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=energy&page=11523",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11521",
"results": [
{
"id": "mp-1002184",
"created_at": "2022-09-04T14:44:05.981806Z",
"structure_string": "Tc1 B1\n1.0\n0.000000 2.367117 2.367117\n2.367117 0.000000 2.367117\n2.367117 2.367117 0.000000\nTc B\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 6.811342677502316,
"density_atomic": 0.07539470160680349,
"volume": 26.52706300809238,
"volume_molar": 7.987485369206068,
"formula_full": "Tc1 B1",
"formula_reduced": "TcB",
"formula_anonymous": "AB",
"energy": -15.59892691,
"energy_per_atom": -7.799463455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59892691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.962000Z",
"spacegroup": 216
},
{
"id": "mp-1186242",
"created_at": "2022-09-04T14:40:23.548450Z",
"structure_string": "Nd2 Hg1 Pb1\n1.0\n0.000000 3.883310 3.883310\n3.883310 0.000000 3.883310\n3.883310 3.883310 0.000000\nNd Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Hg",
"Pb"
],
"chemical_system": "Hg-Nd-Pb",
"density": 9.871726091770794,
"density_atomic": 0.03415260319319848,
"volume": 117.12137951453737,
"volume_molar": 17.633035836048112,
"formula_full": "Nd2 Hg1 Pb1",
"formula_reduced": "Nd2HgPb",
"formula_anonymous": "ABC2",
"energy": -15.59880575,
"energy_per_atom": -3.8997014375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59880575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.920000Z",
"spacegroup": 225
},
{
"id": "mp-978303",
"created_at": "2022-09-04T14:45:22.936404Z",
"structure_string": "Mg3 Re1\n1.0\n4.154727 0.000000 0.000000\n0.000000 4.154727 0.000000\n0.000000 0.000000 4.154727\nMg Re\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Re"
],
"chemical_system": "Mg-Re",
"density": 5.999649886645039,
"density_atomic": 0.055774092729417774,
"volume": 71.71788556750865,
"volume_molar": 10.797380047427737,
"formula_full": "Mg3 Re1",
"formula_reduced": "Mg3Re",
"formula_anonymous": "AB3",
"energy": -15.59682524,
"energy_per_atom": -3.89920631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59682524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8231121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.371000Z",
"spacegroup": 221
},
{
"id": "mp-1185189",
"created_at": "2022-09-04T14:42:40.160510Z",
"structure_string": "K6 Ti2\n1.0\n4.190720 -7.258539 0.000000\n4.190720 7.258539 0.000000\n0.000000 0.000000 6.795177\nK Ti\n6 2\ndirect\n0.175604 0.351209 0.250000 K\n0.648791 0.824396 0.250000 K\n0.175604 0.824396 0.250000 K\n0.824396 0.648791 0.750000 K\n0.351209 0.175604 0.750000 K\n0.824396 0.175604 0.750000 K\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Ti"
],
"chemical_system": "K-Ti",
"density": 1.32684543545128,
"density_atomic": 0.019351799614347933,
"volume": 413.39824509492075,
"volume_molar": 31.119280273732407,
"formula_full": "K6 Ti2",
"formula_reduced": "K3Ti",
"formula_anonymous": "AB3",
"energy": -15.59660732,
"energy_per_atom": -1.949575915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59660732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3701648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.950000Z",
"spacegroup": 194
},
{
"id": "mp-1100449",
"created_at": "2022-09-04T14:41:25.473751Z",
"structure_string": "Mg3 Si2\n1.0\n3.890644 3.465193 0.000000\n-3.890644 3.465193 0.000000\n0.000000 2.524286 3.593215\nMg Si\n3 2\ndirect\n0.704382 0.295618 0.500000 Mg\n0.295618 0.704382 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.708308 0.708308 0.773343 Si\n0.291692 0.291692 0.226657 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2124125781593578,
"density_atomic": 0.05160691310240637,
"volume": 96.88624448585466,
"volume_molar": 11.669252040031813,
"formula_full": "Mg3 Si2",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy": -15.59389475,
"energy_per_atom": -3.1187789500000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.73589475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.098000Z",
"spacegroup": 12
},
{
"id": "mp-20826",
"created_at": "2022-09-04T14:45:15.761293Z",
"structure_string": "Cu2 Te2\n1.0\n3.195561 0.000000 0.000000\n0.000000 4.040864 0.000000\n0.000000 0.000000 7.128868\nCu Te\n2 2\ndirect\n0.000000 0.500000 0.458629 Cu\n0.500000 0.000000 0.541371 Cu\n0.000000 0.000000 0.227207 Te\n0.500000 0.500000 0.772793 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Te"
],
"chemical_system": "Cu-Te",
"density": 6.896081538150364,
"density_atomic": 0.04345283053742208,
"volume": 92.0538420749174,
"volume_molar": 13.859029861849075,
"formula_full": "Cu2 Te2",
"formula_reduced": "CuTe",
"formula_anonymous": "AB",
"energy": -15.59294129,
"energy_per_atom": -3.8982353225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.74894129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.45e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.249000Z",
"spacegroup": 59
},
{
"id": "mp-1075810",
"created_at": "2022-09-04T14:48:27.541739Z",
"structure_string": "Mg3 Si2\n1.0\n4.279717 0.000000 0.000000\n-2.080018 4.809644 0.000000\n-1.967671 -1.639364 4.723363\nMg Si\n3 2\ndirect\n0.002266 0.293803 0.707432 Mg\n0.997734 0.706197 0.292568 Mg\n0.500000 0.000000 0.000000 Mg\n0.721346 0.705554 0.709511 Si\n0.278654 0.294446 0.290489 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2046971152515495,
"density_atomic": 0.05142694159629634,
"volume": 97.22530340711704,
"volume_molar": 11.710089251027327,
"formula_full": "Mg3 Si2",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy": -15.59281176,
"energy_per_atom": -3.118562352,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.73481176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.499000Z",
"spacegroup": 2
},
{
"id": "mp-448",
"created_at": "2022-09-04T14:42:46.397379Z",
"structure_string": "Co1 N1\n1.0\n0.000000 2.128238 2.128238\n2.128238 0.000000 2.128238\n2.128238 2.128238 0.000000\nCo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 6.282372098523369,
"density_atomic": 0.103738370056822,
"volume": 19.279269559609556,
"volume_molar": 5.8051237518975976,
"formula_full": "Co1 N1",
"formula_reduced": "CoN",
"formula_anonymous": "AB",
"energy": -15.59236335,
"energy_per_atom": -7.796181675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.23136335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.338000Z",
"spacegroup": 216
},
{
"id": "mp-1217629",
"created_at": "2022-09-04T14:40:26.896859Z",
"structure_string": "Tb3 Mg1\n1.0\n3.622086 0.000000 0.000000\n0.000000 3.622086 0.000000\n0.000000 0.000000 9.104028\nTb Mg\n3 1\ndirect\n0.500000 0.500000 0.765585 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.234415 Tb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 6.966361002705579,
"density_atomic": 0.033489517560295355,
"volume": 119.44035899586493,
"volume_molar": 17.982166357450772,
"formula_full": "Tb3 Mg1",
"formula_reduced": "Tb3Mg",
"formula_anonymous": "AB3",
"energy": -15.59213422,
"energy_per_atom": -3.898033555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59213422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0277886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.116000Z",
"spacegroup": 123
},
{
"id": "mp-865744",
"created_at": "2022-09-04T14:45:26.800001Z",
"structure_string": "Yb1 Cd1 Pd2\n1.0\n0.000000 3.357294 3.357294\n3.357294 0.000000 3.357294\n3.357294 3.357294 0.000000\nYb Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Yb",
"density": 10.932865920665128,
"density_atomic": 0.05285205432745527,
"volume": 75.68296163508074,
"volume_molar": 11.3943362025034,
"formula_full": "Yb1 Cd1 Pd2",
"formula_reduced": "YbCdPd2",
"formula_anonymous": "ABC2",
"energy": -15.59040628,
"energy_per_atom": -3.89760157,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.59040628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.831000Z",
"spacegroup": 225
},
{
"id": "mp-1018113",
"created_at": "2022-09-04T14:41:14.729455Z",
"structure_string": "Y1 Au2\n1.0\n-1.876821 1.876821 4.565165\n1.876821 -1.876821 4.565165\n1.876821 1.876821 -4.565165\nY Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.665196 0.665196 0.000000 Au\n0.334804 0.334804 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Au"
],
"chemical_system": "Au-Y",
"density": 12.464912946902226,
"density_atomic": 0.04664005738078423,
"volume": 64.32239084757225,
"volume_molar": 12.911949723460529,
"formula_full": "Y1 Au2",
"formula_reduced": "YAu2",
"formula_anonymous": "AB2",
"energy": -15.58987952,
"energy_per_atom": -5.196626506666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.58987952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.319000Z",
"spacegroup": 139
},
{
"id": "mp-1214876",
"created_at": "2022-09-04T14:43:22.437729Z",
"structure_string": "Ba2 H1 Cl2\n1.0\n6.347578 0.000000 0.000000\n0.000000 6.347578 0.000000\n0.000000 0.000000 14.234827\nBa H Cl\n2 1 2\ndirect\n0.500000 0.500000 0.177800 Ba\n0.500000 0.500000 0.822200 Ba\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.631853 Cl\n0.500000 0.500000 0.368147 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"H",
"Cl"
],
"chemical_system": "Ba-Cl-H",
"density": 1.0033886784867634,
"density_atomic": 0.008717695960171398,
"volume": 573.5460404725671,
"volume_molar": 69.07949976132913,
"formula_full": "Ba2 H1 Cl2",
"formula_reduced": "Ba2HCl2",
"formula_anonymous": "AB2C2",
"energy": -15.58941665,
"energy_per_atom": -3.11788333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.36141665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0368255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.235000Z",
"spacegroup": 123
}
]
}