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=formula_reduced&page=30",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=28",
"results": [
{
"id": "mp-19318",
"created_at": "2022-09-04T14:45:23.150414Z",
"structure_string": "Ag4 Mo2 O8\n1.0\n0.000000 4.732562 4.732562\n4.732562 0.000000 4.732562\n4.732562 4.732562 0.000000\nAg Mo O\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Ag\n0.125000 0.125000 0.625000 Ag\n0.625000 0.125000 0.125000 Ag\n0.125000 0.125000 0.125000 Ag\n0.750000 0.750000 0.750000 Mo\n0.500000 0.500000 0.500000 Mo\n0.389626 0.389626 0.389626 O\n0.860374 0.418877 0.860374 O\n0.389626 0.831123 0.389626 O\n0.860374 0.860374 0.418877 O\n0.418877 0.860374 0.860374 O\n0.860374 0.860374 0.860374 O\n0.831123 0.389626 0.389626 O\n0.389626 0.389626 0.831123 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"Mo",
"O"
],
"chemical_system": "Ag-Mo-O",
"density": 5.885336508905655,
"density_atomic": 0.06604031000865504,
"volume": 211.9917365343258,
"volume_molar": 9.11888626690389,
"formula_full": "Ag4 Mo2 O8",
"formula_reduced": "Ag2MoO4",
"formula_anonymous": "AB2C4",
"energy": -90.16147663,
"energy_per_atom": -6.440105473571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.26147663,
"band_gap": 1.8731,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000623,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.912000Z",
"spacegroup": 227
},
{
"id": "mp-1205258",
"created_at": "2022-09-04T14:47:02.908542Z",
"structure_string": "Ag8 Mo12 O48\n1.0\n7.754192 0.000000 0.000000\n0.000000 9.278232 0.000000\n0.000000 0.000000 13.872029\nAg Mo O\n8 12 48\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.750000 0.946091 0.803270 Ag\n0.750000 0.553909 0.303270 Ag\n0.250000 0.053909 0.196730 Ag\n0.250000 0.446091 0.696730 Ag\n0.001606 0.620852 0.899479 Mo\n0.498394 0.879148 0.399479 Mo\n0.501606 0.379148 0.100521 Mo\n0.998394 0.120852 0.600521 Mo\n0.998394 0.379148 0.100521 Mo\n0.501606 0.120852 0.600521 Mo\n0.498394 0.620852 0.899479 Mo\n0.001606 0.879148 0.399479 Mo\n0.750000 0.333914 0.902986 Mo\n0.750000 0.166086 0.402986 Mo\n0.250000 0.666086 0.097014 Mo\n0.250000 0.833914 0.597014 Mo\n0.014777 0.609685 0.060018 O\n0.485223 0.890315 0.560018 O\n0.514777 0.390315 0.939982 O\n0.985223 0.109685 0.439982 O\n0.985223 0.390315 0.939982 O\n0.514777 0.109685 0.439982 O\n0.485223 0.609685 0.060018 O\n0.014777 0.890315 0.560018 O\n0.035827 0.572140 0.779425 O\n0.464173 0.927860 0.279425 O\n0.535827 0.427860 0.220575 O\n0.964173 0.072140 0.720575 O\n0.964173 0.427860 0.220575 O\n0.535827 0.072140 0.720575 O\n0.464173 0.572140 0.779425 O\n0.035827 0.927860 0.279425 O\n0.958901 0.810025 0.896937 O\n0.541099 0.689975 0.396937 O\n0.458901 0.189975 0.103063 O\n0.041099 0.310025 0.603063 O\n0.041099 0.189975 0.103063 O\n0.458901 0.310025 0.603063 O\n0.541099 0.810025 0.896937 O\n0.958901 0.689975 0.396937 O\n0.750000 0.575573 0.908965 O\n0.750000 0.924427 0.408965 O\n0.250000 0.424427 0.091035 O\n0.250000 0.075573 0.591035 O\n0.750000 0.344996 0.779339 O\n0.750000 0.155004 0.279339 O\n0.250000 0.655004 0.220661 O\n0.250000 0.844996 0.720661 O\n0.250000 0.626580 0.930705 O\n0.250000 0.873420 0.430705 O\n0.750000 0.373420 0.069295 O\n0.750000 0.126580 0.569295 O\n0.750000 0.143654 0.929428 O\n0.750000 0.356346 0.429428 O\n0.250000 0.856346 0.070572 O\n0.250000 0.643654 0.570572 O\n0.250000 0.211572 0.851945 O\n0.250000 0.288428 0.351945 O\n0.750000 0.788428 0.148055 O\n0.750000 0.711572 0.648055 O\n0.250000 0.098912 0.899839 O\n0.250000 0.401088 0.399839 O\n0.750000 0.901088 0.100161 O\n0.750000 0.598912 0.600161 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Ag",
"Mo",
"O"
],
"chemical_system": "Ag-Mo-O",
"density": 4.629085242129484,
"density_atomic": 0.06813451151582008,
"volume": 998.0257946695804,
"volume_molar": 8.838605614133927,
"formula_full": "Ag8 Mo12 O48",
"formula_reduced": "Ag2(MoO4)3",
"formula_anonymous": "A2B3C12",
"energy": -466.41987472,
"energy_per_atom": -6.8591158047058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -420.26787472,
"band_gap": 0.9809,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9996544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.380000Z",
"spacegroup": 62
},
{
"id": "mp-557303",
"created_at": "2022-09-04T14:43:52.783354Z",
"structure_string": "Ag8 N4 Cl4 O12\n1.0\n5.150508 0.000000 0.000000\n0.000000 6.663861 0.000000\n0.000000 0.000000 12.954917\nAg N Cl O\n8 4 4 12\ndirect\n0.250000 0.763328 0.532468 Ag\n0.750000 0.236672 0.467532 Ag\n0.250000 0.353734 0.248163 Ag\n0.750000 0.736672 0.032468 Ag\n0.750000 0.146266 0.748163 Ag\n0.250000 0.853734 0.251837 Ag\n0.250000 0.263328 0.967532 Ag\n0.750000 0.646266 0.751837 Ag\n0.750000 0.142235 0.147002 N\n0.250000 0.857765 0.852998 N\n0.750000 0.642235 0.352998 N\n0.250000 0.357765 0.647002 N\n0.750000 0.396481 0.908545 Cl\n0.750000 0.896481 0.591455 Cl\n0.250000 0.103519 0.408545 Cl\n0.250000 0.603519 0.091455 Cl\n0.750000 0.790912 0.292187 O\n0.463191 0.934043 0.883652 O\n0.036809 0.434043 0.616348 O\n0.250000 0.709088 0.792187 O\n0.536809 0.565957 0.383652 O\n0.963191 0.065957 0.116348 O\n0.036809 0.934043 0.883652 O\n0.250000 0.209088 0.707813 O\n0.536809 0.065957 0.116348 O\n0.463191 0.434043 0.616348 O\n0.750000 0.290912 0.207813 O\n0.963191 0.565957 0.383652 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ag",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-N-O",
"density": 4.678561123032568,
"density_atomic": 0.06297198752605564,
"volume": 444.642151217072,
"volume_molar": 9.563205794494333,
"formula_full": "Ag8 N4 Cl4 O12",
"formula_reduced": "Ag2NClO3",
"formula_anonymous": "ABC2D3",
"energy": -142.18002706,
"energy_per_atom": -5.077858109285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.48002706,
"band_gap": 1.7100000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.203000Z",
"spacegroup": 62
},
{
"id": "mp-7711",
"created_at": "2022-09-04T14:46:10.601503Z",
"structure_string": "Ag2 O1\n1.0\n1.607734 -2.784677 0.000000\n1.607734 2.784677 0.000000\n0.000000 0.000000 4.988547\nAg O\n2 1\ndirect\n0.333333 0.666667 0.287379 Ag\n0.666667 0.333333 0.712621 Ag\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 8.614878187275739,
"density_atomic": 0.0671627030764648,
"volume": 44.66764830153571,
"volume_molar": 8.966495516334101,
"formula_full": "Ag2 O1",
"formula_reduced": "Ag2O",
"formula_anonymous": "AB2",
"energy": -11.22209286,
"energy_per_atom": -3.74069762,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.53509286,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017521,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.945000Z",
"spacegroup": 164
},
{
"id": "mp-38238",
"created_at": "2022-09-04T14:45:15.619660Z",
"structure_string": "Ag6 O3\n1.0\n4.239124 0.000000 0.000000\n1.965633 4.785578 0.000000\n1.729597 1.032868 8.284056\nAg O\n6 3\ndirect\n0.629618 0.702443 0.128324 Ag\n0.254351 0.260998 0.274443 Ag\n0.132490 0.114650 0.646605 Ag\n0.743274 0.761875 0.777629 Ag\n0.888866 0.776735 0.432933 Ag\n0.436321 0.268624 0.907582 Ag\n0.176996 0.621167 0.104845 O\n0.939126 0.309041 0.855376 O\n0.329460 0.894969 0.444762 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.869259737164115,
"density_atomic": 0.05355363616907532,
"volume": 168.05581551149785,
"volume_molar": 11.245064183853684,
"formula_full": "Ag6 O3",
"formula_reduced": "Ag2O",
"formula_anonymous": "AB2",
"energy": -33.76401272,
"energy_per_atom": -3.7515569688888886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.70301272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.278000Z",
"spacegroup": 1
},
{
"id": "mp-353",
"created_at": "2022-09-04T14:45:20.824857Z",
"structure_string": "Ag4 O2\n1.0\n4.840837 0.000000 0.000000\n0.000000 4.840837 0.000000\n0.000000 0.000000 4.840837\nAg O\n4 2\ndirect\n0.250000 0.250000 0.750000 Ag\n0.750000 0.250000 0.250000 Ag\n0.250000 0.750000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.784390642779099,
"density_atomic": 0.052891985747254115,
"volume": 113.43873585444823,
"volume_molar": 11.385733915865767,
"formula_full": "Ag4 O2",
"formula_reduced": "Ag2O",
"formula_anonymous": "AB2",
"energy": -23.16147587,
"energy_per_atom": -3.8602459783333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.78747587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.294000Z",
"spacegroup": 224
},
{
"id": "mp-754338",
"created_at": "2022-09-04T14:47:25.516362Z",
"structure_string": "Ag8 O4\n1.0\n-3.215154 3.232741 5.018487\n3.215154 -3.232741 5.018487\n3.215154 3.232741 -5.018487\nAg O\n8 4\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.250000 0.750000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.750000 0.250000 Ag\n0.500000 0.500000 0.500000 Ag\n0.166188 0.887892 0.278296 O\n0.609596 0.387892 0.221704 O\n0.390404 0.612108 0.778296 O\n0.833812 0.112108 0.721704 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 7.377287939272943,
"density_atomic": 0.05751428965145442,
"volume": 208.64380091837828,
"volume_molar": 10.470686148599095,
"formula_full": "Ag8 O4",
"formula_reduced": "Ag2O",
"formula_anonymous": "AB2",
"energy": -45.92968391,
"energy_per_atom": -3.827473659166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.18168391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.818000Z",
"spacegroup": 72
},
{
"id": "mp-1046809",
"created_at": "2022-09-04T14:48:21.205837Z",
"structure_string": "Ag8 O12\n1.0\n1.655089 -5.505361 0.000000\n1.655089 5.505361 0.000000\n0.000000 0.000000 15.556947\nAg O\n8 12\ndirect\n0.635955 0.364045 0.048740 Ag\n0.364045 0.635955 0.951260 Ag\n0.635955 0.364045 0.451260 Ag\n0.364045 0.635955 0.548740 Ag\n0.094112 0.905888 0.633005 Ag\n0.905888 0.094112 0.366995 Ag\n0.905888 0.094112 0.133005 Ag\n0.094112 0.905888 0.866995 Ag\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.475316 0.524684 0.846276 O\n0.524684 0.475316 0.153724 O\n0.524684 0.475316 0.346276 O\n0.475316 0.524684 0.653724 O\n0.713159 0.286841 0.922946 O\n0.286841 0.713159 0.077054 O\n0.286841 0.713159 0.422946 O\n0.713159 0.286841 0.577054 O\n0.179631 0.820369 0.750000 O\n0.820369 0.179631 0.250000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.178949935751977,
"density_atomic": 0.07054536316992635,
"volume": 283.5055218558439,
"volume_molar": 8.536550794265741,
"formula_full": "Ag8 O12",
"formula_reduced": "Ag2O3",
"formula_anonymous": "A2B3",
"energy": -84.48675948,
"energy_per_atom": -4.224337974,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.24275948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3495397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:35.923000Z",
"spacegroup": 63
},
{
"id": "mp-546190",
"created_at": "2022-09-04T14:44:01.140639Z",
"structure_string": "Ag4 O6\n1.0\n0.000000 5.347520 6.571029\n1.891480 0.000000 6.571029\n1.891480 5.347520 0.000000\nAg O\n4 6\ndirect\n0.414567 0.179560 0.819352 Ag\n0.430648 0.663479 0.835433 Ag\n0.070440 0.835433 0.663479 Ag\n0.586521 0.819352 0.179560 Ag\n0.216663 0.947954 0.316739 O\n0.933261 0.731355 0.033337 O\n0.302046 0.033337 0.731355 O\n0.584627 0.415373 0.415373 O\n0.518645 0.316739 0.947954 O\n0.834627 0.665373 0.665373 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.589138742144621,
"density_atomic": 0.07522850814052662,
"volume": 132.92833059137675,
"volume_molar": 8.00513117813085,
"formula_full": "Ag4 O6",
"formula_reduced": "Ag2O3",
"formula_anonymous": "A2B3",
"energy": -44.611763,
"energy_per_atom": -4.4611763,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.489763,
"band_gap": 0.347,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.628000Z",
"spacegroup": 43
},
{
"id": "mp-11872",
"created_at": "2022-09-04T14:47:16.845529Z",
"structure_string": "Ag4 O6\n1.0\n5.106608 0.000000 0.000000\n0.000000 5.106608 0.000000\n0.000000 0.000000 5.106608\nAg O\n4 6\ndirect\n0.750000 0.250000 0.250000 Ag\n0.250000 0.250000 0.750000 Ag\n0.250000 0.750000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.577314962218024,
"density_atomic": 0.07509351548681747,
"volume": 133.16729061320189,
"volume_molar": 8.019521687005284,
"formula_full": "Ag4 O6",
"formula_reduced": "Ag2O3",
"formula_anonymous": "A2B3",
"energy": -42.90940957,
"energy_per_atom": -4.290940957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.78740957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9851903,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.148000Z",
"spacegroup": 224
},
{
"id": "mp-1195759",
"created_at": "2022-09-04T14:42:03.001312Z",
"structure_string": "Ag8 P8 H8 O28\n1.0\n0.000000 6.232233 14.055697\n3.576865 0.000000 14.055697\n3.576865 6.232233 0.000000\nAg P H O\n8 8 8 28\ndirect\n0.806080 0.292862 0.408230 Ag\n0.292862 0.806080 0.492828 Ag\n0.408230 0.492828 0.806080 Ag\n0.492828 0.408230 0.292862 Ag\n0.443920 0.957138 0.841770 Ag\n0.957138 0.443920 0.757172 Ag\n0.841770 0.757172 0.443920 Ag\n0.757172 0.841770 0.957138 Ag\n0.770534 0.373926 0.941251 P\n0.373926 0.770534 0.914289 P\n0.941251 0.914289 0.770534 P\n0.914289 0.941251 0.373926 P\n0.479466 0.876074 0.308749 P\n0.876074 0.479466 0.335711 P\n0.308749 0.335711 0.479466 P\n0.335711 0.308749 0.876074 P\n0.136466 0.136466 0.363534 H\n0.363534 0.363534 0.136466 H\n0.113534 0.113534 0.886466 H\n0.886466 0.886466 0.113534 H\n0.427570 0.072430 0.427570 H\n0.072430 0.427570 0.072430 H\n0.822430 0.177570 0.822430 H\n0.177570 0.822430 0.177570 H\n0.596345 0.596345 0.903655 O\n0.903655 0.903655 0.596345 O\n0.653655 0.653655 0.346345 O\n0.346345 0.346345 0.653655 O\n0.958628 0.308779 0.381234 O\n0.308779 0.958628 0.351359 O\n0.381234 0.351359 0.958628 O\n0.351359 0.381234 0.308779 O\n0.291372 0.941221 0.868766 O\n0.941221 0.291372 0.898641 O\n0.868766 0.898641 0.291372 O\n0.898641 0.868766 0.941221 O\n0.761287 0.153384 0.878133 O\n0.153384 0.761287 0.207196 O\n0.878133 0.207196 0.761287 O\n0.207196 0.878133 0.153384 O\n0.488713 0.096616 0.371867 O\n0.096616 0.488713 0.042804 O\n0.371867 0.042804 0.488713 O\n0.042804 0.371867 0.096616 O\n0.505291 0.077016 0.815680 O\n0.077016 0.505291 0.602013 O\n0.815680 0.602013 0.505291 O\n0.602013 0.815680 0.077016 O\n0.744709 0.172984 0.434320 O\n0.172984 0.744709 0.647987 O\n0.434320 0.647987 0.744709 O\n0.647987 0.434320 0.172984 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ag",
"P",
"H",
"O"
],
"chemical_system": "Ag-H-O-P",
"density": 4.151730680908129,
"density_atomic": 0.08298024844997637,
"volume": 626.6551495244988,
"volume_molar": 7.257318304644959,
"formula_full": "Ag8 P8 H8 O28",
"formula_reduced": "Ag2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -326.20218694,
"energy_per_atom": -6.273118979615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.96618694,
"band_gap": 2.1792,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004193,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.931000Z",
"spacegroup": 70
},
{
"id": "mp-667579",
"created_at": "2022-09-04T14:42:40.884752Z",
"structure_string": "Ag4 P4 Pb2 O14\n1.0\n5.506163 0.000000 0.000000\n-2.582745 6.619142 0.000000\n-0.593786 -3.673993 9.737080\nAg P Pb O\n4 4 2 14\ndirect\n0.469491 0.702316 0.193682 Ag\n0.935212 0.256846 0.973051 Ag\n0.064788 0.743154 0.026949 Ag\n0.530509 0.297684 0.806318 Ag\n0.327124 0.201492 0.163399 P\n0.672876 0.798508 0.836601 P\n0.091667 0.209066 0.638230 P\n0.908333 0.790934 0.361770 P\n0.225750 0.736246 0.630975 Pb\n0.774250 0.263754 0.369025 Pb\n0.053725 0.356304 0.727427 O\n0.736498 0.883755 0.955719 O\n0.685541 0.864520 0.340866 O\n0.365550 0.697350 0.851152 O\n0.946275 0.643696 0.272573 O\n0.812726 0.650237 0.806771 O\n0.187274 0.349763 0.193229 O\n0.798181 0.997795 0.697466 O\n0.201819 0.002205 0.302534 O\n0.123540 0.302531 0.489426 O\n0.876460 0.697469 0.510574 O\n0.314459 0.135480 0.659134 O\n0.634450 0.302650 0.148848 O\n0.263502 0.116245 0.044281 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"P",
"Pb",
"O"
],
"chemical_system": "Ag-O-P-Pb",
"density": 5.585813345077805,
"density_atomic": 0.0676288093876074,
"volume": 354.8783457423674,
"volume_molar": 8.904697294735346,
"formula_full": "Ag4 P4 Pb2 O14",
"formula_reduced": "Ag2P2PbO7",
"formula_anonymous": "AB2C2D7",
"energy": -114.59301669,
"energy_per_atom": -4.77470902875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.97501669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.878000Z",
"spacegroup": 2
}
]
}