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=spacegroup&page=10189",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10187",
"results": [
{
"id": "mp-20432",
"created_at": "2022-09-04T14:40:25.736720Z",
"structure_string": "Fe4 Ge2\n1.0\n2.066434 -3.579169 0.000000\n2.066434 3.579169 0.000000\n0.000000 0.000000 5.008752\nFe Ge\n4 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge",
"density": 8.26250713604154,
"density_atomic": 0.0809819036851439,
"volume": 74.09062675690961,
"volume_molar": 7.436403055445534,
"formula_full": "Fe4 Ge2",
"formula_reduced": "Fe2Ge",
"formula_anonymous": "AB2",
"energy": -43.33133674,
"energy_per_atom": -7.221889456666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.33133674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8169323,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.751000Z",
"spacegroup": 194
},
{
"id": "mp-20706",
"created_at": "2022-09-04T14:40:25.861897Z",
"structure_string": "Eu2 P2 Pd2\n1.0\n2.079064 -3.601045 0.000000\n2.079064 3.601045 0.000000\n0.000000 0.000000 8.395235\nEu P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Eu\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"P",
"Pd"
],
"chemical_system": "Eu-P-Pd",
"density": 7.644603586063452,
"density_atomic": 0.04773006109881122,
"volume": 125.70694153478546,
"volume_molar": 12.617081607192807,
"formula_full": "Eu2 P2 Pd2",
"formula_reduced": "EuPPd",
"formula_anonymous": "ABC",
"energy": -48.22000726,
"energy_per_atom": -8.036667876666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.22000726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.284915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.496000Z",
"spacegroup": 194
},
{
"id": "mp-143",
"created_at": "2022-09-04T14:40:26.215768Z",
"structure_string": "Tm2\n1.0\n1.781323 -3.085341 0.000000\n1.781323 3.085341 0.000000\n0.000000 0.000000 5.513155\nTm\n2\ndirect\n0.333333 0.666667 0.250000 Tm\n0.666667 0.333333 0.750000 Tm\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.258074136749464,
"density_atomic": 0.03300304043644443,
"volume": 60.60047721516743,
"volume_molar": 18.247230195645557,
"formula_full": "Tm2",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -8.94449395,
"energy_per_atom": -4.472246975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.94449395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4632692,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.664000Z",
"spacegroup": 194
},
{
"id": "mp-1183610",
"created_at": "2022-09-04T14:40:26.265881Z",
"structure_string": "Ca2 Sm6\n1.0\n3.706349 -6.419585 0.000000\n3.706349 6.419585 0.000000\n0.000000 0.000000 5.938499\nCa Sm\n2 6\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.164491 0.328982 0.250000 Sm\n0.671018 0.835509 0.250000 Sm\n0.164491 0.835509 0.250000 Sm\n0.835509 0.671018 0.750000 Sm\n0.328982 0.164491 0.750000 Sm\n0.835509 0.164491 0.750000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Sm"
],
"chemical_system": "Ca-Sm",
"density": 5.772186664863961,
"density_atomic": 0.028309359188544905,
"volume": 282.5920553947798,
"volume_molar": 21.272614190563516,
"formula_full": "Ca2 Sm6",
"formula_reduced": "CaSm3",
"formula_anonymous": "AB3",
"energy": -31.50957018,
"energy_per_atom": -3.9386962725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.50957018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4665411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.850000Z",
"spacegroup": 194
},
{
"id": "mp-7897",
"created_at": "2022-09-04T14:40:26.592538Z",
"structure_string": "K6 P2\n1.0\n2.869769 -4.970586 0.000000\n2.869769 4.970586 0.000000\n0.000000 0.000000 10.147232\nK P\n6 2\ndirect\n0.333333 0.666667 0.578151 K\n0.666667 0.333333 0.078151 K\n0.666667 0.333333 0.421849 K\n0.333333 0.666667 0.921849 K\n0.000000 0.000000 0.750000 K\n0.000000 0.000000 0.250000 K\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 1.7009687848942099,
"density_atomic": 0.027634898208062385,
"volume": 289.4890344725796,
"volume_molar": 21.791796425879582,
"formula_full": "K6 P2",
"formula_reduced": "K3P",
"formula_anonymous": "AB3",
"energy": -19.14915311,
"energy_per_atom": -2.39364413875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.14915311,
"band_gap": 0.2117,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018894,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.165000Z",
"spacegroup": 194
},
{
"id": "mp-1077900",
"created_at": "2022-09-04T14:40:26.721576Z",
"structure_string": "Ce2 Ni2 Sn2\n1.0\n2.228576 -3.860007 0.000000\n2.228576 3.860007 0.000000\n0.000000 0.000000 7.762625\nCe Ni Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Sn"
],
"chemical_system": "Ce-Ni-Sn",
"density": 7.895783191834698,
"density_atomic": 0.04492593316323607,
"volume": 133.55315243423678,
"volume_molar": 13.404598048345177,
"formula_full": "Ce2 Ni2 Sn2",
"formula_reduced": "CeNiSn",
"formula_anonymous": "ABC",
"energy": -34.70184909,
"energy_per_atom": -5.783641515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.70184909,
"band_gap": 0.081199999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0155919,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.888000Z",
"spacegroup": 194
},
{
"id": "mp-113",
"created_at": "2022-09-04T14:40:26.996512Z",
"structure_string": "Tc2\n1.0\n1.380358 -2.390851 0.000000\n1.380358 2.390851 0.000000\n0.000000 0.000000 4.421340\nTc\n2\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.750000 Tc\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.152622748727236,
"density_atomic": 0.06853333067267706,
"volume": 29.182880510393204,
"volume_molar": 8.787170710792426,
"formula_full": "Tc2",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -20.72123982,
"energy_per_atom": -10.36061991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.72123982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.179000Z",
"spacegroup": 194
},
{
"id": "mp-1190852",
"created_at": "2022-09-04T14:40:27.074415Z",
"structure_string": "La2 Si20\n1.0\n4.749829 -8.226946 0.000000\n4.749829 8.226946 0.000000\n0.000000 0.000000 4.835430\nLa Si\n2 20\ndirect\n0.333333 0.666667 0.250000 La\n0.666667 0.333333 0.750000 La\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.045547 0.522774 0.750000 Si\n0.477226 0.522774 0.750000 Si\n0.477226 0.954453 0.750000 Si\n0.954453 0.477226 0.250000 Si\n0.522774 0.477226 0.250000 Si\n0.522774 0.045547 0.250000 Si\n0.183189 0.816811 0.750000 Si\n0.183189 0.366378 0.750000 Si\n0.633622 0.816811 0.750000 Si\n0.816811 0.183189 0.250000 Si\n0.816811 0.633622 0.250000 Si\n0.366378 0.183189 0.250000 Si\n0.144567 0.855433 0.250000 Si\n0.144567 0.289135 0.250000 Si\n0.710865 0.855433 0.250000 Si\n0.855433 0.144567 0.750000 Si\n0.855433 0.710865 0.750000 Si\n0.289135 0.144567 0.750000 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"La",
"Si"
],
"chemical_system": "La-Si",
"density": 3.6889172470942495,
"density_atomic": 0.058215812493819144,
"volume": 377.9041991784581,
"volume_molar": 10.344510369307958,
"formula_full": "La2 Si20",
"formula_reduced": "LaSi10",
"formula_anonymous": "AB10",
"energy": -116.4861088,
"energy_per_atom": -5.2948231272727275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.9061088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.976000Z",
"spacegroup": 194
},
{
"id": "mp-1183107",
"created_at": "2022-09-04T14:40:27.045160Z",
"structure_string": "Ac6 I2\n1.0\n3.961811 -6.862057 0.000000\n3.961811 6.862057 0.000000\n0.000000 0.000000 6.043381\nAc I\n6 2\ndirect\n0.168776 0.337551 0.250000 Ac\n0.662449 0.831224 0.250000 Ac\n0.168776 0.831224 0.250000 Ac\n0.831224 0.662449 0.750000 Ac\n0.337551 0.168776 0.750000 Ac\n0.831224 0.168776 0.750000 Ac\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"I"
],
"chemical_system": "Ac-I",
"density": 8.165467581750958,
"density_atomic": 0.024346242404384478,
"volume": 328.5928015963273,
"volume_molar": 24.73540129919795,
"formula_full": "Ac6 I2",
"formula_reduced": "Ac3I",
"formula_anonymous": "AB3",
"energy": -29.37834729,
"energy_per_atom": -3.67229341125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.62034729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.214000Z",
"spacegroup": 194
},
{
"id": "mp-570510",
"created_at": "2022-09-04T14:40:27.056173Z",
"structure_string": "Xe2\n1.0\n2.472063 -4.281739 0.000000\n2.472063 4.281739 0.000000\n0.000000 0.000000 7.889846\nXe\n2\ndirect\n0.333333 0.666667 0.250000 Xe\n0.666667 0.333333 0.750000 Xe\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.6106125282421346,
"density_atomic": 0.011974344496908911,
"volume": 167.02375654185374,
"volume_molar": 50.292028607950705,
"formula_full": "Xe2",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.07203278,
"energy_per_atom": -0.03601639,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.07203278,
"band_gap": 6.2167,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.218000Z",
"spacegroup": 194
},
{
"id": "mp-1191769",
"created_at": "2022-09-04T14:40:27.073902Z",
"structure_string": "Lu6 Al2 Ni16\n1.0\n2.496920 -4.324793 0.000000\n2.496920 4.324793 0.000000\n0.000000 0.000000 15.841632\nLu Al Ni\n6 2 16\ndirect\n0.333333 0.666667 0.956155 Lu\n0.666667 0.333333 0.043845 Lu\n0.666667 0.333333 0.456155 Lu\n0.333333 0.666667 0.543845 Lu\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.169248 0.830752 0.375083 Ni\n0.169248 0.338496 0.375083 Ni\n0.661504 0.830752 0.375083 Ni\n0.830752 0.169248 0.624917 Ni\n0.830752 0.661504 0.624917 Ni\n0.338496 0.169248 0.624917 Ni\n0.830752 0.169248 0.875083 Ni\n0.830752 0.661504 0.875083 Ni\n0.338496 0.169248 0.875083 Ni\n0.169248 0.830752 0.124917 Ni\n0.169248 0.338496 0.124917 Ni\n0.661504 0.830752 0.124917 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Ni"
],
"chemical_system": "Al-Lu-Ni",
"density": 9.914885920911011,
"density_atomic": 0.07014736665592802,
"volume": 342.13686335111777,
"volume_molar": 8.584984792855485,
"formula_full": "Lu6 Al2 Ni16",
"formula_reduced": "Lu3AlNi8",
"formula_anonymous": "AB3C8",
"energy": -139.06194116,
"energy_per_atom": -5.794247548333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.06194116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0859935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.163000Z",
"spacegroup": 194
},
{
"id": "mp-22977",
"created_at": "2022-09-04T14:40:27.172495Z",
"structure_string": "Cs2 V2 Cl6\n1.0\n3.682764 -6.378735 0.000000\n3.682764 6.378735 0.000000\n0.000000 0.000000 6.279686\nCs V Cl\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Cs\n0.333333 0.666667 0.750000 Cs\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.847619 0.695237 0.750000 Cl\n0.152381 0.847619 0.250000 Cl\n0.695237 0.847619 0.250000 Cl\n0.304763 0.152381 0.750000 Cl\n0.152381 0.304763 0.250000 Cl\n0.847619 0.152381 0.750000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"V",
"Cl"
],
"chemical_system": "Cl-Cs-V",
"density": 3.2666983638410283,
"density_atomic": 0.033894062553702524,
"volume": 295.03692524777085,
"volume_molar": 17.76753893239674,
"formula_full": "Cs2 V2 Cl6",
"formula_reduced": "CsVCl3",
"formula_anonymous": "ABC3",
"energy": -50.07628926,
"energy_per_atom": -5.007628926000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.39228926,
"band_gap": 0.4834999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9997268,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.568000Z",
"spacegroup": 194
}
]
}