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_anonymous&page=12094",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12092",
"results": [
{
"id": "mp-1522711",
"created_at": "2022-09-04T14:39:41.397715Z",
"structure_string": "Ba1 Sr1 Pr1 Co1 O6\n1.0\n0.000000 -4.175486 -4.175486\n4.175486 -0.000000 -4.175486\n4.175486 -4.175486 -0.000000\nBa Sr Pr Co O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 -0.000000 -0.000000 Co\n0.776264 0.223736 0.223736 O\n0.223736 0.776264 0.776264 O\n0.776264 0.223736 0.776264 O\n0.223736 0.776264 0.223736 O\n0.776264 0.776264 0.223736 O\n0.223736 0.223736 0.776264 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Pr-Sr",
"density": 5.939581466860356,
"density_atomic": 0.06868294500975416,
"volume": 145.59655236943942,
"volume_molar": 8.768029325394759,
"formula_full": "Ba1 Sr1 Pr1 Co1 O6",
"formula_reduced": "BaSrPrCoO6",
"formula_anonymous": "ABCDE6",
"energy": -69.53299806,
"energy_per_atom": -6.9532998059999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.77299806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.436000Z",
"spacegroup": 216
},
{
"id": "mp-1517289",
"created_at": "2022-09-04T14:39:39.918769Z",
"structure_string": "Sr1 Ca1 Nd1 Fe1 O6\n1.0\n0.000000 -4.023372 -4.023372\n4.023372 0.000000 -4.023372\n4.023372 -4.023372 0.000000\nSr Ca Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Fe\n0.730346 0.269654 0.269654 O\n0.269654 0.730346 0.730346 O\n0.730346 0.269654 0.730346 O\n0.269654 0.730346 0.269654 O\n0.730346 0.730346 0.269654 O\n0.269654 0.269654 0.730346 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nd",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Nd-O-Sr",
"density": 5.402445888039461,
"density_atomic": 0.07677139581232209,
"volume": 130.25684754314398,
"volume_molar": 7.844250708586733,
"formula_full": "Sr1 Ca1 Nd1 Fe1 O6",
"formula_reduced": "SrCaNdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -72.21255488,
"energy_per_atom": -7.221255488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.83455488,
"band_gap": 0.7082000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.848000Z",
"spacegroup": 216
},
{
"id": "mp-1517051",
"created_at": "2022-09-04T14:39:41.891615Z",
"structure_string": "K4 Sr4 Pr4 Bi4 O24\n1.0\n8.797468 0.000000 0.000000\n0.000000 8.766556 0.000000\n0.000000 0.000000 8.858907\nK Sr Pr Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 -0.000000 0.500000 K\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.987313 0.217091 0.276170 O\n0.012687 0.782909 0.276170 O\n0.012687 0.217091 0.723830 O\n0.987313 0.782909 0.723830 O\n0.280203 0.987468 0.198951 O\n0.280203 0.012532 0.801049 O\n0.719797 0.012532 0.198951 O\n0.719797 0.987468 0.801049 O\n0.213054 0.267608 0.987237 O\n0.786946 0.267608 0.012763 O\n0.213054 0.732392 0.012763 O\n0.786946 0.732392 0.987237 O\n0.512687 0.282909 0.223830 O\n0.487313 0.717091 0.223830 O\n0.487313 0.282909 0.776170 O\n0.512687 0.717091 0.776170 O\n0.219797 0.512532 0.301049 O\n0.219797 0.487468 0.698951 O\n0.780203 0.487468 0.301049 O\n0.780203 0.512532 0.698951 O\n0.286946 0.232392 0.512763 O\n0.713054 0.232392 0.487237 O\n0.286946 0.767608 0.487237 O\n0.713054 0.767608 0.512763 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Pr-Sr",
"density": 5.566672461527627,
"density_atomic": 0.05854544907393473,
"volume": 683.2298775176458,
"volume_molar": 10.286266234622056,
"formula_full": "K4 Sr4 Pr4 Bi4 O24",
"formula_reduced": "KSrPrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -256.69467972,
"energy_per_atom": -6.417366993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.20667972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.0000216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.820000Z",
"spacegroup": 48
},
{
"id": "mp-1043864",
"created_at": "2022-09-04T14:39:41.884960Z",
"structure_string": "Ca4 La4 Fe4 Sb4 O24\n1.0\n5.694020 5.582738 0.025115\n-5.761427 5.651897 0.014547\n0.007808 0.030549 8.102012\nCa La Fe Sb O\n4 4 4 4 24\ndirect\n0.534535 0.981601 0.253223 Ca\n0.036564 0.483225 0.251400 Ca\n0.481779 0.531741 0.753032 Ca\n0.978648 0.034223 0.753504 Ca\n0.520436 0.469085 0.247049 La\n0.016954 0.972691 0.247349 La\n0.467455 0.016094 0.748774 La\n0.968438 0.516493 0.746795 La\n0.249790 0.749163 0.999807 Fe\n0.249627 0.250421 0.502031 Fe\n0.749553 0.249566 0.001883 Fe\n0.749472 0.749302 0.500480 Fe\n0.750624 0.248259 0.499536 Sb\n0.250945 0.748825 0.498807 Sb\n0.749164 0.751472 0.998860 Sb\n0.248885 0.251345 0.999273 Sb\n0.318490 0.285401 0.762182 O\n0.816786 0.787118 0.761860 O\n0.285202 0.818107 0.262138 O\n0.788123 0.318696 0.262637 O\n0.200542 0.010899 0.948828 O\n0.705790 0.509811 0.948324 O\n0.507262 0.204305 0.446667 O\n0.005450 0.703669 0.449663 O\n0.202914 0.988664 0.556326 O\n0.703181 0.486208 0.558730 O\n0.490827 0.199693 0.054335 O\n0.992639 0.706190 0.054837 O\n0.717994 0.180829 0.738226 O\n0.220254 0.682108 0.736930 O\n0.684279 0.719119 0.237339 O\n0.182418 0.221304 0.238110 O\n0.495588 0.791290 0.549241 O\n0.993441 0.290144 0.552744 O\n0.789545 0.992009 0.050748 O\n0.295339 0.490891 0.049969 O\n0.505659 0.792467 0.945409 O\n0.006696 0.298162 0.946631 O\n0.794000 0.010393 0.442310 O\n0.294710 0.509011 0.444016 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Sb",
"O"
],
"chemical_system": "Ca-Fe-La-O-Sb",
"density": 5.766298800817344,
"density_atomic": 0.07672696406033552,
"volume": 521.3291114782717,
"volume_molar": 7.8487932290197095,
"formula_full": "Ca4 La4 Fe4 Sb4 O24",
"formula_reduced": "CaLaFeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -305.63171908,
"energy_per_atom": -7.640792976999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.11971908,
"band_gap": 1.9744,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.423000Z",
"spacegroup": 7
},
{
"id": "mp-1520385",
"created_at": "2022-09-04T14:39:41.824012Z",
"structure_string": "Sr1 Ca1 Dy1 Bi1 O6\n1.0\n0.000000 -4.280974 -4.280974\n4.280974 -0.000000 -4.280974\n4.280974 -4.280974 -0.000000\nSr Ca Dy Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Dy\n-0.000000 0.000000 0.000000 Bi\n0.755454 0.244546 0.244546 O\n0.244546 0.755454 0.755454 O\n0.755454 0.244546 0.755454 O\n0.244546 0.755454 0.244546 O\n0.755454 0.755454 0.244546 O\n0.244546 0.244546 0.755454 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Dy",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Dy-O-Sr",
"density": 6.298481612938757,
"density_atomic": 0.0637297527726257,
"volume": 156.91258109344764,
"volume_molar": 9.449496503596563,
"formula_full": "Sr1 Ca1 Dy1 Bi1 O6",
"formula_reduced": "SrCaDyBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.72995398,
"energy_per_atom": -6.8729953980000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.60795398,
"band_gap": 2.0169,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.776000Z",
"spacegroup": 216
},
{
"id": "mp-1519815",
"created_at": "2022-09-04T14:39:41.444540Z",
"structure_string": "Sr1 Ca1 Nb1 W1 O6\n1.0\n-0.000000 -4.103132 -4.103132\n4.103132 0.000000 -4.103132\n4.103132 -4.103132 0.000000\nSr Ca Nb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 W\n0.756509 0.243491 0.243491 O\n0.243491 0.756509 0.756509 O\n0.756509 0.243491 0.756509 O\n0.243491 0.756509 0.243491 O\n0.756509 0.756509 0.243491 O\n0.243491 0.243491 0.756509 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nb",
"W",
"O"
],
"chemical_system": "Ca-Nb-O-Sr-W",
"density": 6.014857296327155,
"density_atomic": 0.07238082656316061,
"volume": 138.15813489327658,
"volume_molar": 8.320077354663791,
"formula_full": "Sr1 Ca1 Nb1 W1 O6",
"formula_reduced": "SrCaNbWO6",
"formula_anonymous": "ABCDE6",
"energy": -84.60932432,
"energy_per_atom": -8.460932432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.04932432,
"band_gap": 0.6203000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.581000Z",
"spacegroup": 216
},
{
"id": "mp-1049069",
"created_at": "2022-09-04T14:39:37.510362Z",
"structure_string": "La2 Zn2 Cr2 Cu2 O12\n1.0\n5.425481 0.000000 0.000000\n0.000000 5.432231 0.000000\n0.000000 5.347213 7.600495\nLa Zn Cr Cu O\n2 2 2 2 12\ndirect\n0.290872 0.749416 0.247765 La\n0.709128 0.749416 0.747765 La\n0.781454 0.254517 0.235412 Zn\n0.218546 0.254517 0.735412 Zn\n0.237434 0.989025 0.495407 Cr\n0.762566 0.989025 0.995407 Cr\n0.243117 0.488846 0.000612 Cu\n0.756883 0.488846 0.500612 Cu\n0.822381 0.322077 0.752518 O\n0.981893 0.138599 0.070825 O\n0.036087 0.761355 0.455033 O\n0.546349 0.264246 0.053956 O\n0.543700 0.914387 0.439131 O\n0.278722 0.617532 0.749340 O\n0.177619 0.322077 0.252518 O\n0.018107 0.138599 0.570825 O\n0.963913 0.761355 0.955033 O\n0.453651 0.264246 0.553956 O\n0.456300 0.914387 0.939131 O\n0.721278 0.617532 0.249340 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-La-O-Zn",
"density": 6.165389898227551,
"density_atomic": 0.08928358939035429,
"volume": 224.00533106435225,
"volume_molar": 6.744958173299651,
"formula_full": "La2 Zn2 Cr2 Cu2 O12",
"formula_reduced": "LaZnCrCuO6",
"formula_anonymous": "ABCDE6",
"energy": -140.01842874,
"energy_per_atom": -7.000921437,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.77642874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.998707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.003000Z",
"spacegroup": 7
},
{
"id": "mp-40761",
"created_at": "2022-09-04T14:48:16.402870Z",
"structure_string": "Sr1 La1 Mn1 Co1 O6\n1.0\n0.000000 3.875640 3.875640\n3.875640 0.000000 3.875640\n3.875640 3.875640 0.000000\nSr La Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Co\n0.999034 0.500966 0.500966 O\n0.500966 0.500966 0.999034 O\n0.999034 0.500966 0.999034 O\n0.500966 0.999034 0.500966 O\n0.999034 0.999034 0.500966 O\n0.500966 0.999034 0.999034 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-La-Mn-O-Sr",
"density": 6.223958643676583,
"density_atomic": 0.08588942902785952,
"volume": 116.4287632737243,
"volume_molar": 7.011504009470862,
"formula_full": "Sr1 La1 Mn1 Co1 O6",
"formula_reduced": "SrLaMnCoO6",
"formula_anonymous": "ABCDE6",
"energy": -77.44445824,
"energy_per_atom": -7.7444458240000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.01645824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9948905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.555000Z",
"spacegroup": 216
},
{
"id": "mp-1517481",
"created_at": "2022-09-04T14:48:17.958082Z",
"structure_string": "K4 La4 Eu4 Sb4 O24\n1.0\n8.388402 0.000000 0.000000\n0.000000 8.492306 0.000000\n0.000000 0.000000 8.468877\nK La Eu Sb O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n-0.000000 0.500000 -0.000000 K\n-0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 La\n0.500000 0.000000 -0.000000 La\n-0.000000 0.000000 -0.000000 La\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.750000 Eu\n0.250000 0.750000 0.250000 Eu\n0.750000 0.250000 0.250000 Eu\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.016747 0.214704 0.274262 O\n0.983253 0.785296 0.274262 O\n0.983253 0.214704 0.725738 O\n0.016747 0.785296 0.725738 O\n0.279998 0.015949 0.194681 O\n0.279998 0.984051 0.805319 O\n0.720002 0.984051 0.194681 O\n0.720002 0.015949 0.805319 O\n0.211924 0.262291 0.016357 O\n0.788076 0.262291 0.983643 O\n0.211924 0.737709 0.983643 O\n0.788076 0.737709 0.016357 O\n0.483253 0.285296 0.225738 O\n0.516747 0.714704 0.225738 O\n0.516747 0.285296 0.774262 O\n0.483253 0.714704 0.774262 O\n0.220002 0.484051 0.305319 O\n0.220002 0.515949 0.694681 O\n0.779998 0.515949 0.305319 O\n0.779998 0.484051 0.694681 O\n0.288076 0.237709 0.483643 O\n0.711924 0.237709 0.516357 O\n0.288076 0.762291 0.516357 O\n0.711924 0.762291 0.483643 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-K-La-O-Sb",
"density": 6.0303191816532,
"density_atomic": 0.06630240719921747,
"volume": 603.2963460860905,
"volume_molar": 9.08283879031028,
"formula_full": "K4 La4 Eu4 Sb4 O24",
"formula_reduced": "KLaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -309.05695278,
"energy_per_atom": -7.726423819500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -292.56895278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.649000Z",
"spacegroup": 48
},
{
"id": "mp-1522558",
"created_at": "2022-09-04T14:48:18.278695Z",
"structure_string": "Ba1 Ca1 Bi1 Sb1 O6\n1.0\n0.000000 -4.293503 -4.293503\n4.293503 0.000000 -4.293503\n4.293503 -4.293503 0.000000\nBa Ca Bi Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n0.733503 0.266497 0.266497 O\n0.266497 0.733503 0.733503 O\n0.733503 0.266497 0.733503 O\n0.266497 0.733503 0.266497 O\n0.733503 0.733503 0.266497 O\n0.266497 0.266497 0.733503 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Bi",
"Sb",
"O"
],
"chemical_system": "Ba-Bi-Ca-O-Sb",
"density": 6.337568623462862,
"density_atomic": 0.06317346414342138,
"volume": 158.2943113155424,
"volume_molar": 9.53270624249457,
"formula_full": "Ba1 Ca1 Bi1 Sb1 O6",
"formula_reduced": "BaCaBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -64.94959084,
"energy_per_atom": -6.4949590839999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.82759084,
"band_gap": 1.6858000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.515000Z",
"spacegroup": 216
},
{
"id": "mp-1517088",
"created_at": "2022-09-04T14:48:13.072241Z",
"structure_string": "K1 La1 Zr1 Cr1 O6\n1.0\n0.000000 -4.026193 -4.026193\n4.026193 0.000000 -4.026193\n4.026193 -4.026193 0.000000\nK La Zr Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.758923 0.241077 0.241077 O\n0.241077 0.758923 0.758923 O\n0.758923 0.241077 0.758923 O\n0.241077 0.758923 0.241077 O\n0.758923 0.758923 0.241077 O\n0.241077 0.241077 0.758923 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-K-La-O-Zr",
"density": 5.307631138067867,
"density_atomic": 0.07661013647934585,
"volume": 130.53102969860925,
"volume_molar": 7.860762343927652,
"formula_full": "K1 La1 Zr1 Cr1 O6",
"formula_reduced": "KLaZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -83.25600342,
"energy_per_atom": -8.325600342,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.13500342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.296000Z",
"spacegroup": 216
},
{
"id": "mp-1521324",
"created_at": "2022-09-04T14:48:11.485785Z",
"structure_string": "Sr1 Hf1 Zr1 Sn1 O6\n1.0\n0.000000 -4.169559 -4.169559\n4.169559 -0.000000 -4.169559\n4.169559 -4.169559 0.000000\nSr Hf Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Sn\n0.751811 0.248189 0.248189 O\n0.248189 0.751811 0.751811 O\n0.751811 0.248189 0.751811 O\n0.248189 0.751811 0.248189 O\n0.751811 0.751811 0.248189 O\n0.248189 0.248189 0.751811 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Hf",
"Zr",
"Sn",
"O"
],
"chemical_system": "Hf-O-Sn-Sr-Zr",
"density": 6.552023294012093,
"density_atomic": 0.06897625858763692,
"volume": 144.97741983634305,
"volume_molar": 8.73074429276074,
"formula_full": "Sr1 Hf1 Zr1 Sn1 O6",
"formula_reduced": "SrHfZrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -86.19554483,
"energy_per_atom": -8.619554483,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.07354483,
"band_gap": 2.6775,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.203000Z",
"spacegroup": 216
}
]
}