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=-chemical_system&page=60",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=58",
"results": [
{
"id": "mp-672705",
"created_at": "2022-09-04T14:44:18.222311Z",
"structure_string": "Yb2 S4\n1.0\n2.162163 4.369753 0.000000\n-2.162163 4.369753 0.000000\n0.000000 3.949165 6.928285\nYb S\n2 4\ndirect\n0.865940 0.134060 0.250000 Yb\n0.134060 0.865940 0.750000 Yb\n0.211272 0.471163 0.528441 S\n0.528837 0.788728 0.971559 S\n0.788728 0.528837 0.471559 S\n0.471163 0.211272 0.028441 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.0164150122469895,
"density_atomic": 0.04583003510585158,
"volume": 130.91851197892535,
"volume_molar": 13.140161787113911,
"formula_full": "Yb2 S4",
"formula_reduced": "YbS2",
"formula_anonymous": "AB2",
"energy": -30.09913818,
"energy_per_atom": -5.01652303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.08713818,
"band_gap": 1.2298999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038868,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.610000Z",
"spacegroup": 15
},
{
"id": "mp-16479",
"created_at": "2022-09-04T14:42:50.745176Z",
"structure_string": "Yb2 S4\n1.0\n0.000000 3.917303 3.917303\n3.917303 0.000000 3.917303\n3.917303 3.917303 0.000000\nYb S\n2 4\ndirect\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.125000 0.125000 0.625000 S\n0.125000 0.625000 0.125000 S\n0.125000 0.125000 0.125000 S\n0.625000 0.125000 0.125000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.551599718848554,
"density_atomic": 0.0499068040524313,
"volume": 120.22408795595275,
"volume_molar": 12.06677300688947,
"formula_full": "Yb2 S4",
"formula_reduced": "YbS2",
"formula_anonymous": "AB2",
"energy": -23.62673888,
"energy_per_atom": -3.9377898133333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.61473888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0424014,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.367000Z",
"spacegroup": 227
},
{
"id": "mp-1215747",
"created_at": "2022-09-04T14:39:12.107172Z",
"structure_string": "Yb4 S7\n1.0\n-2.694470 2.694470 8.019635\n2.694470 -2.694470 8.019635\n2.694470 2.694470 -8.019635\nYb S\n4 7\ndirect\n0.611376 0.611376 0.503983 Yb\n0.107392 0.107392 0.496017 Yb\n0.388624 0.892608 0.000000 Yb\n0.892608 0.388624 0.000000 Yb\n0.430739 0.430739 0.504217 S\n0.926522 0.926522 0.495783 S\n0.569261 0.073478 0.000000 S\n0.073478 0.569261 0.000000 S\n0.000000 0.000000 0.000000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.535438895155134,
"density_atomic": 0.04723146169925713,
"volume": 232.89560822914385,
"volume_molar": 12.750273955833805,
"formula_full": "Yb4 S7",
"formula_reduced": "Yb4S7",
"formula_anonymous": "A4B7",
"energy": -52.52008855000001,
"energy_per_atom": -4.774553504545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.99908855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.044000Z",
"spacegroup": 121
},
{
"id": "mp-16789",
"created_at": "2022-09-04T14:43:13.139080Z",
"structure_string": "Yb12 S18\n1.0\n4.085891 0.000000 0.000000\n0.000000 11.478086 0.000000\n0.000000 4.488797 15.081125\nYb S\n12 18\ndirect\n0.750000 0.512307 0.887540 Yb\n0.250000 0.487693 0.112460 Yb\n0.750000 0.506485 0.623475 Yb\n0.250000 0.493515 0.376525 Yb\n0.750000 0.089091 0.326265 Yb\n0.250000 0.910909 0.673735 Yb\n0.750000 0.797971 0.244103 Yb\n0.250000 0.202029 0.755897 Yb\n0.750000 0.210376 0.546251 Yb\n0.250000 0.789624 0.453749 Yb\n0.750000 0.219235 0.987431 Yb\n0.250000 0.780765 0.012569 Yb\n0.750000 0.973863 0.029668 S\n0.250000 0.026137 0.970332 S\n0.750000 0.628238 0.016575 S\n0.250000 0.371762 0.983425 S\n0.750000 0.320052 0.368036 S\n0.250000 0.679948 0.631964 S\n0.750000 0.713267 0.746591 S\n0.250000 0.286733 0.253409 S\n0.750000 0.279448 0.170127 S\n0.250000 0.720552 0.829873 S\n0.750000 0.959450 0.511235 S\n0.250000 0.040550 0.488765 S\n0.250000 0.946696 0.286234 S\n0.750000 0.053304 0.713766 S\n0.250000 0.357986 0.575617 S\n0.750000 0.642014 0.424383 S\n0.250000 0.664481 0.202204 S\n0.750000 0.335519 0.797796 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.230210900258388,
"density_atomic": 0.042416151736824566,
"volume": 707.2777414164804,
"volume_molar": 14.197753717416422,
"formula_full": "Yb12 S18",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy": -148.38509509,
"energy_per_atom": -4.9461698363333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.33109509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012643,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.881000Z",
"spacegroup": 11
},
{
"id": "mp-619061",
"created_at": "2022-09-04T14:42:47.377491Z",
"structure_string": "Yb16 S24\n1.0\n-6.418249 6.418249 6.418249\n6.418249 -6.418249 6.418249\n6.418249 6.418249 -6.418249\nYb S\n16 24\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.250000 0.547988 0.297988 Yb\n0.750000 0.952012 0.202012 Yb\n0.547988 0.297988 0.250000 Yb\n0.952012 0.202012 0.750000 Yb\n0.297988 0.250000 0.547988 Yb\n0.202012 0.750000 0.952012 Yb\n0.750000 0.452012 0.702012 Yb\n0.250000 0.047988 0.797988 Yb\n0.452012 0.702012 0.750000 Yb\n0.047988 0.797988 0.250000 Yb\n0.702012 0.750000 0.452012 Yb\n0.797988 0.250000 0.047988 Yb\n0.280045 0.763021 0.218363 S\n0.455342 0.736979 0.017024 S\n0.219955 0.438317 0.482976 S\n0.044658 0.061683 0.281637 S\n0.763021 0.218363 0.280045 S\n0.736979 0.017024 0.455342 S\n0.438317 0.482976 0.219955 S\n0.061683 0.281637 0.044658 S\n0.218363 0.280045 0.763021 S\n0.017024 0.455342 0.736979 S\n0.482976 0.219955 0.438317 S\n0.281637 0.044658 0.061683 S\n0.719955 0.236979 0.781637 S\n0.544658 0.263021 0.982976 S\n0.780045 0.561683 0.517024 S\n0.955342 0.938317 0.718363 S\n0.236979 0.781637 0.719955 S\n0.263021 0.982976 0.544658 S\n0.561683 0.517024 0.780045 S\n0.938317 0.718363 0.955342 S\n0.781637 0.719955 0.236979 S\n0.982976 0.544658 0.263021 S\n0.517024 0.780045 0.561683 S\n0.718363 0.955342 0.938317 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 5.55548269151185,
"density_atomic": 0.037822507229200907,
"volume": 1057.571349186443,
"volume_molar": 15.922108821359679,
"formula_full": "Yb16 S24",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy": -185.7520072,
"energy_per_atom": -4.64380018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.6800072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.7468598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.747000Z",
"spacegroup": 206
},
{
"id": "mp-684680",
"created_at": "2022-09-04T14:39:12.266049Z",
"structure_string": "Yb16 S24\n1.0\n-4.197925 4.197925 13.085145\n4.197925 -4.197925 13.085145\n4.197925 4.197925 -13.085145\nYb S\n16 24\ndirect\n0.158622 0.257889 0.340003 Yb\n0.917886 0.818619 0.659997 Yb\n0.590384 0.090384 0.500000 Yb\n0.375000 0.760605 0.885605 Yb\n0.832114 0.992111 0.400734 Yb\n0.159616 0.159616 0.000000 Yb\n0.591378 0.431381 0.599266 Yb\n0.875000 0.489395 0.114395 Yb\n0.007889 0.408622 0.840003 Yb\n0.510605 0.625000 0.385605 Yb\n0.840384 0.840384 0.000000 Yb\n0.239395 0.125000 0.614395 Yb\n0.568619 0.167886 0.159997 Yb\n0.909616 0.409616 0.500000 Yb\n0.742111 0.082114 0.900734 Yb\n0.181381 0.841378 0.099266 Yb\n0.466943 0.427257 0.682982 S\n0.247248 0.972815 0.086297 S\n0.886518 0.160950 0.913703 S\n0.502752 0.089050 0.225568 S\n0.863482 0.277185 0.774432 S\n0.283057 0.466039 0.460314 S\n0.744275 0.783961 0.317018 S\n0.005725 0.822743 0.539686 S\n0.219300 0.148569 0.837061 S\n0.851431 0.688491 0.070731 S\n0.617760 0.780700 0.929269 S\n0.177257 0.716943 0.182982 S\n0.533961 0.994275 0.817018 S\n0.910950 0.136518 0.413703 S\n0.311509 0.382240 0.162939 S\n0.722815 0.497248 0.586297 S\n0.839050 0.752752 0.725568 S\n0.572743 0.255725 0.039686 S\n0.898569 0.469300 0.337061 S\n0.216039 0.533057 0.960314 S\n0.132240 0.561509 0.662939 S\n0.027185 0.113482 0.274432 S\n0.530700 0.867760 0.429269 S\n0.438491 0.101431 0.570731 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.369767700589617,
"density_atomic": 0.04336627405427446,
"volume": 922.3757602495098,
"volume_molar": 13.886691654586404,
"formula_full": "Yb16 S24",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy": -201.23478208,
"energy_per_atom": -5.030869552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.16278208,
"band_gap": 1.4034999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033154,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.456000Z",
"spacegroup": 122
},
{
"id": "mp-1194076",
"created_at": "2022-09-04T14:44:08.788943Z",
"structure_string": "Yb12 S18\n1.0\n3.515196 -6.486706 0.000000\n3.515196 6.486706 0.000000\n0.000000 0.000000 15.004023\nYb S\n12 18\ndirect\n0.024092 0.024092 0.010296 Yb\n0.975908 0.975908 0.510296 Yb\n0.976316 0.976316 0.231818 Yb\n0.023684 0.023684 0.731818 Yb\n0.667658 0.319988 0.002056 Yb\n0.319988 0.667658 0.002056 Yb\n0.332342 0.680012 0.502056 Yb\n0.680012 0.332342 0.502056 Yb\n0.675731 0.341747 0.233846 Yb\n0.341747 0.675731 0.233846 Yb\n0.324269 0.658253 0.733846 Yb\n0.658253 0.324269 0.733846 Yb\n0.340922 0.340922 0.117070 S\n0.017326 0.680897 0.122540 S\n0.680897 0.017326 0.122540 S\n0.659078 0.659078 0.617070 S\n0.982674 0.319103 0.622540 S\n0.319103 0.982674 0.622540 S\n0.331317 0.331317 0.448548 S\n0.884948 0.667499 0.372207 S\n0.667499 0.884948 0.372207 S\n0.668683 0.668683 0.948548 S\n0.115052 0.332501 0.872207 S\n0.332501 0.115052 0.872207 S\n0.322934 0.322934 0.308472 S\n0.018089 0.477486 0.364899 S\n0.477486 0.018089 0.364899 S\n0.677066 0.677066 0.808472 S\n0.981911 0.522514 0.864899 S\n0.522514 0.981911 0.864899 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.439931710649156,
"density_atomic": 0.04384396049937154,
"volume": 684.2447547691322,
"volume_molar": 13.735394091704652,
"formula_full": "Yb12 S18",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy": -149.64299656,
"energy_per_atom": -4.988099885333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.58899656,
"band_gap": 1.5713999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.604000Z",
"spacegroup": 36
},
{
"id": "mp-1105888",
"created_at": "2022-09-04T14:47:15.344962Z",
"structure_string": "Yb8 S12\n1.0\n4.050633 0.000000 0.000000\n0.000000 10.270610 0.000000\n0.000000 0.000000 11.433734\nYb S\n8 12\ndirect\n0.250000 0.171898 0.502973 Yb\n0.250000 0.328102 0.002973 Yb\n0.750000 0.828102 0.497027 Yb\n0.750000 0.671898 0.997027 Yb\n0.750000 0.518558 0.654673 Yb\n0.750000 0.981442 0.154673 Yb\n0.250000 0.481442 0.345327 Yb\n0.250000 0.018558 0.845327 Yb\n0.250000 0.655223 0.528558 S\n0.250000 0.844777 0.028558 S\n0.750000 0.344777 0.471442 S\n0.750000 0.155223 0.971442 S\n0.750000 0.056797 0.649791 S\n0.750000 0.443203 0.149791 S\n0.250000 0.943203 0.350209 S\n0.250000 0.556797 0.850209 S\n0.250000 0.372016 0.764721 S\n0.250000 0.127984 0.264721 S\n0.750000 0.627984 0.235279 S\n0.750000 0.872016 0.735279 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.175814755017931,
"density_atomic": 0.0420458151322769,
"volume": 475.67159625945266,
"volume_molar": 14.322806541041565,
"formula_full": "Yb8 S12",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy": -100.58059485,
"energy_per_atom": -5.0290297425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.54459485,
"band_gap": 1.7725000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022337,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.322000Z",
"spacegroup": 62
},
{
"id": "mp-1820",
"created_at": "2022-09-04T14:43:19.425215Z",
"structure_string": "Yb1 S1\n1.0\n0.000000 2.831898 2.831898\n2.831898 0.000000 2.831898\n2.831898 2.831898 0.000000\nYb S\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 7.498295113038553,
"density_atomic": 0.04403187503604803,
"volume": 45.421640535694635,
"volume_molar": 13.676775642803747,
"formula_full": "Yb1 S1",
"formula_reduced": "YbS",
"formula_anonymous": "AB",
"energy": -10.67308377,
"energy_per_atom": -5.336541885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.17008377,
"band_gap": 2.224600000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013043,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.561000Z",
"spacegroup": 225
},
{
"id": "mp-1301",
"created_at": "2022-09-04T14:40:40.644955Z",
"structure_string": "Yb4 S6\n1.0\n7.182185 -3.350860 0.000000\n7.182185 3.350860 0.000000\n5.618836 0.000000 5.589340\nYb S\n4 6\ndirect\n0.348608 0.348608 0.348608 Yb\n0.151392 0.151392 0.151392 Yb\n0.651392 0.651392 0.651392 Yb\n0.848608 0.848608 0.848608 Yb\n0.963891 0.536109 0.250000 S\n0.536109 0.250000 0.963891 S\n0.250000 0.963891 0.536109 S\n0.036109 0.463891 0.750000 S\n0.463891 0.750000 0.036109 S\n0.750000 0.036109 0.463891 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 5.459691319573833,
"density_atomic": 0.03717034610139173,
"volume": 269.0316623020516,
"volume_molar": 16.201465392797402,
"formula_full": "Yb4 S6",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy": -46.22707151,
"energy_per_atom": -4.622707151,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.20907151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9241347,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.418000Z",
"spacegroup": 167
},
{
"id": "mp-685044",
"created_at": "2022-09-04T14:45:33.462800Z",
"structure_string": "Yb16 S29\n1.0\n11.131391 0.000000 0.000000\n-0.029194 11.146550 0.000000\n-5.526886 -4.884812 8.976490\nYb S\n16 29\ndirect\n0.704348 0.946806 0.652188 Yb\n0.786588 0.791410 0.315627 Yb\n0.955660 0.697771 0.656920 Yb\n0.214942 0.952689 0.672827 Yb\n0.043256 0.550673 0.340933 Yb\n0.292130 0.798844 0.331662 Yb\n0.206994 0.447213 0.662119 Yb\n0.449688 0.692602 0.646872 Yb\n0.299844 0.303800 0.349021 Yb\n0.544420 0.552241 0.338456 Yb\n0.457159 0.196236 0.662267 Yb\n0.703187 0.446112 0.651913 Yb\n0.547337 0.052165 0.340766 Yb\n0.801583 0.305009 0.348609 Yb\n0.961989 0.201123 0.670571 Yb\n0.056162 0.057229 0.355158 Yb\n0.077226 0.057510 0.014540 S\n0.196756 0.968262 0.939540 S\n0.525941 0.922846 0.954132 S\n0.549468 0.805687 0.342558 S\n0.531549 0.824351 0.067044 S\n0.731561 0.027706 0.039549 S\n0.434721 0.528101 0.981887 S\n0.941834 0.933484 0.626580 S\n0.796253 0.553655 0.342579 S\n0.793878 0.527356 0.048000 S\n0.056325 0.810904 0.359838 S\n0.002332 0.740244 0.050241 S\n0.700871 0.206075 0.012084 S\n0.202759 0.694772 0.653378 S\n0.934991 0.548656 0.993717 S\n0.447729 0.935076 0.636494 S\n0.051790 0.304520 0.350291 S\n0.994067 0.189422 0.945657 S\n0.289774 0.547248 0.332725 S\n0.292232 0.494928 0.023062 S\n0.457105 0.447495 0.659798 S\n0.703968 0.697822 0.654201 S\n0.300780 0.055135 0.348616 S\n0.546207 0.302459 0.339924 S\n0.509155 0.226936 0.955903 S\n0.705437 0.196477 0.655683 S\n0.956167 0.447720 0.658923 S\n0.809080 0.060829 0.359535 S\n0.206072 0.195039 0.661009 S\n",
"nsites": 45,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 5.514183294787189,
"density_atomic": 0.04040322721924585,
"volume": 1113.7724161441367,
"volume_molar": 14.905098365833974,
"formula_full": "Yb16 S29",
"formula_reduced": "Yb16S29",
"formula_anonymous": "A16B29",
"energy": -220.84442999,
"energy_per_atom": -4.907653999777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.25742999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.136000Z",
"spacegroup": 1
},
{
"id": "mp-1076966",
"created_at": "2022-09-04T14:45:58.685195Z",
"structure_string": "Yb2 S4\n1.0\n3.755653 0.000000 0.000000\n0.000000 3.755653 0.000000\n0.000000 0.000000 8.439179\nYb S\n2 4\ndirect\n0.000000 0.500000 0.715146 Yb\n0.500000 0.000000 0.284854 Yb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.372765 S\n0.500000 0.000000 0.627235 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.6171004835897795,
"density_atomic": 0.05040575605980444,
"volume": 119.03402446500826,
"volume_molar": 11.947327509292721,
"formula_full": "Yb2 S4",
"formula_reduced": "YbS2",
"formula_anonymous": "AB2",
"energy": -28.57781695,
"energy_per_atom": -4.7629694916666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.56581695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040837,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.717000Z",
"spacegroup": 129
}
]
}