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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10225",
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"results": [
{
"id": "mp-1043039",
"created_at": "2022-09-04T14:44:26.047119Z",
"structure_string": "Sr4 Y2 Mn2 Cu4 O14\n1.0\n5.298276 0.001711 -1.222736\n-0.283135 5.290552 -1.234568\n0.067386 0.088621 12.384714\nSr Y Mn Cu O\n4 2 2 4 14\ndirect\n0.330738 0.343579 0.701212 Sr\n0.629562 0.657288 0.298547 Sr\n0.830889 0.858412 0.701071 Sr\n0.129519 0.142130 0.298568 Sr\n0.983041 0.000472 0.999772 Y\n0.483120 0.500508 0.999799 Y\n0.274289 0.685152 0.500118 Mn\n0.774462 0.316275 0.499821 Mn\n0.912233 0.430670 0.858890 Cu\n0.053228 0.570252 0.140337 Cu\n0.412458 0.929484 0.859237 Cu\n0.553313 0.071669 0.140659 Cu\n0.132222 0.340266 0.499733 O\n0.632447 0.660509 0.499755 O\n0.177709 0.195733 0.875378 O\n0.302888 0.805846 0.124586 O\n0.678215 0.180810 0.875210 O\n0.802988 0.820355 0.124498 O\n0.663212 0.680318 0.875068 O\n0.788060 0.320567 0.124796 O\n0.162983 0.695285 0.875068 O\n0.287970 0.306640 0.124401 O\n0.302797 0.838126 0.655366 O\n0.648016 0.163231 0.344596 O\n0.803871 0.319688 0.655303 O\n0.148122 0.683167 0.345090 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Sr-Y",
"density": 5.323669826595148,
"density_atomic": 0.07466852253513137,
"volume": 348.2056309305847,
"volume_molar": 8.065166626494578,
"formula_full": "Sr4 Y2 Mn2 Cu4 O14",
"formula_reduced": "Sr2YMnCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -185.98823452,
"energy_per_atom": -7.1533936353846155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.03423452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8545903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.352000Z",
"spacegroup": 46
},
{
"id": "mp-1046905",
"created_at": "2022-09-04T14:44:23.979576Z",
"structure_string": "Sr4 Y2 Mn4 Al2 O14\n1.0\n-2.852448 2.963312 11.072851\n2.852448 -2.963312 11.072851\n2.852448 2.963312 -11.072851\nSr Y Mn Al O\n4 2 4 2 14\ndirect\n0.814076 0.833601 0.959547 Sr\n0.185924 0.145471 0.019525 Sr\n0.625946 0.645471 0.959547 Sr\n0.374054 0.333601 0.019525 Sr\n0.500000 0.489255 0.989255 Y\n0.000000 0.989255 0.989255 Y\n0.919957 0.398165 0.486346 Mn\n0.080043 0.566390 0.478208 Mn\n0.588181 0.066390 0.486346 Mn\n0.411819 0.898165 0.478208 Mn\n0.169291 0.758768 0.428059 Al\n0.830709 0.258768 0.589477 Al\n0.927380 0.562328 0.989707 O\n0.072620 0.062328 0.634948 O\n0.733367 0.709801 0.573699 O\n0.266633 0.840332 0.976434 O\n0.363898 0.340332 0.573699 O\n0.636102 0.209801 0.976434 O\n0.121513 0.103222 0.369567 O\n0.878487 0.248054 0.981709 O\n0.766345 0.748054 0.369567 O\n0.233655 0.603222 0.981709 O\n0.381109 0.781054 0.524670 O\n0.618891 0.143561 0.399945 O\n0.243615 0.643561 0.524670 O\n0.756385 0.281054 0.399945 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Mn-O-Sr-Y",
"density": 4.55073225770107,
"density_atomic": 0.06944784677197165,
"volume": 374.38165772611546,
"volume_molar": 8.671457849187727,
"formula_full": "Sr4 Y2 Mn4 Al2 O14",
"formula_reduced": "Sr2YMn2AlO7",
"formula_anonymous": "ABC2D2E7",
"energy": -210.14475669,
"energy_per_atom": -8.082490641923076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.85475669,
"band_gap": 0.3918999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 19.9989915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.908000Z",
"spacegroup": 46
},
{
"id": "mp-1047071",
"created_at": "2022-09-04T14:47:24.009918Z",
"structure_string": "Sr4 Y2 Mn4 Ga2 O14\n1.0\n-2.845634 2.913522 11.226975\n2.845634 -2.913522 11.226975\n2.845634 2.913522 -11.226975\nSr Y Mn Ga O\n4 2 4 2 14\ndirect\n0.375680 0.836202 0.514161 Sr\n0.624320 0.138482 0.460522 Sr\n0.822040 0.336202 0.460522 Sr\n0.177960 0.638482 0.514161 Sr\n0.000000 0.499279 0.499279 Y\n0.500000 0.999279 0.499279 Y\n0.583571 0.576707 0.998247 Mn\n0.921540 0.914676 0.998247 Mn\n0.078460 0.076707 0.993136 Mn\n0.416429 0.414676 0.993136 Mn\n0.826754 0.708428 0.035181 Ga\n0.173246 0.208428 0.881674 Ga\n0.693550 0.678797 0.496907 O\n0.884298 0.372145 0.756443 O\n0.681890 0.178797 0.985247 O\n0.234405 0.202412 0.082065 O\n0.812784 0.815111 0.495847 O\n0.819264 0.315111 0.002327 O\n0.115702 0.872145 0.487847 O\n0.318110 0.303358 0.496907 O\n0.306450 0.803358 0.985247 O\n0.620347 0.702412 0.968007 O\n0.765595 0.847660 0.968007 O\n0.379653 0.347660 0.082065 O\n0.187216 0.683063 0.002327 O\n0.180736 0.183063 0.495847 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr-Y",
"density": 4.957140613880407,
"density_atomic": 0.06983180344216289,
"volume": 372.3231925627425,
"volume_molar": 8.623779514713158,
"formula_full": "Sr4 Y2 Mn4 Ga2 O14",
"formula_reduced": "Sr2YMn2GaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -202.42058204,
"energy_per_atom": -7.785407001538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.13058204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9269625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.519000Z",
"spacegroup": 46
},
{
"id": "mp-1218597",
"created_at": "2022-09-04T14:43:07.463525Z",
"structure_string": "Sr4 Y2 Mn4 O14\n1.0\n5.530498 0.000003 -0.000003\n0.000007 2.765502 -9.679434\n0.000003 5.667999 0.038023\nSr Y Mn O\n4 2 4 14\ndirect\n0.249997 0.999523 0.253068 Sr\n0.749999 0.000471 0.746926 Sr\n0.249998 0.369366 0.078448 Sr\n0.749999 0.630655 0.921573 Sr\n0.750000 0.358640 0.542402 Y\n0.250001 0.641335 0.457567 Y\n0.750005 0.196551 0.149015 Mn\n0.250004 0.201120 0.652052 Mn\n0.250005 0.803453 0.851046 Mn\n0.750001 0.798927 0.347972 Mn\n0.249998 0.609317 0.876778 O\n0.749997 0.390674 0.123194 O\n0.750004 0.589430 0.491665 O\n0.250007 0.410569 0.508365 O\n0.749999 0.997840 0.199047 O\n0.249999 0.002131 0.800956 O\n0.991706 0.227166 0.868198 O\n0.508289 0.227165 0.868195 O\n0.008315 0.772830 0.131793 O\n0.491680 0.772830 0.131791 O\n0.500728 0.185761 0.418283 O\n0.999270 0.185763 0.418277 O\n0.499294 0.814242 0.581696 O\n0.000703 0.814243 0.581694 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr-Y",
"density": 5.309524848409321,
"density_atomic": 0.07894700967142895,
"volume": 304.001381431495,
"volume_molar": 7.628079625895472,
"formula_full": "Sr4 Y2 Mn4 O14",
"formula_reduced": "Sr2YMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -193.36566633,
"energy_per_atom": -8.056902763750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.07566633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0002592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.604000Z",
"spacegroup": 11
},
{
"id": "mp-1047345",
"created_at": "2022-09-04T14:39:39.319344Z",
"structure_string": "Sr4 Y2 Mn4 O14\n1.0\n-2.632630 2.655608 12.781388\n2.632630 -2.655608 12.781388\n2.632630 2.655608 -12.781388\nSr Y Mn O\n4 2 4 14\ndirect\n0.821269 0.777820 0.956551 Sr\n0.178731 0.222180 0.043449 Sr\n0.678731 0.635282 0.956551 Sr\n0.321269 0.364718 0.043449 Sr\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.421291 0.926138 0.504847 Mn\n0.578709 0.073862 0.495153 Mn\n0.078709 0.583556 0.504847 Mn\n0.921291 0.416444 0.495153 Mn\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.196191 0.196191 0.500000 O\n0.303809 0.803809 0.000000 O\n0.803809 0.803809 0.500000 O\n0.696191 0.196191 0.000000 O\n0.692398 0.692398 0.500000 O\n0.807602 0.307602 0.000000 O\n0.307602 0.307602 0.500000 O\n0.192398 0.692398 0.000000 O\n0.847368 0.332491 0.485124 O\n0.152632 0.667509 0.514876 O\n0.652632 0.137756 0.485124 O\n0.347368 0.862244 0.514876 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr-Y",
"density": 4.5158489869368825,
"density_atomic": 0.06714589041865511,
"volume": 357.43066106294555,
"volume_molar": 8.968740636920455,
"formula_full": "Sr4 Y2 Mn4 O14",
"formula_reduced": "Sr2YMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -188.087689,
"energy_per_atom": -7.836987041666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -171.797689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9931322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.229000Z",
"spacegroup": 74
},
{
"id": "mp-1047328",
"created_at": "2022-09-04T14:39:15.469291Z",
"structure_string": "Sr4 Y2 Mo4 O14\n1.0\n-2.740567 2.889093 13.529583\n2.740567 -2.889093 13.529583\n2.740567 2.889093 -13.529583\nSr Y Mo O\n4 2 4 14\ndirect\n0.780459 0.720834 0.876745 Sr\n0.155911 0.279166 0.059625 Sr\n0.655911 0.596286 0.876745 Sr\n0.280459 0.403714 0.059625 Sr\n0.512421 0.500000 0.012421 Y\n0.012421 0.000000 0.012421 Y\n0.434381 0.924095 0.510685 Mo\n0.586591 0.075905 0.510287 Mo\n0.086591 0.576304 0.510685 Mo\n0.934381 0.423696 0.510287 Mo\n0.991769 0.552744 0.044513 O\n0.491769 0.447256 0.439026 O\n0.200780 0.193327 0.498671 O\n0.305344 0.806673 0.007453 O\n0.805344 0.797891 0.498671 O\n0.700780 0.202109 0.007453 O\n0.728791 0.696231 0.526203 O\n0.829972 0.303769 0.032560 O\n0.329972 0.297412 0.526203 O\n0.228791 0.702588 0.032560 O\n0.927562 0.376784 0.597572 O\n0.220787 0.623216 0.550778 O\n0.720787 0.170010 0.597572 O\n0.427562 0.829990 0.550778 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Y",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sr-Y",
"density": 4.402482452413254,
"density_atomic": 0.056009912363779925,
"volume": 428.4955820698649,
"volume_molar": 10.751919626095246,
"formula_full": "Sr4 Y2 Mo4 O14",
"formula_reduced": "Sr2YMo2O7",
"formula_anonymous": "AB2C2D7",
"energy": -191.57145158000003,
"energy_per_atom": -7.982143815833335,
"energy_above_hull": null,
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"energy_uncorrected": -169.14545158,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.9843731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.132000Z",
"spacegroup": 46
},
{
"id": "mp-6019",
"created_at": "2022-09-04T14:40:36.102723Z",
"structure_string": "Sr4 Y2 Nb2 O12\n1.0\n5.963180 0.000000 0.000000\n0.000000 5.858437 0.000000\n0.000000 5.828992 8.336643\nSr Y Nb O\n4 2 2 12\ndirect\n0.460431 0.258631 0.750662 Sr\n0.960431 0.741369 0.749338 Sr\n0.039569 0.258631 0.250662 Sr\n0.539569 0.741369 0.249338 Sr\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.196122 0.733831 0.542517 O\n0.696122 0.266169 0.957483 O\n0.803878 0.266169 0.457483 O\n0.303878 0.733831 0.042517 O\n0.723564 0.646406 0.547118 O\n0.223564 0.353594 0.952882 O\n0.276436 0.353594 0.452882 O\n0.776436 0.646406 0.047118 O\n0.026819 0.180435 0.735263 O\n0.526819 0.819565 0.764737 O\n0.973181 0.819565 0.264737 O\n0.473181 0.180435 0.235263 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sr-Y",
"density": 5.166221561680661,
"density_atomic": 0.06867190714722946,
"volume": 291.23990916869263,
"volume_molar": 8.769438639717409,
"formula_full": "Sr4 Y2 Nb2 O12",
"formula_reduced": "Sr2YNbO6",
"formula_anonymous": "ABC2D6",
"energy": -168.69731309999997,
"energy_per_atom": -8.434865655,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -160.4533131,
"band_gap": 3.2249,
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"total_magnetization": 0.0006948,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.789000Z",
"spacegroup": 14
},
{
"id": "mp-1047522",
"created_at": "2022-09-04T14:44:57.245006Z",
"structure_string": "Sr4 Y2 Ni4 O14\n1.0\n-2.692370 2.704106 11.682554\n2.692370 -2.704106 11.682554\n2.692370 2.704106 -11.682554\nSr Y Ni O\n4 2 4 14\ndirect\n0.840861 0.795857 0.976215 Sr\n0.180358 0.204143 0.045004 Sr\n0.680358 0.635355 0.976215 Sr\n0.340861 0.364645 0.045004 Sr\n0.516753 0.500000 0.016753 Y\n0.016753 0.000000 0.016753 Y\n0.432712 0.925052 0.523571 Ni\n0.598519 0.074948 0.507660 Ni\n0.098519 0.590860 0.523571 Ni\n0.932712 0.409140 0.507660 Ni\n0.013664 0.510153 0.023817 O\n0.513664 0.489847 0.503510 O\n0.197323 0.202835 0.515383 O\n0.312548 0.797165 0.994488 O\n0.812548 0.818060 0.515383 O\n0.697323 0.181940 0.994488 O\n0.711631 0.676519 0.516687 O\n0.840168 0.323481 0.035112 O\n0.340168 0.305056 0.516687 O\n0.211631 0.694944 0.035112 O\n0.854613 0.304404 0.480021 O\n0.175617 0.695596 0.550209 O\n0.675617 0.125408 0.480021 O\n0.354613 0.874592 0.550209 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Y",
"Ni",
"O"
],
"chemical_system": "Ni-O-Sr-Y",
"density": 4.817647756258046,
"density_atomic": 0.07054317439323365,
"volume": 340.21718198014673,
"volume_molar": 8.536815661895746,
"formula_full": "Sr4 Y2 Ni4 O14",
"formula_reduced": "Sr2YNi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -163.1948676,
"energy_per_atom": -6.79978615,
"energy_above_hull": null,
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"energy_uncorrected": -143.4128676,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.310000Z",
"spacegroup": 46
},
{
"id": "mp-1105147",
"created_at": "2022-09-04T14:46:20.952240Z",
"structure_string": "Sr4 Y2 Os2 O12\n1.0\n5.846439 0.000000 0.000000\n0.000000 5.885426 0.000000\n-5.816993 0.000000 8.276128\nSr Y Os O\n4 2 2 12\ndirect\n0.257788 0.033586 0.750928 Sr\n0.257788 0.466414 0.250928 Sr\n0.742212 0.966414 0.249072 Sr\n0.742212 0.533586 0.749072 Sr\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.191388 0.480937 0.766303 O\n0.191388 0.019063 0.266303 O\n0.808612 0.519063 0.233697 O\n0.808612 0.980937 0.733697 O\n0.731276 0.199806 0.461277 O\n0.731276 0.300194 0.961277 O\n0.268724 0.800194 0.538723 O\n0.268724 0.699806 0.038723 O\n0.656411 0.728773 0.459941 O\n0.656411 0.771227 0.959941 O\n0.343589 0.271227 0.540059 O\n0.343589 0.228773 0.040059 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Os",
"O"
],
"chemical_system": "O-Os-Sr-Y",
"density": 6.418582038026508,
"density_atomic": 0.07023174683309553,
"volume": 284.77150151952844,
"volume_molar": 8.57467033293577,
"formula_full": "Sr4 Y2 Os2 O12",
"formula_reduced": "Sr2YOsO6",
"formula_anonymous": "ABC2D6",
"energy": -159.0577734,
"energy_per_atom": -7.95288867,
"energy_above_hull": null,
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"energy_uncorrected": -150.8137734,
"band_gap": 0.173,
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"is_magnetic": true,
"total_magnetization": 6.0103358,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.012000Z",
"spacegroup": 14
},
{
"id": "mp-14430",
"created_at": "2022-09-04T14:47:02.288820Z",
"structure_string": "Sr4 Y2 Ru2 O12\n1.0\n5.885394 0.000000 0.000000\n0.000000 5.816658 0.000000\n0.000000 5.759659 8.254665\nSr Y Ru O\n4 2 2 12\ndirect\n0.537407 0.740713 0.750540 Sr\n0.037407 0.259287 0.749460 Sr\n0.962593 0.740713 0.250540 Sr\n0.462593 0.259287 0.249460 Sr\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.520692 0.810027 0.266314 O\n0.020692 0.189973 0.233686 O\n0.479308 0.189973 0.733686 O\n0.979308 0.810027 0.766314 O\n0.772010 0.653585 0.541917 O\n0.272010 0.346415 0.958083 O\n0.227990 0.346415 0.458083 O\n0.727990 0.653585 0.041917 O\n0.198519 0.731540 0.039264 O\n0.698519 0.268460 0.460736 O\n0.801481 0.268460 0.960736 O\n0.301481 0.731540 0.539264 O\n",
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"elements": [
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"O"
],
"chemical_system": "O-Ru-Sr-Y",
"density": 5.420400820723878,
"density_atomic": 0.07077525961051391,
"volume": 282.584622226224,
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"formula_full": "Sr4 Y2 Ru2 O12",
"formula_reduced": "Sr2YRuO6",
"formula_anonymous": "ABC2D6",
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"formation_energy": null,
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"energy_uncorrected": -146.31379286,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.332000Z",
"spacegroup": 14
},
{
"id": "mp-12878",
"created_at": "2022-09-04T14:41:03.503129Z",
"structure_string": "Sr4 Y2 Sb2 O12\n1.0\n5.934255 0.000000 0.000000\n0.000000 5.866656 0.000000\n0.000000 5.832933 8.331750\nSr Y Sb O\n4 2 2 12\ndirect\n0.534986 0.758734 0.749648 Sr\n0.034986 0.241266 0.750352 Sr\n0.465014 0.241266 0.250352 Sr\n0.965014 0.758734 0.249648 Sr\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.977157 0.686178 0.735247 O\n0.477157 0.313822 0.764753 O\n0.022843 0.313822 0.264753 O\n0.522843 0.686178 0.235247 O\n0.300418 0.767446 0.959742 O\n0.800418 0.232554 0.540258 O\n0.699582 0.232554 0.040258 O\n0.199582 0.767446 0.459742 O\n0.726224 0.846868 0.456811 O\n0.226224 0.153132 0.043189 O\n0.273776 0.153132 0.543189 O\n0.773776 0.846868 0.956811 O\n",
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"elements": [
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"chemical_system": "O-Sb-Sr-Y",
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"volume": 290.0634833088896,
"volume_molar": 8.734015629110218,
"formula_full": "Sr4 Y2 Sb2 O12",
"formula_reduced": "Sr2YSbO6",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.271000Z",
"spacegroup": 14
},
{
"id": "mp-1048111",
"created_at": "2022-09-04T14:46:09.336626Z",
"structure_string": "Sr4 Y2 Sb4 O14\n1.0\n-12.723066 2.916072 3.121772\n12.723066 -2.916072 3.121772\n12.723066 2.916072 -3.121772\nSr Y Sb O\n4 2 4 14\ndirect\n0.765271 0.716820 0.680874 Sr\n0.035946 0.084395 0.319126 Sr\n0.765271 0.584395 0.548451 Sr\n0.035946 0.216820 0.451549 Sr\n0.022202 0.522202 0.500000 Y\n0.022202 0.022202 0.000000 Y\n0.539383 0.470098 0.926153 Sb\n0.543945 0.613230 0.073847 Sb\n0.539383 0.113230 0.569286 Sb\n0.543945 0.970098 0.430714 Sb\n0.970896 0.920369 0.550525 O\n0.369844 0.420369 0.449475 O\n0.472552 0.221816 0.153573 O\n0.068243 0.318981 0.846427 O\n0.472552 0.818980 0.750737 O\n0.068243 0.721816 0.249263 O\n0.666680 0.794800 0.740219 O\n0.054582 0.926460 0.259781 O\n0.666680 0.426460 0.371880 O\n0.054582 0.294800 0.628120 O\n0.540705 0.895843 0.350954 O\n0.544889 0.189750 0.649046 O\n0.540705 0.689750 0.144862 O\n0.544889 0.395843 0.855138 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Sb",
"O"
],
"chemical_system": "O-Sb-Sr-Y",
"density": 4.442040532039286,
"density_atomic": 0.051803612545285586,
"volume": 463.28815348581577,
"volume_molar": 11.624943636383614,
"formula_full": "Sr4 Y2 Sb4 O14",
"formula_reduced": "Sr2YSb2O7",
"formula_anonymous": "AB2C2D7",
"energy": -165.16976602,
"energy_per_atom": -6.882073584166666,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:37:26.433000Z",
"spacegroup": 46
}
]
}