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=-id&page=12127",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12125",
"results": [
{
"id": "mp-1013807",
"created_at": "2022-09-04T14:46:37.999807Z",
"structure_string": "Li12 Co8 Ge12 O48\n1.0\n-5.930888 5.930888 5.930888\n5.930888 -5.930888 5.930888\n5.930888 5.930888 -5.930888\nLi Co Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Li\n0.250000 0.875000 0.625000 Li\n0.625000 0.250000 0.875000 Li\n0.875000 0.750000 0.625000 Li\n0.875000 0.625000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.375000 0.125000 Li\n0.750000 0.125000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.125000 0.375000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.521772 0.403626 0.824436 O\n0.824436 0.521772 0.403626 O\n0.802664 0.881855 0.978228 O\n0.420809 0.096374 0.618145 O\n0.881855 0.403626 0.079191 O\n0.675564 0.079191 0.697336 O\n0.824436 0.802664 0.420809 O\n0.403626 0.824436 0.521772 O\n0.618145 0.697336 0.521772 O\n0.420809 0.824436 0.802664 O\n0.403626 0.079191 0.881855 O\n0.096374 0.978228 0.675564 O\n0.978228 0.675564 0.096374 O\n0.802664 0.420809 0.824436 O\n0.521772 0.618145 0.697336 O\n0.697336 0.521772 0.618145 O\n0.079191 0.881855 0.403626 O\n0.978228 0.802664 0.881855 O\n0.079191 0.697336 0.675564 O\n0.381855 0.302664 0.478228 O\n0.618145 0.420809 0.096374 O\n0.096374 0.618145 0.420809 O\n0.697336 0.675564 0.079191 O\n0.675564 0.096374 0.978228 O\n0.478228 0.596374 0.175564 O\n0.175564 0.478228 0.596374 O\n0.197336 0.118145 0.021772 O\n0.579191 0.903626 0.381855 O\n0.118145 0.596374 0.920809 O\n0.324436 0.920809 0.302664 O\n0.175564 0.197336 0.579191 O\n0.596374 0.175564 0.478228 O\n0.324436 0.903626 0.021772 O\n0.302664 0.324436 0.920809 O\n0.903626 0.381855 0.579191 O\n0.118145 0.021772 0.197336 O\n0.381855 0.579191 0.903626 O\n0.920809 0.302664 0.324436 O\n0.021772 0.197336 0.118145 O\n0.920809 0.118145 0.596374 O\n0.302664 0.478228 0.381855 O\n0.478228 0.381855 0.302664 O\n0.197336 0.579191 0.175564 O\n0.021772 0.324436 0.903626 O\n0.903626 0.021772 0.324436 O\n0.596374 0.920809 0.118145 O\n0.579191 0.175564 0.197336 O\n0.881855 0.978228 0.802664 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Li-O",
"density": 4.366640776607607,
"density_atomic": 0.09586737309296649,
"volume": 834.4862012899921,
"volume_molar": 6.281741708057533,
"formula_full": "Li12 Co8 Ge12 O48",
"formula_reduced": "Li3Co2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -509.88908449,
"energy_per_atom": -6.373613556125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -463.80908449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.308000Z",
"spacegroup": 230
},
{
"id": "mp-10138",
"created_at": "2022-09-04T14:47:36.779112Z",
"structure_string": "Y4 B16 Ru16\n1.0\n-3.748828 3.748828 7.530727\n3.748828 -3.748828 7.530727\n3.748828 3.748828 -7.530727\nY B Ru\n4 16 16\ndirect\n0.750000 0.750000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.250000 0.250000 0.000000 Y\n0.027941 0.500336 0.191316 B\n0.663375 0.190980 0.191316 B\n0.999664 0.472059 0.808684 B\n0.222059 0.913375 0.972395 B\n0.940980 0.249664 0.027605 B\n0.250336 0.559020 0.972395 B\n0.586625 0.277941 0.027605 B\n0.309020 0.836625 0.808684 B\n0.722059 0.749664 0.308684 B\n0.086625 0.059020 0.308684 B\n0.750336 0.777941 0.691316 B\n0.527941 0.336625 0.527605 B\n0.809020 0.000336 0.472395 B\n0.499664 0.690980 0.527605 B\n0.163375 0.972059 0.472395 B\n0.440980 0.413375 0.691316 B\n0.836212 0.303705 0.763512 Ru\n0.427300 0.959807 0.763512 Ru\n0.196295 0.663788 0.236488 Ru\n0.413788 0.677300 0.967493 Ru\n0.709807 0.446295 0.032507 Ru\n0.053705 0.790193 0.967493 Ru\n0.822700 0.086212 0.032507 Ru\n0.540193 0.072700 0.236488 Ru\n0.913788 0.946295 0.736488 Ru\n0.322700 0.290193 0.736488 Ru\n0.553705 0.586212 0.263512 Ru\n0.336212 0.572700 0.532507 Ru\n0.040193 0.803705 0.467493 Ru\n0.696295 0.459807 0.532507 Ru\n0.927300 0.163788 0.467493 Ru\n0.209807 0.177300 0.263512 Ru\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Y",
"B",
"Ru"
],
"chemical_system": "B-Ru-Y",
"density": 8.416549846219914,
"density_atomic": 0.08503830112084124,
"volume": 423.33865476502444,
"volume_molar": 7.081680467066728,
"formula_full": "Y4 B16 Ru16",
"formula_reduced": "Y(BRu)4",
"formula_anonymous": "AB4C4",
"energy": -298.85735178,
"energy_per_atom": -8.301593105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.85735178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0321679,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.654000Z",
"spacegroup": 142
},
{
"id": "mp-1013797",
"created_at": "2022-09-04T14:45:24.591406Z",
"structure_string": "Na12 Ge12 Mo8 O48\n1.0\n-6.300298 6.300298 6.300298\n6.300298 -6.300298 6.300298\n6.300298 6.300298 -6.300298\nNa Ge Mo O\n12 12 8 48\ndirect\n0.750000 0.625000 0.875000 Na\n0.250000 0.875000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.875000 0.750000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.250000 0.375000 0.125000 Na\n0.750000 0.125000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.125000 0.250000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.375000 0.125000 0.250000 Na\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.509560 0.394605 0.814159 O\n0.814159 0.509560 0.394605 O\n0.804599 0.885045 0.990440 O\n0.419554 0.105395 0.614955 O\n0.885045 0.394605 0.080446 O\n0.685841 0.080446 0.695401 O\n0.814159 0.804599 0.419554 O\n0.394605 0.814159 0.509560 O\n0.614955 0.695401 0.509560 O\n0.419554 0.814159 0.804599 O\n0.394605 0.080446 0.885045 O\n0.105395 0.990440 0.685841 O\n0.990440 0.685841 0.105395 O\n0.804599 0.419554 0.814159 O\n0.509560 0.614955 0.695401 O\n0.695401 0.509560 0.614955 O\n0.080446 0.885045 0.394605 O\n0.990440 0.804599 0.885045 O\n0.080446 0.695401 0.685841 O\n0.385045 0.304599 0.490440 O\n0.614955 0.419554 0.105395 O\n0.105395 0.614955 0.419554 O\n0.695401 0.685841 0.080446 O\n0.685841 0.105395 0.990440 O\n0.490440 0.605395 0.185841 O\n0.185841 0.490440 0.605395 O\n0.195401 0.114955 0.009560 O\n0.580446 0.894605 0.385045 O\n0.114955 0.605395 0.919554 O\n0.314159 0.919554 0.304599 O\n0.185841 0.195401 0.580446 O\n0.605395 0.185841 0.490440 O\n0.314159 0.894605 0.009560 O\n0.304599 0.314159 0.919554 O\n0.894605 0.385045 0.580446 O\n0.114955 0.009560 0.195401 O\n0.385045 0.580446 0.894605 O\n0.919554 0.304599 0.314159 O\n0.009560 0.195401 0.114955 O\n0.919554 0.114955 0.605395 O\n0.304599 0.490440 0.385045 O\n0.490440 0.385045 0.304599 O\n0.195401 0.580446 0.185841 O\n0.009560 0.314159 0.894605 O\n0.894605 0.009560 0.314159 O\n0.605395 0.919554 0.114955 O\n0.580446 0.185841 0.195401 O\n0.885045 0.990440 0.804599 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Na",
"Ge",
"Mo",
"O"
],
"chemical_system": "Ge-Mo-Na-O",
"density": 4.453837247015021,
"density_atomic": 0.07997361365356738,
"volume": 1000.3299381536881,
"volume_molar": 7.530159617504506,
"formula_full": "Na12 Ge12 Mo8 O48",
"formula_reduced": "Na3Ge3(MoO6)2",
"formula_anonymous": "A2B3C3D12",
"energy": -561.02226703,
"energy_per_atom": -7.012778337875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -502.43026703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9072002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.713000Z",
"spacegroup": 230
},
{
"id": "mp-1013796",
"created_at": "2022-09-04T14:46:30.218463Z",
"structure_string": "Li12 Ni8 Ge12 O48\n1.0\n-5.925632 5.925632 5.925632\n5.925632 -5.925632 5.925632\n5.925632 5.925632 -5.925632\nLi Ni Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Li\n0.250000 0.875000 0.625000 Li\n0.625000 0.250000 0.875000 Li\n0.875000 0.750000 0.625000 Li\n0.875000 0.625000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.375000 0.125000 Li\n0.750000 0.125000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.125000 0.375000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.522983 0.403709 0.824217 O\n0.824217 0.522983 0.403709 O\n0.801234 0.880726 0.977017 O\n0.420508 0.096291 0.619274 O\n0.880726 0.403709 0.079492 O\n0.675783 0.079492 0.698766 O\n0.824217 0.801234 0.420508 O\n0.403709 0.824217 0.522983 O\n0.619274 0.698766 0.522983 O\n0.420508 0.824217 0.801234 O\n0.403709 0.079492 0.880726 O\n0.096291 0.977017 0.675783 O\n0.977017 0.675783 0.096291 O\n0.801234 0.420508 0.824217 O\n0.522983 0.619274 0.698766 O\n0.698766 0.522983 0.619274 O\n0.079492 0.880726 0.403709 O\n0.977017 0.801234 0.880726 O\n0.079492 0.698766 0.675783 O\n0.380726 0.301234 0.477017 O\n0.619274 0.420508 0.096291 O\n0.096291 0.619274 0.420508 O\n0.698766 0.675783 0.079492 O\n0.675783 0.096291 0.977017 O\n0.477017 0.596291 0.175783 O\n0.175783 0.477017 0.596291 O\n0.198766 0.119274 0.022983 O\n0.579492 0.903709 0.380726 O\n0.119274 0.596291 0.920508 O\n0.324217 0.920508 0.301234 O\n0.175783 0.198766 0.579492 O\n0.596291 0.175783 0.477017 O\n0.324217 0.903709 0.022983 O\n0.301234 0.324217 0.920508 O\n0.903709 0.380726 0.579492 O\n0.119274 0.022983 0.198766 O\n0.380726 0.579492 0.903709 O\n0.920508 0.301234 0.324217 O\n0.022983 0.198766 0.119274 O\n0.920508 0.119274 0.596291 O\n0.301234 0.477017 0.380726 O\n0.477017 0.380726 0.301234 O\n0.198766 0.579492 0.175783 O\n0.022983 0.324217 0.903709 O\n0.903709 0.022983 0.324217 O\n0.596291 0.920508 0.119274 O\n0.579492 0.175783 0.198766 O\n0.880726 0.977017 0.801234 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Ge",
"O"
],
"chemical_system": "Ge-Li-Ni-O",
"density": 4.374443138689877,
"density_atomic": 0.096122700785957,
"volume": 832.2695819600563,
"volume_molar": 6.26505571603727,
"formula_full": "Li12 Ni8 Ge12 O48",
"formula_reduced": "Li3Ni2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -489.14358664,
"energy_per_atom": -6.114294833000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -435.83958664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0063332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.920000Z",
"spacegroup": 230
},
{
"id": "mp-1013795",
"created_at": "2022-09-04T14:48:29.563043Z",
"structure_string": "Li12 Ge12 Mo8 O48\n1.0\n-6.188598 6.188598 6.188598\n6.188598 -6.188598 6.188598\n6.188598 6.188598 -6.188598\nLi Ge Mo O\n12 12 8 48\ndirect\n0.750000 0.625000 0.875000 Li\n0.250000 0.875000 0.625000 Li\n0.625000 0.250000 0.875000 Li\n0.875000 0.750000 0.625000 Li\n0.875000 0.625000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.375000 0.125000 Li\n0.750000 0.125000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.125000 0.375000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.516748 0.398067 0.814674 O\n0.814674 0.516748 0.398067 O\n0.797926 0.881318 0.983252 O\n0.416608 0.101933 0.618682 O\n0.881318 0.398067 0.083392 O\n0.685326 0.083392 0.702074 O\n0.814674 0.797926 0.416608 O\n0.398067 0.814674 0.516748 O\n0.618682 0.702074 0.516748 O\n0.416608 0.814674 0.797926 O\n0.398067 0.083392 0.881318 O\n0.101933 0.983252 0.685326 O\n0.983252 0.685326 0.101933 O\n0.797926 0.416608 0.814674 O\n0.516748 0.618682 0.702074 O\n0.702074 0.516748 0.618682 O\n0.083392 0.881318 0.398067 O\n0.983252 0.797926 0.881318 O\n0.083392 0.702074 0.685326 O\n0.381318 0.297926 0.483252 O\n0.618682 0.416608 0.101933 O\n0.101933 0.618682 0.416608 O\n0.702074 0.685326 0.083392 O\n0.685326 0.101933 0.983252 O\n0.483252 0.601933 0.185326 O\n0.185326 0.483252 0.601933 O\n0.202074 0.118682 0.016748 O\n0.583392 0.898067 0.381318 O\n0.118682 0.601933 0.916608 O\n0.314674 0.916608 0.297926 O\n0.185326 0.202074 0.583392 O\n0.601933 0.185326 0.483252 O\n0.314674 0.898067 0.016748 O\n0.297926 0.314674 0.916608 O\n0.898067 0.381318 0.583392 O\n0.118682 0.016748 0.202074 O\n0.381318 0.583392 0.898067 O\n0.916608 0.297926 0.314674 O\n0.016748 0.202074 0.118682 O\n0.916608 0.118682 0.601933 O\n0.297926 0.483252 0.381318 O\n0.483252 0.381318 0.297926 O\n0.202074 0.583392 0.185326 O\n0.016748 0.314674 0.898067 O\n0.898067 0.016748 0.314674 O\n0.601933 0.916608 0.118682 O\n0.583392 0.185326 0.202074 O\n0.881318 0.983252 0.797926 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Ge",
"Mo",
"O"
],
"chemical_system": "Ge-Li-Mo-O",
"density": 4.362067855067459,
"density_atomic": 0.0843826534339974,
"volume": 948.0621519276419,
"volume_molar": 7.136704660170957,
"formula_full": "Li12 Ge12 Mo8 O48",
"formula_reduced": "Li3Ge3(MoO6)2",
"formula_anonymous": "A2B3C3D12",
"energy": -570.4101272400001,
"energy_per_atom": -7.130126590500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.81812724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.387000Z",
"spacegroup": 230
},
{
"id": "mp-1013794",
"created_at": "2022-09-04T14:45:04.515235Z",
"structure_string": "Na12 Co8 Ge12 O48\n1.0\n-6.063445 6.063445 6.063445\n6.063445 -6.063445 6.063445\n6.063445 6.063445 -6.063445\nNa Co Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Na\n0.250000 0.875000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.875000 0.750000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.250000 0.375000 0.125000 Na\n0.750000 0.125000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.125000 0.250000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.375000 0.125000 0.250000 Na\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.514600 0.403228 0.821704 O\n0.821704 0.514600 0.403228 O\n0.807104 0.888628 0.985400 O\n0.418476 0.096772 0.611372 O\n0.888628 0.403228 0.081524 O\n0.678296 0.081524 0.692896 O\n0.821704 0.807104 0.418476 O\n0.403228 0.821704 0.514600 O\n0.611372 0.692896 0.514600 O\n0.418476 0.821704 0.807104 O\n0.403228 0.081524 0.888628 O\n0.096772 0.985400 0.678296 O\n0.985400 0.678296 0.096772 O\n0.807104 0.418476 0.821704 O\n0.514600 0.611372 0.692896 O\n0.692896 0.514600 0.611372 O\n0.081524 0.888628 0.403228 O\n0.985400 0.807104 0.888628 O\n0.081524 0.692896 0.678296 O\n0.388628 0.307104 0.485400 O\n0.611372 0.418476 0.096772 O\n0.096772 0.611372 0.418476 O\n0.692896 0.678296 0.081524 O\n0.678296 0.096772 0.985400 O\n0.485400 0.596772 0.178296 O\n0.178296 0.485400 0.596772 O\n0.192896 0.111372 0.014600 O\n0.581524 0.903228 0.388628 O\n0.111372 0.596772 0.918476 O\n0.321704 0.918476 0.307104 O\n0.178296 0.192896 0.581524 O\n0.596772 0.178296 0.485400 O\n0.321704 0.903228 0.014600 O\n0.307104 0.321704 0.918476 O\n0.903228 0.388628 0.581524 O\n0.111372 0.014600 0.192896 O\n0.388628 0.581524 0.903228 O\n0.918476 0.307104 0.321704 O\n0.014600 0.192896 0.111372 O\n0.918476 0.111372 0.596772 O\n0.307104 0.485400 0.388628 O\n0.485400 0.388628 0.307104 O\n0.192896 0.581524 0.178296 O\n0.014600 0.321704 0.903228 O\n0.903228 0.014600 0.321704 O\n0.596772 0.918476 0.111372 O\n0.581524 0.178296 0.192896 O\n0.888628 0.985400 0.807104 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Na",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Na-O",
"density": 4.445105820566604,
"density_atomic": 0.08971636476905052,
"volume": 891.6990808303193,
"volume_molar": 6.7124217254035,
"formula_full": "Na12 Co8 Ge12 O48",
"formula_reduced": "Na3Co2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -498.53588961,
"energy_per_atom": -6.231698620125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -452.45588961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0003958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.677000Z",
"spacegroup": 230
},
{
"id": "mp-1013762",
"created_at": "2022-09-04T14:46:55.638940Z",
"structure_string": "Li4 Ti8 P8 O36\n1.0\n6.410525 0.000000 0.000000\n0.000000 7.642321 0.000000\n0.000000 0.000000 14.060627\nLi Ti P O\n4 8 8 36\ndirect\n0.750000 0.952306 0.773611 Li\n0.750000 0.547694 0.273611 Li\n0.250000 0.452306 0.726389 Li\n0.250000 0.047694 0.226389 Li\n0.750000 0.353128 0.879549 Ti\n0.250000 0.646872 0.120451 Ti\n0.250000 0.853128 0.620451 Ti\n0.750000 0.146872 0.379549 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.358226 0.931978 P\n0.750000 0.641774 0.068022 P\n0.750000 0.858226 0.568022 P\n0.250000 0.141774 0.431978 P\n0.750000 0.377044 0.689955 P\n0.750000 0.122956 0.189955 P\n0.250000 0.877044 0.810045 P\n0.250000 0.622956 0.310045 P\n0.050313 0.608136 0.372590 O\n0.550313 0.391864 0.627410 O\n0.949687 0.108136 0.127410 O\n0.449687 0.891864 0.872590 O\n0.949687 0.391864 0.627410 O\n0.449687 0.608136 0.372590 O\n0.050313 0.891864 0.872590 O\n0.550313 0.108136 0.127410 O\n0.250000 0.329779 0.478227 O\n0.750000 0.670221 0.521773 O\n0.750000 0.829779 0.021773 O\n0.250000 0.170221 0.978227 O\n0.750000 0.133172 0.941468 O\n0.250000 0.866828 0.058532 O\n0.250000 0.633172 0.558532 O\n0.750000 0.366828 0.441468 O\n0.750000 0.207131 0.750715 O\n0.250000 0.792869 0.249285 O\n0.250000 0.707131 0.749285 O\n0.750000 0.292869 0.250715 O\n0.441112 0.125374 0.367092 O\n0.941112 0.874626 0.632908 O\n0.558888 0.625374 0.132908 O\n0.058888 0.374626 0.867092 O\n0.558888 0.874626 0.632908 O\n0.058888 0.125374 0.367092 O\n0.441112 0.374626 0.867092 O\n0.941112 0.625374 0.132908 O\n0.750000 0.505706 0.988199 O\n0.250000 0.020946 0.732181 O\n0.250000 0.479054 0.232181 O\n0.750000 0.520946 0.767819 O\n0.750000 0.994294 0.488199 O\n0.250000 0.005706 0.511801 O\n0.250000 0.494294 0.011801 O\n0.750000 0.979054 0.267819 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 2.9758123891186985,
"density_atomic": 0.08129511803870229,
"volume": 688.848252527784,
"volume_molar": 7.407752033932751,
"formula_full": "Li4 Ti8 P8 O36",
"formula_reduced": "LiTi2P2O9",
"formula_anonymous": "AB2C2D9",
"energy": -460.12131713,
"energy_per_atom": -8.216452091607144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -435.38931713,
"band_gap": 0.0425000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0061204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.825000Z",
"spacegroup": 62
},
{
"id": "mp-1013760",
"created_at": "2022-09-04T14:44:17.561353Z",
"structure_string": "Sn10 S8 Cl4\n1.0\n7.316507 0.000000 0.000000\n3.641877 8.473970 0.000000\n3.623354 2.840154 9.536855\nSn S Cl\n10 8 4\ndirect\n0.162024 0.747671 0.746056 Sn\n0.837976 0.252329 0.253944 Sn\n0.246037 0.133335 0.431599 Sn\n0.306106 0.367084 0.067023 Sn\n0.753963 0.866665 0.568401 Sn\n0.693894 0.632916 0.932977 Sn\n0.095492 0.711899 0.256590 Sn\n0.904508 0.288101 0.743410 Sn\n0.563991 0.788799 0.242162 Sn\n0.436009 0.211201 0.757838 Sn\n0.499202 0.491822 0.185954 S\n0.776669 0.141733 0.562437 S\n0.674369 0.011940 0.314533 S\n0.981439 0.357006 0.939698 S\n0.500798 0.508178 0.814046 S\n0.223331 0.858267 0.437563 S\n0.325631 0.988060 0.685467 S\n0.018561 0.642994 0.060302 S\n0.242853 0.946216 0.065417 Cl\n0.757147 0.053784 0.934583 Cl\n0.754326 0.552662 0.433961 Cl\n0.245674 0.447338 0.566039 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sn",
"density": 4.452468164643772,
"density_atomic": 0.03720718268432423,
"volume": 591.2836826871288,
"volume_molar": 16.185425301059386,
"formula_full": "Sn10 S8 Cl4",
"formula_reduced": "Sn5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy": -98.1020313,
"energy_per_atom": -4.45918324090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.6220313,
"band_gap": 1.2428,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.979000Z",
"spacegroup": 2
},
{
"id": "mp-1013750",
"created_at": "2022-09-04T14:47:59.354681Z",
"structure_string": "Sn8 S2 F12\n1.0\n4.340859 -6.284732 0.000000\n4.340859 6.284732 0.000000\n0.000000 0.000000 8.895499\nSn S F\n8 2 12\ndirect\n0.679988 0.320012 0.852960 Sn\n0.320012 0.679988 0.352960 Sn\n0.812615 0.642319 0.332090 Sn\n0.357681 0.187385 0.332090 Sn\n0.849489 0.150511 0.440999 Sn\n0.187385 0.357681 0.832090 Sn\n0.642319 0.812615 0.832090 Sn\n0.150511 0.849489 0.940999 Sn\n0.663400 0.336600 0.562009 S\n0.336600 0.663400 0.062009 S\n0.918328 0.732605 0.103210 F\n0.267395 0.081672 0.103210 F\n0.851031 0.148969 0.887434 F\n0.081672 0.267395 0.603210 F\n0.732605 0.918328 0.603210 F\n0.148969 0.851031 0.387434 F\n0.006019 0.491666 0.325304 F\n0.616212 0.383788 0.216128 F\n0.508334 0.993981 0.325304 F\n0.993981 0.508334 0.825304 F\n0.383788 0.616212 0.716128 F\n0.491666 0.006019 0.825304 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"S",
"F"
],
"chemical_system": "F-S-Sn",
"density": 4.248491913317467,
"density_atomic": 0.045327308095909444,
"volume": 485.3586264917723,
"volume_molar": 13.28589985369872,
"formula_full": "Sn8 S2 F12",
"formula_reduced": "Sn4SF6",
"formula_anonymous": "AB4C6",
"energy": -111.31629151,
"energy_per_atom": -5.059831432272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.76629151,
"band_gap": 2.4495000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.371000Z",
"spacegroup": 36
},
{
"id": "mp-1013749",
"created_at": "2022-09-04T14:46:22.380879Z",
"structure_string": "Li12 Ti8 Ge12 O48\n1.0\n-6.090052 6.090052 6.090052\n6.090052 -6.090052 6.090052\n6.090052 6.090052 -6.090052\nLi Ti Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Li\n0.250000 0.875000 0.625000 Li\n0.625000 0.250000 0.875000 Li\n0.875000 0.750000 0.625000 Li\n0.875000 0.625000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.375000 0.125000 Li\n0.750000 0.125000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.125000 0.375000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.517515 0.399966 0.817851 O\n0.817851 0.517515 0.399966 O\n0.800336 0.882451 0.982485 O\n0.417885 0.100034 0.617549 O\n0.882451 0.399966 0.082115 O\n0.682149 0.082115 0.699664 O\n0.817851 0.800336 0.417885 O\n0.399966 0.817851 0.517515 O\n0.617549 0.699664 0.517515 O\n0.417885 0.817851 0.800336 O\n0.399966 0.082115 0.882451 O\n0.100034 0.982485 0.682149 O\n0.982485 0.682149 0.100034 O\n0.800336 0.417885 0.817851 O\n0.517515 0.617549 0.699664 O\n0.699664 0.517515 0.617549 O\n0.082115 0.882451 0.399966 O\n0.982485 0.800336 0.882451 O\n0.082115 0.699664 0.682149 O\n0.382451 0.300336 0.482485 O\n0.617549 0.417885 0.100034 O\n0.100034 0.617549 0.417885 O\n0.699664 0.682149 0.082115 O\n0.682149 0.100034 0.982485 O\n0.482485 0.600034 0.182149 O\n0.182149 0.482485 0.600034 O\n0.199664 0.117549 0.017515 O\n0.582115 0.899966 0.382451 O\n0.117549 0.600034 0.917885 O\n0.317851 0.917885 0.300336 O\n0.182149 0.199664 0.582115 O\n0.600034 0.182149 0.482485 O\n0.317851 0.899966 0.017515 O\n0.300336 0.317851 0.917885 O\n0.899966 0.382451 0.582115 O\n0.117549 0.017515 0.199664 O\n0.382451 0.582115 0.899966 O\n0.917885 0.300336 0.317851 O\n0.017515 0.199664 0.117549 O\n0.917885 0.117549 0.600034 O\n0.300336 0.482485 0.382451 O\n0.482485 0.382451 0.300336 O\n0.199664 0.582115 0.182149 O\n0.017515 0.317851 0.899966 O\n0.899966 0.017515 0.317851 O\n0.600034 0.917885 0.117549 O\n0.582115 0.182149 0.199664 O\n0.882451 0.982485 0.800336 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Ti",
"density": 3.8704330412793606,
"density_atomic": 0.08854560160827477,
"volume": 903.4892591720088,
"volume_molar": 6.801174367352448,
"formula_full": "Li12 Ti8 Ge12 O48",
"formula_reduced": "Li3Ti2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -577.53914947,
"energy_per_atom": -7.219239368375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -544.56314947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9988856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.538000Z",
"spacegroup": 230
},
{
"id": "mp-1013738",
"created_at": "2022-09-04T14:41:25.647002Z",
"structure_string": "Ca3 Sb1 As1\n1.0\n5.750000 0.000000 0.000000\n0.000000 5.750000 0.000000\n0.000000 0.000000 5.750000\nCa Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"As"
],
"chemical_system": "As-Ca-Sb",
"density": 2.7681472027088563,
"density_atomic": 0.026300649297279526,
"volume": 190.109375,
"volume_molar": 22.8973083209125,
"formula_full": "Ca3 Sb1 As1",
"formula_reduced": "Ca3SbAs",
"formula_anonymous": "ABC3",
"energy": -17.15254364,
"energy_per_atom": -3.4305087280000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.96054364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.900000Z",
"spacegroup": 221
},
{
"id": "mp-1013737",
"created_at": "2022-09-04T14:41:05.278744Z",
"structure_string": "Ba3 Sb1 P1\n1.0\n6.113177 0.000000 0.000000\n0.000000 6.113177 0.000000\n0.000000 0.000000 6.113177\nBa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"P"
],
"chemical_system": "Ba-P-Sb",
"density": 4.104661299636232,
"density_atomic": 0.021886135966706178,
"volume": 228.4551282878871,
"volume_molar": 27.51577879787028,
"formula_full": "Ba3 Sb1 P1",
"formula_reduced": "Ba3SbP",
"formula_anonymous": "ABC3",
"energy": -19.71126192,
"energy_per_atom": -3.9422523839999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.51926192,
"band_gap": 0.2991999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.087000Z",
"spacegroup": 221
}
]
}