HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-created_at&page=27",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-created_at&page=25",
"results": [
{
"id": "oqmd-1729236",
"created_at": "2022-09-04T16:03:17.054269Z",
"updated_at": "2022-09-04T16:03:17.054299Z",
"structure_string": "Sr1 Nd2 Mo1 O6\n1.0\n3.029196 1.748907 4.709824\n-3.029196 1.748907 4.709824\n0.000000 -3.497814 4.709824\nMo Nd O Sr\n1 2 6 1\ndirect\n0.500000 0.500000 0.500000 Mo\n0.278060 0.278060 0.278060 Nd\n0.721940 0.721940 0.721940 Nd\n0.397618 0.694543 0.149877 O\n0.850123 0.602382 0.305457 O\n0.694543 0.149877 0.397618 O\n0.305457 0.850123 0.602382 O\n0.149877 0.397618 0.694543 O\n0.602382 0.305457 0.850123 O\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mo",
"Nd",
"O",
"Sr"
],
"chemical_system": "Mo-Nd-O-Sr",
"density": 6.300547680985207,
"density_atomic": 0.06679592686206245,
"volume": 149.70972737081098,
"volume_molar": 9.015730513682485,
"formula_full": "Sr1 Nd2 Mo1 O6",
"formula_reduced": "SrNd2MoO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.943413488527252,
"spacegroup": 148
},
{
"id": "oqmd-1755162",
"created_at": "2022-09-04T16:03:17.052368Z",
"updated_at": "2022-09-04T16:03:17.052389Z",
"structure_string": "V2 Zn2 O6\n1.0\n2.531431 1.461522 4.597854\n-2.531431 1.461522 4.597854\n0.000000 -2.923044 4.597854\nO V Zn\n6 2 2\ndirect\n0.776288 0.437732 0.050839 O\n0.562268 0.949161 0.223712 O\n0.050839 0.776288 0.437732 O\n0.949161 0.223712 0.562268 O\n0.437732 0.050839 0.776288 O\n0.223712 0.562268 0.949161 O\n0.152135 0.152135 0.152135 V\n0.847865 0.847865 0.847865 V\n0.361187 0.361187 0.361187 Zn\n0.638813 0.638813 0.638813 Zn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"O",
"V",
"Zn"
],
"chemical_system": "O-V-Zn",
"density": 5.347705568174501,
"density_atomic": 0.09797654525320812,
"volume": 102.06524402504958,
"volume_molar": 6.146512662225975,
"formula_full": "V2 Zn2 O6",
"formula_reduced": "VZnO3",
"formula_anonymous": "ABC3",
"formation_energy": -2.112686371584175,
"spacegroup": 148
},
{
"id": "oqmd-1736611",
"created_at": "2022-09-04T16:03:17.050960Z",
"updated_at": "2022-09-04T16:03:17.050988Z",
"structure_string": "Hg3 Ru1 F6\n1.0\n4.992108 0.000000 0.000000\n-2.496054 4.323293 0.000000\n0.000000 0.000000 7.124625\nF Hg Ru\n6 3 1\ndirect\n0.691947 0.000000 0.159965 F\n0.308053 0.308053 0.159965 F\n0.000000 0.691947 0.159965 F\n0.308053 0.000000 0.840035 F\n0.000000 0.308053 0.840035 F\n0.691947 0.691947 0.840035 F\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"F",
"Hg",
"Ru"
],
"chemical_system": "F-Hg-Ru",
"density": 8.821051297204074,
"density_atomic": 0.06503383239978781,
"volume": 153.7661188183741,
"volume_molar": 9.260012116431337,
"formula_full": "Hg3 Ru1 F6",
"formula_reduced": "Hg3RuF6",
"formula_anonymous": "AB3C6",
"formation_energy": -1.510142600968544,
"spacegroup": 162
},
{
"id": "oqmd-1728044",
"created_at": "2022-09-04T16:03:17.044586Z",
"updated_at": "2022-09-04T16:03:17.044607Z",
"structure_string": "Li1 Tl2 Cr1 H6\n1.0\n0.000000 3.669364 3.669364\n3.669364 0.000000 3.669364\n3.669364 3.669364 0.000000\nCr H Li Tl\n1 6 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.766069 0.233931 0.233931 H\n0.233931 0.766069 0.233931 H\n0.766069 0.766069 0.233931 H\n0.233931 0.233931 0.766069 H\n0.766069 0.233931 0.766069 H\n0.233931 0.766069 0.766069 H\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cr",
"H",
"Li",
"Tl"
],
"chemical_system": "Cr-H-Li-Tl",
"density": 7.9615415467499435,
"density_atomic": 0.10120398578225706,
"volume": 98.81033758408738,
"volume_molar": 5.950497614744925,
"formula_full": "Li1 Tl2 Cr1 H6",
"formula_reduced": "LiTl2CrH6",
"formula_anonymous": "ABC2D6",
"formation_energy": 0.192786203689495,
"spacegroup": 225
},
{
"id": "oqmd-1730621",
"created_at": "2022-09-04T16:03:17.042339Z",
"updated_at": "2022-09-04T16:03:17.042365Z",
"structure_string": "Eu2 Er1 Re1 O6\n1.0\n-2.805586 2.805586 4.140213\n2.805586 -2.805586 4.140213\n2.805586 2.805586 -4.140213\nEr Eu O Re\n1 2 6 1\ndirect\n0.500000 0.500000 0.000000 Er\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.239831 0.239831 0.000000 O\n0.760169 0.760169 0.000000 O\n0.307591 0.836199 0.143790 O\n0.163801 0.307591 0.471392 O\n0.836199 0.692409 0.528608 O\n0.692409 0.163801 0.856210 O\n0.000000 0.000000 0.000000 Re\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Eu",
"O",
"Re"
],
"chemical_system": "Er-Eu-O-Re",
"density": 9.59708479315236,
"density_atomic": 0.07671320941970022,
"volume": 130.35564638274624,
"volume_molar": 7.850200513776828,
"formula_full": "Eu2 Er1 Re1 O6",
"formula_reduced": "Eu2ErReO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.059090205027252,
"spacegroup": 87
},
{
"id": "oqmd-1720330",
"created_at": "2022-09-04T16:03:17.033758Z",
"updated_at": "2022-09-04T16:03:17.033776Z",
"structure_string": "Nd1 Hg1 C2 O6\n1.0\n2.700504 1.559137 5.435360\n-2.700504 1.559137 5.435360\n0.000000 -3.118273 5.435360\nC Hg Nd O\n2 1 1 6\ndirect\n0.255232 0.255232 0.255232 C\n0.744768 0.744768 0.744768 C\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Nd\n0.513994 0.208840 0.041945 O\n0.041945 0.513994 0.208840 O\n0.791160 0.958055 0.486006 O\n0.208840 0.041945 0.513994 O\n0.958055 0.486006 0.791160 O\n0.486006 0.791160 0.958055 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"C",
"Hg",
"Nd",
"O"
],
"chemical_system": "C-Hg-Nd-O",
"density": 5.621512381565682,
"density_atomic": 0.07282683322133393,
"volume": 137.31202576951534,
"volume_molar": 8.269123472247689,
"formula_full": "Nd1 Hg1 C2 O6",
"formula_reduced": "NdHg(CO3)2",
"formula_anonymous": "ABC2D6",
"formation_energy": -1.906489188023879,
"spacegroup": 148
},
{
"id": "oqmd-1719771",
"created_at": "2022-09-04T16:03:17.030907Z",
"updated_at": "2022-09-04T16:03:17.030936Z",
"structure_string": "Mg2 Rh2 O6\n1.0\n2.652806 1.531598 4.262312\n-2.652806 1.531598 4.262312\n0.000000 -3.063196 4.262312\nMg O Rh\n2 6 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.384249 0.750000 0.115751 O\n0.884249 0.615751 0.250000 O\n0.750000 0.115751 0.384249 O\n0.250000 0.884249 0.615751 O\n0.115751 0.384249 0.750000 O\n0.615751 0.250000 0.884249 O\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"O",
"Rh"
],
"chemical_system": "Mg-O-Rh",
"density": 5.5999995429479155,
"density_atomic": 0.09623947188473603,
"volume": 103.90746960848651,
"volume_molar": 6.257454079977278,
"formula_full": "Mg2 Rh2 O6",
"formula_reduced": "MgRhO3",
"formula_anonymous": "ABC3",
"formation_energy": -1.6622529023605872,
"spacegroup": 167
},
{
"id": "oqmd-1738565",
"created_at": "2022-09-04T16:03:17.029094Z",
"updated_at": "2022-09-04T16:03:17.029115Z",
"structure_string": "Li8 V1 O6\n1.0\n2.668941 1.540914 4.942447\n-2.668941 1.540914 4.942447\n0.000000 -3.081827 4.942447\nLi O V\n8 6 1\ndirect\n0.763874 0.488788 0.102504 Li\n0.511212 0.897496 0.236126 Li\n0.339733 0.339733 0.339733 Li\n0.102504 0.763874 0.488788 Li\n0.897496 0.236126 0.511212 Li\n0.660267 0.660267 0.660267 Li\n0.488788 0.102504 0.763874 Li\n0.236126 0.511212 0.897496 Li\n0.378122 0.768387 0.087761 O\n0.912239 0.621878 0.231613 O\n0.768387 0.087761 0.378122 O\n0.231613 0.912239 0.621878 O\n0.087761 0.378122 0.768387 O\n0.621878 0.231613 0.912239 O\n0.000000 0.000000 0.000000 V\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"O",
"V"
],
"chemical_system": "Li-O-V",
"density": 2.7567058902539316,
"density_atomic": 0.12299308854553287,
"volume": 121.95807242003602,
"volume_molar": 4.896324526211537,
"formula_full": "Li8 V1 O6",
"formula_reduced": "Li8VO6",
"formula_anonymous": "AB6C8",
"formation_energy": -2.119680508703809,
"spacegroup": 148
},
{
"id": "oqmd-1724894",
"created_at": "2022-09-04T16:03:17.028928Z",
"updated_at": "2022-09-04T16:03:17.028943Z",
"structure_string": "Hf2 Zn2 O6\n1.0\n2.670422 1.541769 4.749387\n-2.670422 1.541769 4.749387\n0.000000 -3.083537 4.749387\nHf O Zn\n2 6 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.750000 0.387785 0.112215 O\n0.612215 0.887785 0.250000 O\n0.112215 0.750000 0.387785 O\n0.887785 0.250000 0.612215 O\n0.387785 0.112215 0.750000 O\n0.250000 0.612215 0.887785 O\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hf",
"O",
"Zn"
],
"chemical_system": "Hf-O-Zn",
"density": 8.262683169223727,
"density_atomic": 0.08523384451365727,
"volume": 117.32428657958366,
"volume_molar": 7.065433683488316,
"formula_full": "Hf2 Zn2 O6",
"formula_reduced": "HfZnO3",
"formula_anonymous": "ABC3",
"formation_energy": -2.887279898527253,
"spacegroup": 167
},
{
"id": "oqmd-1723269",
"created_at": "2022-09-04T16:03:17.023912Z",
"updated_at": "2022-09-04T16:03:17.023932Z",
"structure_string": "Nd2 Fe1 Co1 O6\n1.0\n2.734255 1.578623 4.310403\n-2.734255 1.578623 4.310403\n0.000000 -3.157246 4.310403\nCo Fe Nd O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Fe\n0.248557 0.248557 0.248557 Nd\n0.751443 0.751443 0.751443 Nd\n0.316481 0.755494 0.175426 O\n0.824574 0.683519 0.244506 O\n0.755494 0.175426 0.316481 O\n0.244506 0.824574 0.683519 O\n0.175426 0.316481 0.755494 O\n0.683519 0.244506 0.824574 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Co",
"Fe",
"Nd",
"O"
],
"chemical_system": "Co-Fe-Nd-O",
"density": 7.426566598584301,
"density_atomic": 0.08958048971724698,
"volume": 111.63145045940394,
"volume_molar": 6.722603079094972,
"formula_full": "Nd2 Fe1 Co1 O6",
"formula_reduced": "Nd2FeCoO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.5865339755622463,
"spacegroup": 148
},
{
"id": "oqmd-1729195",
"created_at": "2022-09-04T16:03:17.023691Z",
"updated_at": "2022-09-04T16:03:17.023719Z",
"structure_string": "Sr2 Er1 Nb1 O6\n1.0\n2.932965 1.693348 4.726980\n-2.932965 1.693348 4.726980\n0.000000 -3.386696 4.726980\nEr Nb O Sr\n1 1 6 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Nb\n0.733116 0.336253 0.187761 O\n0.663747 0.812239 0.266884 O\n0.187761 0.733116 0.336253 O\n0.812239 0.266884 0.663747 O\n0.336253 0.187761 0.733116 O\n0.266884 0.663747 0.812239 O\n0.252475 0.252475 0.252475 Sr\n0.747525 0.747525 0.747525 Sr\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Nb",
"O",
"Sr"
],
"chemical_system": "Er-Nb-O-Sr",
"density": 6.264465005085196,
"density_atomic": 0.07099240439080631,
"volume": 140.86013969819882,
"volume_molar": 8.482795887358172,
"formula_full": "Sr2 Er1 Nb1 O6",
"formula_reduced": "Sr2ErNbO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.3309048695272523,
"spacegroup": 148
},
{
"id": "oqmd-1730616",
"created_at": "2022-09-04T16:03:17.021828Z",
"updated_at": "2022-09-04T16:03:17.021839Z",
"structure_string": "Ba2 La1 Te1 O6\n1.0\n-3.059372 3.059372 4.412842\n3.059372 -3.059372 4.412842\n3.059372 3.059372 -4.412842\nBa La O Te\n2 1 6 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 La\n0.235630 0.235630 0.000000 O\n0.764370 0.764370 0.000000 O\n0.287224 0.820541 0.107766 O\n0.179459 0.287224 0.466683 O\n0.820541 0.712776 0.533317 O\n0.712776 0.179459 0.892234 O\n0.000000 0.000000 0.000000 Te\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"O",
"Te"
],
"chemical_system": "Ba-La-O-Te",
"density": 6.404007641288449,
"density_atomic": 0.060528101949813555,
"volume": 165.21251580450067,
"volume_molar": 9.949330254884277,
"formula_full": "Ba2 La1 Te1 O6",
"formula_reduced": "Ba2LaTeO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.6339260568605853,
"spacegroup": 87
}
]
}