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=11556",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=11554",
"results": [
{
"id": "mp-12384",
"created_at": "2022-09-04T14:46:00.557180Z",
"structure_string": "Na2 Er2 P4 S12\n1.0\n6.999701 0.000000 0.000000\n0.286120 7.177806 0.000000\n0.327502 0.539580 9.154998\nNa Er P S\n2 2 4 12\ndirect\n0.471727 0.397157 0.278992 Na\n0.528273 0.602843 0.721008 Na\n0.978388 0.117956 0.747714 Er\n0.021612 0.882044 0.252286 Er\n0.350550 0.961815 0.972767 P\n0.649450 0.038185 0.027233 P\n0.934837 0.393025 0.435152 P\n0.065163 0.606975 0.564848 P\n0.127767 0.475616 0.759004 S\n0.834754 0.837137 0.950480 S\n0.290361 0.701631 0.438782 S\n0.872233 0.524384 0.240996 S\n0.859205 0.818622 0.561879 S\n0.709639 0.298369 0.561218 S\n0.140795 0.181378 0.438121 S\n0.347793 0.967388 0.751116 S\n0.299008 0.712237 0.075799 S\n0.700992 0.287763 0.924201 S\n0.652207 0.032612 0.248884 S\n0.165246 0.162863 0.049520 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Er",
"P",
"S"
],
"chemical_system": "Er-Na-P-S",
"density": 3.2100049589849515,
"density_atomic": 0.04348110142435524,
"volume": 459.9699488936433,
"volume_molar": 13.850018888037631,
"formula_full": "Na2 Er2 P4 S12",
"formula_reduced": "NaEr(PS3)2",
"formula_anonymous": "ABC2D6",
"energy": -107.18641341,
"energy_per_atom": -5.3593206705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.15041341,
"band_gap": 2.5452,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020621,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.851000Z",
"spacegroup": 2
},
{
"id": "mp-616616",
"created_at": "2022-09-04T14:46:00.559497Z",
"structure_string": "Sr30 Fe20 Bi20 O92\n1.0\n13.745759 -16.409030 0.000000\n13.745759 16.409030 0.000000\n0.000000 0.000000 5.546359\nSr Fe Bi O\n30 20 20 92\ndirect\n0.688463 0.210210 0.253087 Sr\n0.500000 0.000000 0.255108 Sr\n0.187176 0.907851 0.256567 Sr\n0.789790 0.311537 0.746913 Sr\n0.210210 0.688463 0.746913 Sr\n0.005310 0.280609 0.249649 Sr\n0.092149 0.812824 0.743433 Sr\n0.719391 0.994690 0.750351 Sr\n0.530174 0.787046 0.746324 Sr\n0.994690 0.719391 0.249649 Sr\n0.311537 0.789790 0.253087 Sr\n0.677895 0.431118 0.751121 Sr\n0.907851 0.187176 0.743433 Sr\n0.407174 0.894174 0.751347 Sr\n0.000000 0.500000 0.744892 Sr\n0.212954 0.469826 0.253676 Sr\n0.812824 0.092149 0.256567 Sr\n0.893229 0.625775 0.742207 Sr\n0.322105 0.568882 0.751121 Sr\n0.894174 0.407174 0.248653 Sr\n0.787046 0.530174 0.253676 Sr\n0.106771 0.374225 0.742207 Sr\n0.568882 0.322105 0.248879 Sr\n0.592826 0.105826 0.751347 Sr\n0.431118 0.677895 0.248879 Sr\n0.374225 0.106771 0.257793 Sr\n0.105826 0.592826 0.248653 Sr\n0.625775 0.893229 0.257793 Sr\n0.469826 0.212954 0.746324 Sr\n0.280609 0.005310 0.750351 Sr\n0.847516 0.249896 0.246383 Fe\n0.944545 0.563222 0.244660 Fe\n0.050566 0.655604 0.747847 Fe\n0.152484 0.750104 0.246383 Fe\n0.249896 0.847516 0.753617 Fe\n0.655604 0.050566 0.252153 Fe\n0.730258 0.372324 0.249496 Fe\n0.163237 0.530073 0.749363 Fe\n0.269742 0.627676 0.249496 Fe\n0.372324 0.730258 0.750504 Fe\n0.469927 0.836763 0.250637 Fe\n0.436778 0.055455 0.755340 Fe\n0.627676 0.269742 0.750504 Fe\n0.836763 0.469927 0.749363 Fe\n0.563222 0.944545 0.755340 Fe\n0.055455 0.436778 0.244660 Fe\n0.344396 0.949434 0.252153 Fe\n0.530073 0.163237 0.250637 Fe\n0.750104 0.152484 0.753617 Fe\n0.949434 0.344396 0.747847 Fe\n0.808773 0.912812 0.229630 Bi\n0.716480 0.624059 0.774277 Bi\n0.282796 0.183138 0.780809 Bi\n0.396891 0.481475 0.212048 Bi\n0.481475 0.396891 0.787952 Bi\n0.087188 0.191227 0.770370 Bi\n0.007508 0.899963 0.220165 Bi\n0.183138 0.282796 0.219191 Bi\n0.816862 0.717204 0.219191 Bi\n0.992492 0.100037 0.220165 Bi\n0.899963 0.007508 0.779835 Bi\n0.191227 0.087188 0.229630 Bi\n0.518525 0.603109 0.787952 Bi\n0.912812 0.808773 0.770370 Bi\n0.375941 0.283520 0.225723 Bi\n0.100037 0.992492 0.779835 Bi\n0.603109 0.518525 0.212048 Bi\n0.717204 0.816862 0.780809 Bi\n0.624059 0.716480 0.225723 Bi\n0.283520 0.375941 0.774277 Bi\n0.921840 0.813579 0.154565 O\n0.813579 0.921840 0.845435 O\n0.884629 0.523180 0.998894 O\n0.835905 0.069764 0.733374 O\n0.272535 0.170988 0.165564 O\n0.930236 0.164095 0.266626 O\n0.900737 0.012874 0.165923 O\n0.500000 0.000000 0.762120 O\n0.549389 0.639689 0.135520 O\n0.787992 0.309414 0.236056 O\n0.523180 0.884629 0.001106 O\n0.877039 0.650979 0.257414 O\n0.009583 0.382875 0.993439 O\n0.330834 0.669166 0.000000 O\n0.012874 0.900737 0.834077 O\n0.743763 0.974012 0.274360 O\n0.829012 0.727465 0.834436 O\n0.987126 0.099263 0.834077 O\n0.170988 0.272535 0.834436 O\n0.990417 0.617125 0.993439 O\n0.191648 0.808352 0.000000 O\n0.113767 0.478960 0.493236 O\n0.668882 0.461831 0.299385 O\n0.672247 0.327753 0.500000 O\n0.521040 0.886233 0.506764 O\n0.290808 0.904939 0.505548 O\n0.309414 0.787992 0.763944 O\n0.007824 0.384822 0.498091 O\n0.906623 0.288498 0.997498 O\n0.558005 0.441995 0.000000 O\n0.669166 0.330834 0.000000 O\n0.220521 0.575037 0.502985 O\n0.594298 0.107391 0.242554 O\n0.478960 0.113767 0.506764 O\n0.538169 0.331118 0.700615 O\n0.093377 0.711502 0.997498 O\n0.461831 0.668882 0.700615 O\n0.779479 0.424963 0.502985 O\n0.808352 0.191648 0.000000 O\n0.776573 0.557908 0.728998 O\n0.775997 0.428977 0.998365 O\n0.405702 0.892609 0.242554 O\n0.078160 0.186421 0.154565 O\n0.099263 0.987126 0.165923 O\n0.349021 0.122961 0.742586 O\n0.441995 0.558005 0.000000 O\n0.904939 0.290808 0.494452 O\n0.575037 0.220521 0.497015 O\n0.223427 0.442092 0.728998 O\n0.711502 0.093377 0.002502 O\n0.557908 0.776573 0.271002 O\n0.115371 0.476820 0.998894 O\n0.690586 0.212008 0.763944 O\n0.265113 0.360274 0.153132 O\n0.615178 0.992176 0.501909 O\n0.650979 0.877039 0.742586 O\n0.805378 0.194622 0.500000 O\n0.000000 0.500000 0.237880 O\n0.224003 0.571023 0.998365 O\n0.382875 0.009583 0.006561 O\n0.069764 0.835905 0.266626 O\n0.639689 0.549389 0.864480 O\n0.256237 0.025988 0.274360 O\n0.194622 0.805378 0.500000 O\n0.424963 0.779479 0.497015 O\n0.476820 0.115371 0.001106 O\n0.734887 0.639726 0.153132 O\n0.617125 0.990417 0.006561 O\n0.288498 0.906623 0.002502 O\n0.571023 0.224003 0.001635 O\n0.025988 0.256237 0.725640 O\n0.428977 0.775997 0.001635 O\n0.892609 0.405702 0.757446 O\n0.122961 0.349021 0.257414 O\n0.442092 0.223427 0.271002 O\n0.727465 0.829012 0.165564 O\n0.095061 0.709192 0.494452 O\n0.709192 0.095061 0.505548 O\n0.360311 0.450611 0.864480 O\n0.327753 0.672247 0.500000 O\n0.450611 0.360311 0.135520 O\n0.974012 0.743763 0.725640 O\n0.107391 0.594298 0.757446 O\n0.331118 0.538169 0.299385 O\n0.992176 0.615178 0.498091 O\n0.164095 0.930236 0.733374 O\n0.186421 0.078160 0.845435 O\n0.384822 0.007824 0.501909 O\n0.212008 0.690586 0.236056 O\n0.639726 0.734887 0.846868 O\n0.360274 0.265113 0.846868 O\n0.886233 0.521040 0.493236 O\n",
"nsites": 162,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O-Sr",
"density": 6.2366469208269875,
"density_atomic": 0.06474785832618105,
"volume": 2502.013258629972,
"volume_molar": 9.300911127688874,
"formula_full": "Sr30 Fe20 Bi20 O92",
"formula_reduced": "Sr15Fe10(Bi5O23)2",
"formula_anonymous": "A10B10C15D46",
"energy": -1115.44459947,
"energy_per_atom": -6.885460490555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1007.12059947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 96.001927,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.390000Z",
"spacegroup": 21
},
{
"id": "mp-727248",
"created_at": "2022-09-04T14:46:00.577190Z",
"structure_string": "K4 S4 N4 O12\n1.0\n5.954903 0.000000 0.000000\n0.000000 8.438443 0.000000\n0.000000 0.000000 8.856988\nK S N O\n4 4 4 12\ndirect\n0.166921 0.250000 0.500000 K\n0.833079 0.750000 0.000000 K\n0.833079 0.750000 0.500000 K\n0.166921 0.250000 0.000000 K\n0.682491 0.371925 0.750000 S\n0.317509 0.628075 0.250000 S\n0.682491 0.128075 0.250000 S\n0.317509 0.871925 0.750000 S\n0.796575 0.194479 0.750000 N\n0.203425 0.805521 0.250000 N\n0.796575 0.305521 0.250000 N\n0.203425 0.694479 0.750000 N\n0.437421 0.346804 0.750000 O\n0.562579 0.653196 0.250000 O\n0.437421 0.153196 0.250000 O\n0.562579 0.846804 0.750000 O\n0.768398 0.444842 0.610444 O\n0.231602 0.555158 0.110444 O\n0.768398 0.055158 0.389556 O\n0.231602 0.944842 0.889556 O\n0.231602 0.555158 0.389556 O\n0.768398 0.444842 0.889556 O\n0.231602 0.944842 0.610444 O\n0.768398 0.055158 0.110444 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"S",
"N",
"O"
],
"chemical_system": "K-N-O-S",
"density": 1.9874057833688132,
"density_atomic": 0.05392475401253947,
"volume": 445.06461715929436,
"volume_molar": 11.16767404928659,
"formula_full": "K4 S4 N4 O12",
"formula_reduced": "KSNO3",
"formula_anonymous": "ABCD3",
"energy": -142.69787062999998,
"energy_per_atom": -5.945744609583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.00987063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0022768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.443000Z",
"spacegroup": 57
},
{
"id": "mp-1428949",
"created_at": "2022-09-04T14:46:00.580989Z",
"structure_string": "Na4 Sr1 Si3 O9\n1.0\n3.868964 -5.478304 0.000000\n3.868964 5.478304 0.000000\n-3.888103 0.000000 5.464737\nNa Sr Si O\n4 1 3 9\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.528128 0.471872 Na\n0.471872 0.000000 0.528128 Na\n0.528128 0.471872 0.000000 Na\n0.000000 0.000000 0.000000 Sr\n0.963365 0.036635 0.500000 Si\n0.500000 0.963365 0.036635 Si\n0.036635 0.500000 0.963365 Si\n0.258985 0.741015 0.000000 O\n0.122118 0.460026 0.191605 O\n0.808395 0.539974 0.877882 O\n0.877882 0.808395 0.539974 O\n0.191605 0.122118 0.460026 O\n0.523561 0.865662 0.792115 O\n0.741015 0.000000 0.258985 O\n0.000000 0.258985 0.741015 O\n0.460026 0.191605 0.122118 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Sr",
"density": 2.9234009055129926,
"density_atomic": 0.07338526098838608,
"volume": 231.65414650075869,
"volume_molar": 8.206199281560178,
"formula_full": "Na4 Sr1 Si3 O9",
"formula_reduced": "Na4Sr(SiO3)3",
"formula_anonymous": "AB3C4D9",
"energy": -116.57591307,
"energy_per_atom": -6.85740665117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.39291307,
"band_gap": 4.0931,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.430000Z",
"spacegroup": 1
},
{
"id": "mp-26409",
"created_at": "2022-09-04T14:46:00.594157Z",
"structure_string": "Li2 Ti2 P8 O24\n1.0\n4.222470 6.068309 0.000000\n-4.222470 6.068309 0.000000\n0.000000 4.785161 8.761803\nLi Ti P O\n2 2 8 24\ndirect\n0.958826 0.041174 0.750000 Li\n0.041174 0.958826 0.250000 Li\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.257364 0.730413 0.973344 P\n0.695243 0.684017 0.804400 P\n0.304757 0.315983 0.195600 P\n0.684017 0.695243 0.304400 P\n0.269587 0.742636 0.526656 P\n0.315983 0.304757 0.695600 P\n0.742636 0.269587 0.026656 P\n0.730413 0.257364 0.473344 P\n0.128136 0.295891 0.673472 O\n0.466062 0.682638 0.838087 O\n0.682638 0.466062 0.338087 O\n0.651026 0.809428 0.150763 O\n0.691733 0.192721 0.927606 O\n0.192721 0.691733 0.427606 O\n0.807279 0.308267 0.572394 O\n0.496603 0.776301 0.432713 O\n0.809428 0.651026 0.650763 O\n0.348974 0.190572 0.849237 O\n0.154847 0.909762 0.592377 O\n0.317362 0.533938 0.661913 O\n0.295891 0.128136 0.173472 O\n0.533938 0.317362 0.161913 O\n0.871864 0.704109 0.326528 O\n0.090238 0.845153 0.907623 O\n0.704109 0.871864 0.826528 O\n0.503397 0.223699 0.567287 O\n0.223699 0.503397 0.067287 O\n0.776301 0.496603 0.932713 O\n0.909762 0.154847 0.092377 O\n0.190572 0.348974 0.349237 O\n0.308267 0.807279 0.072394 O\n0.845153 0.090238 0.407623 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 2.7418208530589503,
"density_atomic": 0.08017606935471967,
"volume": 449.01178480983754,
"volume_molar": 7.5111449195101985,
"formula_full": "Li2 Ti2 P8 O24",
"formula_reduced": "LiTi(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -280.25068489,
"energy_per_atom": -7.784741246944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.76268489,
"band_gap": 0.1806000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9719617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.288000Z",
"spacegroup": 15
},
{
"id": "mp-1517681",
"created_at": "2022-09-04T14:46:00.599998Z",
"structure_string": "Sr1 Nb1 Cr1 Sn1 O6\n1.0\n0.000000 -4.008727 -4.008727\n4.008727 0.000000 -4.008727\n4.008727 -4.008727 0.000000\nSr Nb Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Sn\n0.750241 0.249759 0.249759 O\n0.249759 0.750241 0.750241 O\n0.750241 0.249759 0.750241 O\n0.249759 0.750241 0.249759 O\n0.750241 0.750241 0.249759 O\n0.249759 0.249759 0.750241 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Nb",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Nb-O-Sn-Sr",
"density": 5.764073350562641,
"density_atomic": 0.07761587552228022,
"volume": 128.83962118200193,
"volume_molar": 7.758903342230932,
"formula_full": "Sr1 Nb1 Cr1 Sn1 O6",
"formula_reduced": "SrNbCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -81.33695191999999,
"energy_per_atom": -8.133695192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.21595192,
"band_gap": 2.1416999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.946000Z",
"spacegroup": 216
},
{
"id": "mp-1218506",
"created_at": "2022-09-04T14:46:00.690555Z",
"structure_string": "Sr4 Cu3 Ni1 O8\n1.0\n1.820678 -8.169870 0.000000\n1.820678 8.169870 0.000000\n0.000000 0.000000 7.876232\nSr Cu Ni O\n4 3 1 8\ndirect\n0.332464 0.667536 0.500000 Sr\n0.332671 0.667329 0.000000 Sr\n0.668385 0.331615 0.748389 Sr\n0.668385 0.331615 0.251611 Sr\n0.062600 0.937400 0.000000 Cu\n0.937995 0.062005 0.749163 Cu\n0.937995 0.062005 0.250837 Cu\n0.061572 0.938428 0.500000 Ni\n0.944418 0.055582 0.500000 O\n0.944489 0.055510 0.000000 O\n0.054637 0.945363 0.747813 O\n0.054637 0.945363 0.252187 O\n0.178937 0.821063 0.500000 O\n0.179907 0.820093 0.000000 O\n0.820453 0.179547 0.750180 O\n0.820453 0.179547 0.249820 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O-Sr",
"density": 5.157845164984198,
"density_atomic": 0.0682846670806324,
"volume": 234.31321677393203,
"volume_molar": 8.819169833381324,
"formula_full": "Sr4 Cu3 Ni1 O8",
"formula_reduced": "Sr4Cu3NiO8",
"formula_anonymous": "AB3C4D8",
"energy": -97.00450891,
"energy_per_atom": -6.062781806875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.96750891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9744101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.977000Z",
"spacegroup": 38
},
{
"id": "mp-1099096",
"created_at": "2022-09-04T14:46:00.859253Z",
"structure_string": "Ce1 Mg14 Cd1\n1.0\n3.226990 -5.614639 0.000000\n3.226990 5.614639 0.000000\n0.000000 0.000000 10.301429\nCe Mg Cd\n1 14 1\ndirect\n0.832717 0.167283 0.500000 Ce\n0.833348 0.166652 0.000000 Mg\n0.333451 0.666549 0.000000 Mg\n0.336814 0.173334 0.500000 Mg\n0.333410 0.166947 0.000000 Mg\n0.826666 0.663186 0.500000 Mg\n0.833053 0.666590 0.000000 Mg\n0.169184 0.334363 0.246616 Mg\n0.169184 0.334363 0.753384 Mg\n0.665637 0.830816 0.246616 Mg\n0.665637 0.830816 0.753384 Mg\n0.665508 0.334492 0.245943 Mg\n0.665508 0.334492 0.754057 Mg\n0.166720 0.833280 0.253356 Mg\n0.166720 0.833280 0.746644 Mg\n0.336453 0.663547 0.500000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Cd"
],
"chemical_system": "Cd-Ce-Mg",
"density": 2.6369880864307103,
"density_atomic": 0.04286206156756308,
"volume": 373.2904908173711,
"volume_molar": 14.050049250448101,
"formula_full": "Ce1 Mg14 Cd1",
"formula_reduced": "CeMg14Cd",
"formula_anonymous": "ABC14",
"energy": -28.89480953,
"energy_per_atom": -1.805925595625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.89480953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1557622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.882000Z",
"spacegroup": 38
},
{
"id": "mp-1177758",
"created_at": "2022-09-04T14:46:00.583729Z",
"structure_string": "Li10 V5 O10 F5\n1.0\n1.502296 12.988846 0.000000\n-1.502296 12.988846 0.000000\n0.000000 0.040031 7.309043\nLi V O F\n10 5 10 5\ndirect\n0.535129 0.535129 0.120198 Li\n0.931905 0.931905 0.158885 Li\n0.733161 0.733161 0.155905 Li\n0.662409 0.662409 0.864126 Li\n0.865656 0.865656 0.841478 Li\n0.332540 0.332540 0.158158 Li\n0.130402 0.130402 0.127409 Li\n0.074175 0.074175 0.870147 Li\n0.464704 0.464704 0.844411 Li\n0.266228 0.266228 0.840863 Li\n0.997196 0.997196 0.501614 V\n0.799989 0.799989 0.498824 V\n0.603865 0.603865 0.518749 V\n0.398614 0.398614 0.500760 V\n0.201183 0.201183 0.501686 V\n0.532929 0.532929 0.633502 O\n0.734397 0.734397 0.653240 O\n0.932051 0.932051 0.655717 O\n0.866584 0.866584 0.344893 O\n0.666158 0.666158 0.357425 O\n0.599515 0.599515 0.003180 O\n0.333025 0.333025 0.654589 O\n0.134175 0.134175 0.656713 O\n0.267085 0.267085 0.344361 O\n0.465714 0.465714 0.346127 O\n0.995658 0.995658 0.999102 F\n0.801078 0.801078 0.999707 F\n0.067549 0.067549 0.345760 F\n0.203786 0.203786 0.001881 F\n0.398948 0.398948 0.000589 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.3712325232608995,
"density_atomic": 0.1051730972228274,
"volume": 285.2440480709607,
"volume_molar": 5.725932694785106,
"formula_full": "Li10 V5 O10 F5",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy": -202.3545066,
"energy_per_atom": -6.74515022,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.6745066,
"band_gap": 1.0331,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.954000Z",
"spacegroup": 8
},
{
"id": "mp-865611",
"created_at": "2022-09-04T14:46:00.604107Z",
"structure_string": "Mg1 Rh3\n1.0\n-1.394075 2.384326 4.407638\n1.394075 -2.384326 4.407638\n1.394075 2.384326 -4.407638\nMg Rh\n1 3\ndirect\n0.164487 0.500000 0.664487 Mg\n0.741832 0.746071 0.995761 Rh\n0.249691 0.253929 0.995761 Rh\n0.677328 0.000000 0.677328 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 9.436342302548798,
"density_atomic": 0.06825623165486862,
"volume": 58.60270781172969,
"volume_molar": 8.822843883984692,
"formula_full": "Mg1 Rh3",
"formula_reduced": "MgRh3",
"formula_anonymous": "AB3",
"energy": -24.74992639,
"energy_per_atom": -6.1874815975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.74992639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.237000Z",
"spacegroup": 44
},
{
"id": "mp-1200798",
"created_at": "2022-09-04T14:46:00.625264Z",
"structure_string": "Rh4 W4 N20 Cl4 O16\n1.0\n5.567586 0.000000 0.000000\n0.000000 9.877393 0.000000\n0.000000 0.000000 17.114116\nRh W N Cl O\n4 4 20 4 16\ndirect\n0.750000 0.375250 0.827067 Rh\n0.750000 0.124750 0.327067 Rh\n0.250000 0.624750 0.172933 Rh\n0.250000 0.875250 0.672933 Rh\n0.250000 0.432937 0.578632 W\n0.250000 0.067063 0.078632 W\n0.750000 0.567063 0.421368 W\n0.750000 0.932937 0.921368 W\n0.509649 0.511396 0.878360 N\n0.990351 0.988604 0.378360 N\n0.009649 0.488604 0.121640 N\n0.490351 0.011396 0.621640 N\n0.490351 0.488604 0.121640 N\n0.009649 0.011396 0.621640 N\n0.990351 0.511396 0.878360 N\n0.509649 0.988604 0.378360 N\n0.750000 0.393091 0.729005 N\n0.750000 0.106909 0.229005 N\n0.250000 0.606909 0.270995 N\n0.250000 0.893091 0.770995 N\n0.556481 0.223735 0.863066 N\n0.943519 0.276265 0.363066 N\n0.056481 0.776265 0.136934 N\n0.443519 0.723735 0.636934 N\n0.443519 0.776265 0.136934 N\n0.056481 0.723735 0.636934 N\n0.943519 0.223735 0.863066 N\n0.556481 0.276265 0.363066 N\n0.750000 0.446277 0.106838 Cl\n0.750000 0.053723 0.606838 Cl\n0.250000 0.553723 0.893162 Cl\n0.250000 0.946277 0.393162 Cl\n0.001781 0.337710 0.611069 O\n0.498219 0.162290 0.111069 O\n0.501781 0.662290 0.388931 O\n0.998219 0.837710 0.888931 O\n0.998219 0.662290 0.388931 O\n0.501781 0.837710 0.888931 O\n0.498219 0.337710 0.611069 O\n0.001781 0.162290 0.111069 O\n0.250000 0.620288 0.645650 O\n0.250000 0.879712 0.145650 O\n0.750000 0.379712 0.354350 O\n0.750000 0.120288 0.854350 O\n0.250000 0.430437 0.474609 O\n0.250000 0.069563 0.974609 O\n0.750000 0.569563 0.525391 O\n0.750000 0.930437 0.025391 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Rh",
"W",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-Rh-W",
"density": 3.2197993496552852,
"density_atomic": 0.051000859854638245,
"volume": 941.16060271942,
"volume_molar": 11.807920056964138,
"formula_full": "Rh4 W4 N20 Cl4 O16",
"formula_reduced": "RhWN5ClO4",
"formula_anonymous": "ABCD4E5",
"energy": -307.44202678,
"energy_per_atom": -6.405042224583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.24202678,
"band_gap": 0.1595999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0014289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.974000Z",
"spacegroup": 62
},
{
"id": "mp-1521474",
"created_at": "2022-09-04T14:46:00.693091Z",
"structure_string": "Sr2 Pr1 Ge1 O6\n1.0\n0.000000 -4.211993 -4.211993\n4.211993 -0.000000 -4.211993\n4.211993 -4.211993 -0.000000\nSr Pr Ge O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n-0.000000 0.000000 0.000000 Ge\n0.774276 0.225724 0.225724 O\n0.225724 0.774276 0.774276 O\n0.774276 0.225724 0.774276 O\n0.225724 0.774276 0.225724 O\n0.774276 0.774276 0.225724 O\n0.225724 0.225724 0.774276 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"Ge",
"O"
],
"chemical_system": "Ge-O-Pr-Sr",
"density": 5.386473184176918,
"density_atomic": 0.06691247314404986,
"volume": 149.4489671375903,
"volume_molar": 9.000027165391831,
"formula_full": "Sr2 Pr1 Ge1 O6",
"formula_reduced": "Sr2PrGeO6",
"formula_anonymous": "ABC2D6",
"energy": -70.29451361,
"energy_per_atom": -7.029451361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.17251361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.747000Z",
"spacegroup": 225
}
]
}