"density": 4.5835178569628505,
"density_atomic": 0.05345722980812525,
"volume": 748.261743894559,
"volume_molar": 11.265343867640263,
"formula_full": "Zn24 P16",
"formula_reduced": "Zn3P2",
"formula_anonymous": "A2B3",
"energy": -123.50733449,
"energy_per_atom": -3.08768336225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.50733449,
"band_gap": 0.3729,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001495,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.683000Z",
"spacegroup": 206
},
{
"id": "mp-622375",
"created_at": "2022-09-04T14:46:58.985888Z",
"structure_string": "Mn6 Ga12 S24\n1.0\n6.363947 -0.004282 -1.015231\n-3.196700 10.743993 -5.296226\n0.005336 -0.012809 13.065916\nMn Ga S\n6 12 24\ndirect\n0.463597 0.216415 0.433999 Mn\n0.119791 0.869389 0.740000 Mn\n0.536741 0.783839 0.564983 Mn\n0.705329 0.956889 0.912443 Mn\n0.295419 0.043265 0.086997 Mn\n0.878227 0.127776 0.257278 Mn\n0.293428 0.671963 0.919357 Ga\n0.453880 0.833127 0.252181 Ga\n0.300874 0.417519 0.250820 Ga\n0.710395 0.328805 0.080448 Ga\n0.034144 0.887255 0.402468 Ga\n0.129437 0.246067 0.918467 Ga\n0.969971 0.115602 0.599694 Ga\n0.872426 0.518240 0.402289 Ga\n0.130786 0.485739 0.598396 Ga\n0.550945 0.166220 0.748566 Ga\n0.702054 0.581100 0.748247 Ga\n0.871197 0.750878 0.080739 Ga\n0.746673 0.743425 0.237414 S\n0.257234 0.256538 0.764459 S\n0.426632 0.414045 0.603215 S\n0.670931 0.150193 0.088203 S\n0.596104 0.591030 0.918165 S\n0.079638 0.059969 0.910521 S\n0.010684 0.508027 0.764342 S\n0.256106 0.238607 0.263779 S\n0.824852 0.325679 0.918081 S\n0.991994 0.492652 0.235771 S\n0.917053 0.911749 0.569064 S\n0.922051 0.936888 0.087507 S\n0.086536 0.090454 0.433092 S\n0.404804 0.406888 0.080697 S\n0.331927 0.849517 0.910257 S\n0.845436 0.345334 0.433138 S\n0.570658 0.584649 0.399133 S\n0.496520 0.975165 0.736200 S\n0.324697 0.810494 0.397006 S\n0.508950 0.024755 0.264667 S\n0.743363 0.760033 0.735618 S\n0.158037 0.659123 0.567661 S\n0.180337 0.675141 0.081770 S\n0.671385 0.185029 0.600137 S\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"S"
],
"chemical_system": "Ga-Mn-S",
"density": 3.6006477739871556,
"density_atomic": 0.047044182733133336,
"volume": 892.777758267215,
"volume_molar": 12.801031732577195,
"formula_full": "Mn6 Ga12 S24",
"formula_reduced": "Mn(GaS2)2",
"formula_anonymous": "AB2C4",
"energy": -229.25137504,
"energy_per_atom": -5.458366072380953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.17937504,
"band_gap": 0.5617000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.9968626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.073000Z",
"spacegroup": 2
},
{
"id": "mp-1188323",
"created_at": "2022-09-04T14:46:58.987484Z",
"structure_string": "Ti8 O12\n1.0\n2.854986 0.000000 0.000000\n0.000000 7.880405 0.000000\n0.000000 0.000000 8.208305\nTi O\n8 12\ndirect\n0.250000 0.029941 0.684005 Ti\n0.250000 0.529941 0.815995 Ti\n0.750000 0.970059 0.315995 Ti\n0.750000 0.470059 0.184005 Ti\n0.250000 0.195936 0.018297 Ti\n0.250000 0.695936 0.481703 Ti\n0.750000 0.804064 0.981703 Ti\n0.750000 0.304064 0.518297 Ti\n0.250000 0.943240 0.125097 O\n0.250000 0.443240 0.374903 O\n0.750000 0.056760 0.874903 O\n0.750000 0.556760 0.625097 O\n0.250000 0.120835 0.446667 O\n0.250000 0.620835 0.053333 O\n0.750000 0.879165 0.553333 O\n0.750000 0.379165 0.946667 O\n0.250000 0.792028 0.810738 O\n0.250000 0.292028 0.689262 O\n0.750000 0.207972 0.189262 O\n0.750000 0.707972 0.310738 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.1696025590006265,
"density_atomic": 0.10829888603359776,
"volume": 184.67410637811514,
"volume_molar": 5.560667316681116,
"formula_full": "Ti8 O12",
"formula_reduced": "Ti2O3",
"formula_anonymous": "A2B3",
"energy": -188.11913229,
"energy_per_atom": -9.4059566145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.87513229,
"band_gap": 0.1162999999999989,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.673000Z",
"spacegroup": 62
},
{
"id": "mp-626470",
"created_at": "2022-09-04T14:46:58.991512Z",
"structure_string": "Al8 H24 O24\n1.0\n4.940310 0.000000 0.000000\n0.000000 9.002045 0.000000\n0.000000 8.877959 9.703787\nAl H O\n8 24 24\ndirect\n0.027878 0.835804 0.499785 Al\n0.472122 0.835804 0.999785 Al\n0.972122 0.164196 0.500215 Al\n0.527878 0.164196 0.000215 Al\n0.524874 0.660900 0.499905 Al\n0.975126 0.660900 0.999905 Al\n0.475126 0.339100 0.500095 Al\n0.024874 0.339100 0.000095 Al\n0.601437 0.775056 0.623271 H\n0.898563 0.775056 0.123271 H\n0.398563 0.224944 0.376729 H\n0.101437 0.224944 0.876729 H\n0.160354 0.110691 0.702358 H\n0.339646 0.110691 0.202358 H\n0.839646 0.889309 0.297642 H\n0.660354 0.889309 0.797642 H\n0.837926 0.372110 0.604718 H\n0.662074 0.372110 0.104718 H\n0.162074 0.627890 0.395282 H\n0.337926 0.627890 0.895282 H\n0.124860 0.799916 0.704960 H\n0.375140 0.799916 0.204960 H\n0.875140 0.200084 0.295040 H\n0.624860 0.200084 0.795040 H\n0.225661 0.494569 0.704932 H\n0.274339 0.494569 0.204932 H\n0.774339 0.505431 0.295068 H\n0.725661 0.505431 0.795068 H\n0.503969 0.993658 0.611478 H\n0.996031 0.993658 0.111478 H\n0.496031 0.006342 0.388522 H\n0.003969 0.006342 0.888522 H\n0.713605 0.696725 0.613165 O\n0.786395 0.696725 0.113165 O\n0.286395 0.303275 0.386835 O\n0.213605 0.303275 0.886835 O\n0.143677 0.221710 0.600803 O\n0.356323 0.221710 0.100803 O\n0.856323 0.778290 0.399197 O\n0.643677 0.778290 0.899197 O\n0.641294 0.387827 0.607620 O\n0.858706 0.387827 0.107620 O\n0.358706 0.612173 0.392380 O\n0.141294 0.612173 0.892380 O\n0.148716 0.906311 0.602910 O\n0.351284 0.906311 0.102910 O\n0.851284 0.093689 0.397090 O\n0.648716 0.093689 0.897090 O\n0.211098 0.589590 0.603485 O\n0.288902 0.589590 0.103485 O\n0.788902 0.410410 0.396515 O\n0.711098 0.410410 0.896515 O\n0.644740 0.070305 0.612544 O\n0.855260 0.070305 0.112544 O\n0.355260 0.929695 0.387456 O\n0.144740 0.929695 0.887456 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4011365824412154,
"density_atomic": 0.12976315341990544,
"volume": 431.55548030485596,
"volume_molar": 4.640871157402232,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy": -344.26447774,
"energy_per_atom": -6.147579959642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.77647774,
"band_gap": 4.9815000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.596000Z",
"spacegroup": 14
},
{
"id": "mp-1048116",
"created_at": "2022-09-04T14:46:58.995242Z",
"structure_string": "Ba2 Co3 O8\n1.0\n3.846696 0.000000 0.000000\n0.000000 3.846696 0.000000\n0.000000 0.000000 12.177581\nBa Co O\n2 3 8\ndirect\n0.500000 0.500000 0.172361 Ba\n0.500000 0.500000 0.827639 Ba\n0.000000 0.000000 0.336241 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.663759 Co\n0.000000 0.500000 0.348004 O\n0.500000 0.000000 0.348004 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.169703 O\n0.000000 0.500000 0.651996 O\n0.500000 0.000000 0.651996 O\n0.000000 0.000000 0.830297 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Co",
"O"
],
"chemical_system": "Ba-Co-O",
"density": 5.339829561692667,
"density_atomic": 0.07214505911138594,
"volume": 180.19251990533527,
"volume_molar": 8.347267067454084,
"formula_full": "Ba2 Co3 O8",
"formula_reduced": "Ba2Co3O8",
"formula_anonymous": "A2B3C8",
"energy": -84.36712596,
"energy_per_atom": -6.48977892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.95712596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.6936256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.260000Z",
"spacegroup": 123
},
{
"id": "mp-643643",
"created_at": "2022-09-04T14:46:58.995997Z",
"structure_string": "Ba4 H8 C4 S4 N4 Cl4 O4\n1.0\n4.820108 0.000000 0.000000\n0.000000 5.917678 0.000000\n0.000000 0.000000 20.418475\nBa H C S N Cl O\n4 8 4 4 4 4 4\ndirect\n0.250000 0.761826 0.082592 Ba\n0.250000 0.261826 0.417408 Ba\n0.750000 0.238174 0.917408 Ba\n0.750000 0.738174 0.582592 Ba\n0.087654 0.888449 0.243255 H\n0.412346 0.388449 0.256745 H\n0.587654 0.111551 0.756745 H\n0.912346 0.611551 0.743255 H\n0.912346 0.111551 0.756745 H\n0.587654 0.611551 0.743255 H\n0.412346 0.888449 0.243255 H\n0.087654 0.388449 0.256745 H\n0.750000 0.194643 0.144388 C\n0.750000 0.694643 0.355612 C\n0.250000 0.805357 0.855612 C\n0.250000 0.305357 0.644388 C\n0.750000 0.458387 0.168838 S\n0.750000 0.958387 0.331162 S\n0.250000 0.541613 0.831162 S\n0.250000 0.041613 0.668838 S\n0.750000 0.003318 0.127513 N\n0.750000 0.503318 0.372487 N\n0.250000 0.996682 0.872487 N\n0.250000 0.496682 0.627513 N\n0.250000 0.262087 0.021084 Cl\n0.250000 0.762087 0.478916 Cl\n0.750000 0.737913 0.978916 Cl\n0.750000 0.237913 0.521084 Cl\n0.250000 0.853610 0.215960 O\n0.250000 0.353610 0.284040 O\n0.750000 0.146390 0.784040 O\n0.750000 0.646390 0.715960 O\n",
"nsites": 32,
"nelements": 7,
"elements": [
"Ba",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Ba-C-Cl-H-N-O-S",
"density": 2.8383348946671045,
"density_atomic": 0.05494378528636879,
"volume": 582.4134582867737,
"volume_molar": 10.960549457254185,
"formula_full": "Ba4 H8 C4 S4 N4 Cl4 O4",
"formula_reduced": "BaH2CSNClO",
"formula_anonymous": "ABCDEFG2",
"energy": -191.73275138,
"energy_per_atom": -5.991648480625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.07275138,
"band_gap": 4.8714,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007038,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.532000Z",
"spacegroup": 62
},
{
"id": "mp-1200759",
"created_at": "2022-09-04T14:46:59.016551Z",
"structure_string": "Ba12 Ge4 S20\n1.0\n8.742500 0.000000 0.000000\n0.000000 9.668421 0.000000\n0.000000 0.000000 12.210125\nBa Ge S\n12 4 20\ndirect\n0.922642 0.518861 0.318441 Ba\n0.577358 0.981139 0.818441 Ba\n0.077358 0.018861 0.681559 Ba\n0.422642 0.481139 0.181559 Ba\n0.077358 0.481139 0.681559 Ba\n0.422642 0.018861 0.181559 Ba\n0.922642 0.981139 0.318441 Ba\n0.577358 0.518861 0.818441 Ba\n0.388037 0.750000 0.479797 Ba\n0.111963 0.750000 0.979797 Ba\n0.611963 0.250000 0.520203 Ba\n0.888037 0.250000 0.020203 Ba\n0.693617 0.750000 0.099721 Ge\n0.806383 0.750000 0.599721 Ge\n0.306383 0.250000 0.900279 Ge\n0.193617 0.250000 0.400279 Ge\n0.820173 0.559559 0.056803 S\n0.679827 0.940441 0.556803 S\n0.179827 0.059559 0.943197 S\n0.320173 0.440441 0.443197 S\n0.179827 0.440441 0.943197 S\n0.320173 0.059559 0.443197 S\n0.820173 0.940441 0.056803 S\n0.679827 0.559559 0.556803 S\n0.480178 0.750000 0.002172 S\n0.019822 0.750000 0.502172 S\n0.519822 0.250000 0.997828 S\n0.980178 0.250000 0.497828 S\n0.650005 0.750000 0.279990 S\n0.849995 0.750000 0.779990 S\n0.349995 0.250000 0.720010 S\n0.150005 0.250000 0.220010 S\n0.181011 0.750000 0.233478 S\n0.318989 0.750000 0.733478 S\n0.818989 0.250000 0.766522 S\n0.681011 0.250000 0.266522 S\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"S"
],
"chemical_system": "Ba-Ge-S",
"density": 4.150698025031976,
"density_atomic": 0.034881182286379334,
"volume": 1032.075108705749,
"volume_molar": 17.264726609773113,
"formula_full": "Ba12 Ge4 S20",
"formula_reduced": "Ba3GeS5",
"formula_anonymous": "AB3C5",
"energy": -191.29973572,
"energy_per_atom": -5.313881547777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.23973572,
"band_gap": 2.0632,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053307,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.083000Z",
"spacegroup": 62
},
{
"id": "mp-1191683",
"created_at": "2022-09-04T14:46:59.023622Z",
"structure_string": "Ce7 Zr1 O16\n1.0\n7.679714 0.000000 0.000000\n0.000000 7.679714 0.000000\n0.000000 0.000000 5.426109\nCe Zr O\n7 1 16\ndirect\n0.247014 0.247014 0.500000 Ce\n0.500000 0.000000 0.000000 Ce\n0.752986 0.247014 0.500000 Ce\n0.000000 0.500000 0.000000 Ce\n0.247014 0.752986 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.752986 0.752986 0.500000 Ce\n0.000000 0.000000 0.000000 Zr\n0.000000 0.241717 0.242971 O\n0.241717 0.000000 0.242971 O\n0.241717 0.000000 0.757029 O\n0.000000 0.241717 0.757029 O\n0.500000 0.247842 0.250648 O\n0.758283 0.000000 0.242971 O\n0.758283 0.000000 0.757029 O\n0.500000 0.247842 0.749352 O\n0.000000 0.758283 0.242971 O\n0.247842 0.500000 0.250648 O\n0.247842 0.500000 0.749352 O\n0.000000 0.758283 0.757029 O\n0.500000 0.752158 0.250648 O\n0.752158 0.500000 0.250648 O\n0.752158 0.500000 0.749352 O\n0.500000 0.752158 0.749352 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.890919853216123,
"density_atomic": 0.07499505612771593,
"volume": 320.0210952456414,
"volume_molar": 8.03005034057758,
"formula_full": "Ce7 Zr1 O16",
"formula_reduced": "Ce7ZrO16",
"formula_anonymous": "AB7C16",
"energy": -222.66046713,
"energy_per_atom": -9.27751946375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.66846713,
"band_gap": 1.8269,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.868000Z",
"spacegroup": 123
},
{
"id": "mp-1224056",
"created_at": "2022-09-04T14:46:59.098702Z",
"structure_string": "Ho3 Sc2 S7\n1.0\n1.866571 6.183536 0.000000\n-1.866571 6.183536 0.000000\n0.000000 2.839567 11.024981\nHo Sc S\n3 2 7\ndirect\n0.698741 0.698741 0.187485 Ho\n0.301669 0.301669 0.809262 Ho\n0.888315 0.888315 0.425412 Ho\n0.112043 0.112043 0.579481 Sc\n0.000483 0.000483 0.997473 Sc\n0.034630 0.034630 0.209047 S\n0.968050 0.968050 0.784666 S\n0.735191 0.735191 0.647418 S\n0.254221 0.254221 0.356810 S\n0.346552 0.346552 0.048003 S\n0.654761 0.654762 0.950457 S\n0.505344 0.505344 0.504485 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Sc",
"S"
],
"chemical_system": "Ho-S-Sc",
"density": 5.279503240389441,
"density_atomic": 0.04715111781089453,
"volume": 254.50085930364375,
"volume_molar": 12.771999985562484,
"formula_full": "Ho3 Sc2 S7",
"formula_reduced": "Ho3Sc2S7",
"formula_anonymous": "A2B3C7",
"energy": -83.08174942,
"energy_per_atom": -6.923479118333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.56074942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0156104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.200000Z",
"spacegroup": 8
},
{
"id": "mp-545646",
"created_at": "2022-09-04T14:46:59.100439Z",
"structure_string": "Na4 Co2 Ge2 O8\n1.0\n5.685549 0.000000 0.000000\n0.000000 5.407090 0.000000\n0.000000 5.409696 7.228652\nNa Co Ge O\n4 2 2 8\ndirect\n0.322906 0.239497 0.749042 Na\n0.177935 0.500032 0.992811 Na\n0.822065 0.500032 0.492811 Na\n0.677094 0.239497 0.249042 Na\n0.186168 0.001789 0.500391 Co\n0.813832 0.001789 0.000391 Co\n0.685002 0.760437 0.746369 Ge\n0.314998 0.760437 0.246369 Ge\n0.153422 0.876035 0.044071 O\n0.205416 0.414154 0.451575 O\n0.707429 0.062263 0.772226 O\n0.618033 0.703094 0.220316 O\n0.381967 0.703094 0.720316 O\n0.846578 0.876035 0.544071 O\n0.292571 0.062263 0.272226 O\n0.794584 0.414154 0.951575 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Na-O",
"density": 3.6098853751667885,
"density_atomic": 0.07199903239655846,
"volume": 222.22520869273234,
"volume_molar": 8.364196794800062,
"formula_full": "Na4 Co2 Ge2 O8",
"formula_reduced": "Na2CoGeO4",
"formula_anonymous": "ABC2D4",
"energy": -99.39762747,
"energy_per_atom": -6.212351716875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.62562747,
"band_gap": 1.9531,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0112378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.156000Z",
"spacegroup": 7
},
{
"id": "mp-1192098",
"created_at": "2022-09-04T14:46:59.123598Z",
"structure_string": "Dy6 Fe2 B14\n1.0\n1.711263 -7.850831 0.000000\n1.711263 7.850831 0.000000\n0.000000 0.000000 9.308622\nDy Fe B\n6 2 14\ndirect\n0.895257 0.104743 0.440066 Dy\n0.104743 0.895257 0.559934 Dy\n0.895257 0.104743 0.059934 Dy\n0.104743 0.895257 0.940066 Dy\n0.243104 0.756896 0.250000 Dy\n0.756896 0.243104 0.750000 Dy\n0.054440 0.945560 0.250000 Fe\n0.945560 0.054440 0.750000 Fe\n0.727163 0.272837 0.467175 B\n0.272837 0.727163 0.532825 B\n0.727163 0.272837 0.032825 B\n0.272837 0.727163 0.967175 B\n0.629642 0.370358 0.153331 B\n0.370358 0.629642 0.846669 B\n0.629642 0.370358 0.346669 B\n0.370358 0.629642 0.653331 B\n0.521613 0.478387 0.098954 B\n0.478387 0.521613 0.901046 B\n0.521613 0.478387 0.401046 B\n0.478387 0.521613 0.598954 B\n0.459674 0.540326 0.250000 B\n0.540326 0.459674 0.750000 B\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"B"
],
"chemical_system": "B-Dy-Fe",
"density": 8.219348548579989,
"density_atomic": 0.08795790993756515,
"volume": 250.11963126018094,
"volume_molar": 6.846616483127754,
"formula_full": "Dy6 Fe2 B14",
"formula_reduced": "Dy3FeB7",
"formula_anonymous": "AB3C7",
"energy": -151.15572947,
"energy_per_atom": -6.870714975909092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.15572947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037097,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.130000Z",
"spacegroup": 63
},
{
"id": "mp-1226064",
"created_at": "2022-09-04T14:46:59.124737Z",
"structure_string": "Co2 Ni2 S8\n1.0\n5.566879 0.000000 0.000000\n0.000000 5.559190 0.000000\n0.000000 0.034962 5.585265\nCo Ni S\n2 2 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.606288 0.106240 0.113897 S\n0.106288 0.393760 0.886103 S\n0.385392 0.614737 0.394402 S\n0.885392 0.885263 0.605598 S\n0.393712 0.893760 0.886103 S\n0.893712 0.606240 0.113897 S\n0.614608 0.385263 0.605598 S\n0.114608 0.114737 0.394402 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Ni",
"S"
],
"chemical_system": "Co-Ni-S",
"density": 4.724402202628646,
"density_atomic": 0.06942472422520425,
"volume": 172.84908415442388,
"volume_molar": 8.674345958458552,
"formula_full": "Co2 Ni2 S8",
"formula_reduced": "CoNiS4",
"formula_anonymous": "ABC4",
"energy": -66.33921148,
"energy_per_atom": -5.528267623333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.31521148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2683009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.002000Z",
"spacegroup": 14
}
]
}