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=-nsites&page=12146",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12144",
"results": [
{
"id": "mp-1221413",
"created_at": "2022-09-04T14:47:58.188994Z",
"structure_string": "Mo1 Pd1\n1.0\n1.396948 -2.419585 0.000000\n1.396948 2.419585 0.000000\n0.000000 0.000000 4.566371\nMo Pd\n1 1\ndirect\n0.666667 0.333333 0.500000 Mo\n0.333333 0.666667 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"Pd"
],
"chemical_system": "Mo-Pd",
"density": 10.88557703326927,
"density_atomic": 0.06478995569364002,
"volume": 30.868982369073088,
"volume_molar": 9.29486784722582,
"formula_full": "Mo1 Pd1",
"formula_reduced": "MoPd",
"formula_anonymous": "AB",
"energy": -15.94526214,
"energy_per_atom": -7.97263107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.94526214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.499000Z",
"spacegroup": 187
},
{
"id": "mp-1216313",
"created_at": "2022-09-04T14:48:03.498585Z",
"structure_string": "V1 Ni1\n1.0\n4.312149 -1.275992 0.000000\n4.312149 1.275992 0.000000\n3.934575 0.000000 2.177591\nV Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Ni"
],
"chemical_system": "Ni-V",
"density": 7.597136040713457,
"density_atomic": 0.08346069112272847,
"volume": 23.96337692745692,
"volume_molar": 7.215541447104094,
"formula_full": "V1 Ni1",
"formula_reduced": "VNi",
"formula_anonymous": "AB",
"energy": -14.88963436,
"energy_per_atom": -7.44481718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.88963436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.042000Z",
"spacegroup": 166
},
{
"id": "mp-615",
"created_at": "2022-09-04T14:48:11.723531Z",
"structure_string": "Y1 Mg1\n1.0\n3.802465 0.000000 0.000000\n0.000000 3.802465 0.000000\n0.000000 0.000000 3.802465\nY Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.4193335917896244,
"density_atomic": 0.03637762317352013,
"volume": 54.97885308394291,
"volume_molar": 16.554519604743213,
"formula_full": "Y1 Mg1",
"formula_reduced": "YMg",
"formula_anonymous": "AB",
"energy": -8.28803227,
"energy_per_atom": -4.144016135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.28803227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0472096,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.505000Z",
"spacegroup": 221
},
{
"id": "mp-1094318",
"created_at": "2022-09-04T14:47:55.254853Z",
"structure_string": "Sr1 Mg1\n1.0\n5.646834 -2.041807 0.000000\n5.646834 2.041807 0.000000\n4.908548 0.000000 3.458592\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3303822457427046,
"density_atomic": 0.025077310544234604,
"volume": 79.75336894569062,
"volume_molar": 24.014300693758088,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -3.01583774,
"energy_per_atom": -1.50791887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01583774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0111156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.194000Z",
"spacegroup": 166
},
{
"id": "mp-177",
"created_at": "2022-09-04T14:47:05.578056Z",
"structure_string": "U1 Sb1\n1.0\n3.729796 0.000000 0.000000\n0.000000 3.729796 0.000000\n0.000000 0.000000 3.729796\nU Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Sb"
],
"chemical_system": "Sb-U",
"density": 11.5144085154828,
"density_atomic": 0.03854559545614842,
"volume": 51.886602770874546,
"volume_molar": 15.623421272220629,
"formula_full": "U1 Sb1",
"formula_reduced": "USb",
"formula_anonymous": "AB",
"energy": -16.03494212,
"energy_per_atom": -8.01747106,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.84294212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9400213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.787000Z",
"spacegroup": 221
},
{
"id": "mp-972692",
"created_at": "2022-09-04T14:47:07.371782Z",
"structure_string": "Sn1 Pb1\n1.0\n1.739230 -3.012434 0.000000\n1.739230 3.012434 0.000000\n0.000000 0.000000 5.717853\nSn Pb\n1 1\ndirect\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.500000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Pb"
],
"chemical_system": "Pb-Sn",
"density": 9.032526482523004,
"density_atomic": 0.03338047062991563,
"volume": 59.915272680655285,
"volume_molar": 18.040910287834432,
"formula_full": "Sn1 Pb1",
"formula_reduced": "SnPb",
"formula_anonymous": "AB",
"energy": -7.61297216,
"energy_per_atom": -3.80648608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.61297216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.781000Z",
"spacegroup": 187
},
{
"id": "mp-1221418",
"created_at": "2022-09-04T14:47:10.152188Z",
"structure_string": "Mo1 Os1\n1.0\n1.390878 -2.409071 0.000000\n1.390878 2.409071 0.000000\n0.000000 0.000000 4.507055\nMo Os\n1 1\ndirect\n0.666667 0.333333 0.500000 Mo\n0.333333 0.666667 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"Os"
],
"chemical_system": "Mo-Os",
"density": 15.733006061668924,
"density_atomic": 0.06621684810710125,
"volume": 30.20379340262671,
"volume_molar": 9.09457476782887,
"formula_full": "Mo1 Os1",
"formula_reduced": "MoOs",
"formula_anonymous": "AB",
"energy": -21.91664655,
"energy_per_atom": -10.958323275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.91664655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.285000Z",
"spacegroup": 187
},
{
"id": "mp-1006880",
"created_at": "2022-09-04T14:47:04.338488Z",
"structure_string": "Bi1 B1\n1.0\n0.000000 2.771190 2.771190\n2.771190 0.000000 2.771190\n2.771190 2.771190 0.000000\nBi B\n1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"B"
],
"chemical_system": "B-Bi",
"density": 8.574936006540474,
"density_atomic": 0.04698952885074167,
"volume": 42.56267404495231,
"volume_molar": 12.81592071103507,
"formula_full": "Bi1 B1",
"formula_reduced": "BiB",
"formula_anonymous": "AB",
"energy": -8.92681991,
"energy_per_atom": -4.463409955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.92681991,
"band_gap": 0.0922,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.589000Z",
"spacegroup": 216
},
{
"id": "mp-981458",
"created_at": "2022-09-04T14:47:06.146116Z",
"structure_string": "Yb1 Ta1\n1.0\n1.550715 -2.685917 0.000000\n1.550715 2.685917 0.000000\n0.000000 0.000000 5.399026\nYb Ta\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.500000 Ta\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Ta"
],
"chemical_system": "Ta-Yb",
"density": 13.069756601648919,
"density_atomic": 0.04446927051924422,
"volume": 44.97487763228528,
"volume_molar": 13.542252188269874,
"formula_full": "Yb1 Ta1",
"formula_reduced": "YbTa",
"formula_anonymous": "AB",
"energy": -12.01963121,
"energy_per_atom": -6.009815605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.01963121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2395319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.404000Z",
"spacegroup": 187
},
{
"id": "mp-1058159",
"created_at": "2022-09-04T14:47:02.270800Z",
"structure_string": "Na1 S1\n1.0\n3.400517 0.000000 0.000000\n0.000000 3.400517 0.000000\n0.000000 0.000000 3.400517\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 2.3249263165917364,
"density_atomic": 0.05086220039820761,
"volume": 39.32193228648598,
"volume_molar": 11.840110559220362,
"formula_full": "Na1 S1",
"formula_reduced": "NaS",
"formula_anonymous": "AB",
"energy": -6.86522834,
"energy_per_atom": -3.43261417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36222834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.924000Z",
"spacegroup": 221
},
{
"id": "mp-1017541",
"created_at": "2022-09-04T14:46:59.109232Z",
"structure_string": "Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.064275235468594,
"density_atomic": 0.05551413128133359,
"volume": 36.026862959710805,
"volume_molar": 10.847941994230434,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.96595299,
"energy_per_atom": -9.482976495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.96595299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.082000Z",
"spacegroup": 123
},
{
"id": "mp-22899",
"created_at": "2022-09-04T14:46:58.452834Z",
"structure_string": "Li1 I1\n1.0\n0.000000 3.012850 3.012850\n3.012850 0.000000 3.012850\n3.012850 3.012850 0.000000\nLi I\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 4.063406290322655,
"density_atomic": 0.0365651592898122,
"volume": 54.69687644864823,
"volume_molar": 16.46961445530443,
"formula_full": "Li1 I1",
"formula_reduced": "LiI",
"formula_anonymous": "AB",
"energy": -6.20449507,
"energy_per_atom": -3.102247535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.82549507,
"band_gap": 4.2793,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004007,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.497000Z",
"spacegroup": 225
}
]
}