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=id&page=69",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=67",
"results": [
{
"id": "mp-1013719",
"created_at": "2022-09-04T14:45:43.377258Z",
"structure_string": "Ba3 Bi1 Sb1\n1.0\n6.586375 0.000000 0.000000\n0.000000 6.586375 0.000000\n0.000000 0.000000 6.586375\nBa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Sb"
],
"chemical_system": "Ba-Bi-Sb",
"density": 4.316539038767182,
"density_atomic": 0.01749970156809425,
"volume": 285.71915815502155,
"volume_molar": 34.41281976476484,
"formula_full": "Ba3 Bi1 Sb1",
"formula_reduced": "Ba3BiSb",
"formula_anonymous": "ABC3",
"energy": -16.42714218,
"energy_per_atom": -3.285428436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.23514218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.928000Z",
"spacegroup": 221
},
{
"id": "mp-1013726",
"created_at": "2022-09-04T14:48:15.708939Z",
"structure_string": "Cd8 S2 F12\n1.0\n8.005215 0.000000 0.000000\n0.000000 8.005215 0.000000\n0.000000 0.000000 5.611370\nCd S F\n8 2 12\ndirect\n0.500000 0.763666 0.233270 Cd\n0.500000 0.236334 0.233270 Cd\n0.263666 0.000000 0.733270 Cd\n0.736334 0.000000 0.733270 Cd\n0.000000 0.736334 0.266730 Cd\n0.000000 0.263666 0.266730 Cd\n0.236334 0.500000 0.766730 Cd\n0.763666 0.500000 0.766730 Cd\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.286186 0.286186 0.500000 F\n0.286186 0.713814 0.500000 F\n0.713814 0.286186 0.500000 F\n0.713814 0.713814 0.500000 F\n0.786186 0.786186 0.000000 F\n0.786186 0.213814 0.000000 F\n0.213814 0.786186 0.000000 F\n0.213814 0.213814 0.000000 F\n0.500000 0.000000 0.971805 F\n0.500000 0.000000 0.471805 F\n0.000000 0.500000 0.528195 F\n0.000000 0.500000 0.028195 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"S",
"F"
],
"chemical_system": "Cd-F-S",
"density": 5.501629789336784,
"density_atomic": 0.061179760696112695,
"volume": 359.5960453208811,
"volume_molar": 9.843354553007662,
"formula_full": "Cd8 S2 F12",
"formula_reduced": "Cd4SF6",
"formula_anonymous": "AB4C6",
"energy": -86.59614402,
"energy_per_atom": -3.9361883645454543,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.04614402,
"band_gap": 1.8553,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:58.400000Z",
"spacegroup": 137
},
{
"id": "mp-1013730",
"created_at": "2022-09-04T14:46:08.244261Z",
"structure_string": "Cd10 S8 Cl4\n1.0\n-3.366906 6.457360 7.117267\n3.366906 -6.457360 7.117267\n3.366906 6.457360 -7.117267\nCd S Cl\n10 8 4\ndirect\n0.750000 0.750000 0.000000 Cd\n0.250000 0.250000 0.000000 Cd\n0.453321 0.750000 0.703321 Cd\n0.046679 0.750000 0.296679 Cd\n0.546679 0.250000 0.296679 Cd\n0.953321 0.250000 0.703321 Cd\n0.901834 0.695047 0.596880 Cd\n0.098166 0.304953 0.403120 Cd\n0.598166 0.195047 0.793213 Cd\n0.401834 0.804953 0.206787 Cd\n0.021710 0.966226 0.661219 S\n0.305008 0.360492 0.338781 S\n0.478290 0.139508 0.944516 S\n0.194992 0.533774 0.055484 S\n0.978290 0.033774 0.338781 S\n0.694992 0.639508 0.661219 S\n0.521710 0.860492 0.055484 S\n0.805008 0.466226 0.944516 S\n0.605766 0.807546 0.413312 Cl\n0.394234 0.192454 0.586688 Cl\n0.894234 0.307546 0.201780 Cl\n0.105766 0.692454 0.798220 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"S",
"Cl"
],
"chemical_system": "Cd-Cl-S",
"density": 4.08442206256304,
"density_atomic": 0.03554376593887291,
"volume": 618.9552350146278,
"volume_molar": 16.942888860895312,
"formula_full": "Cd10 S8 Cl4",
"formula_reduced": "Cd5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy": -71.34235848,
"energy_per_atom": -3.2428344763636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.86235848,
"band_gap": 1.7229,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.652000Z",
"spacegroup": 72
},
{
"id": "mp-1013733",
"created_at": "2022-09-04T14:43:04.809430Z",
"structure_string": "Ca3 Bi1 Sb1\n1.0\n5.810000 0.000000 0.000000\n0.000000 5.810000 0.000000\n0.000000 0.000000 5.810000\nCa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Sb"
],
"chemical_system": "Bi-Ca-Sb",
"density": 3.8183223513688547,
"density_atomic": 0.02549421283663088,
"volume": 196.12294099999997,
"volume_molar": 23.621599139343502,
"formula_full": "Ca3 Bi1 Sb1",
"formula_reduced": "Ca3BiSb",
"formula_anonymous": "ABC3",
"energy": -17.26446484,
"energy_per_atom": -3.4528929679999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.07246484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.697000Z",
"spacegroup": 221
},
{
"id": "mp-1013734",
"created_at": "2022-09-04T14:46:03.741448Z",
"structure_string": "Ba3 As1 N1\n1.0\n5.487585 0.000000 0.000000\n0.000000 5.487585 0.000000\n0.000000 0.000000 5.487585\nBa As N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"N"
],
"chemical_system": "As-Ba-N",
"density": 5.033434384021722,
"density_atomic": 0.030257024951700736,
"volume": 165.25088001816093,
"volume_molar": 19.90328120366473,
"formula_full": "Ba3 As1 N1",
"formula_reduced": "Ba3AsN",
"formula_anonymous": "ABC3",
"energy": -22.47943399,
"energy_per_atom": -4.495886798,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.11843399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.712000Z",
"spacegroup": 221
},
{
"id": "mp-1013735",
"created_at": "2022-09-04T14:45:53.162935Z",
"structure_string": "Ca3 Bi2\n1.0\n5.890000 0.000000 0.000000\n0.000000 5.890000 0.000000\n0.000000 0.000000 5.890000\nCa Bi\n3 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 4.373636753216939,
"density_atomic": 0.024469445050457443,
"volume": 204.33646899999997,
"volume_molar": 24.610859574387526,
"formula_full": "Ca3 Bi2",
"formula_reduced": "Ca3Bi2",
"formula_anonymous": "A2B3",
"energy": -16.1327645,
"energy_per_atom": -3.2265529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.1327645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.694000Z",
"spacegroup": 221
},
{
"id": "mp-1013736",
"created_at": "2022-09-04T14:41:25.154674Z",
"structure_string": "Ba3 Bi2\n1.0\n6.612235 0.000000 0.000000\n0.000000 6.612235 0.000000\n0.000000 0.000000 6.612235\nBa Bi\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 4.767074022046877,
"density_atomic": 0.017295183098397084,
"volume": 289.0978355969761,
"volume_molar": 34.81975718752657,
"formula_full": "Ba3 Bi2",
"formula_reduced": "Ba3Bi2",
"formula_anonymous": "A2B3",
"energy": -16.12403229,
"energy_per_atom": -3.2248064579999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.12403229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.077000Z",
"spacegroup": 221
},
{
"id": "mp-1013737",
"created_at": "2022-09-04T14:41:05.278744Z",
"structure_string": "Ba3 Sb1 P1\n1.0\n6.113177 0.000000 0.000000\n0.000000 6.113177 0.000000\n0.000000 0.000000 6.113177\nBa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"P"
],
"chemical_system": "Ba-P-Sb",
"density": 4.104661299636232,
"density_atomic": 0.021886135966706178,
"volume": 228.4551282878871,
"volume_molar": 27.51577879787028,
"formula_full": "Ba3 Sb1 P1",
"formula_reduced": "Ba3SbP",
"formula_anonymous": "ABC3",
"energy": -19.71126192,
"energy_per_atom": -3.9422523839999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.51926192,
"band_gap": 0.2991999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.087000Z",
"spacegroup": 221
},
{
"id": "mp-1013738",
"created_at": "2022-09-04T14:41:25.647002Z",
"structure_string": "Ca3 Sb1 As1\n1.0\n5.750000 0.000000 0.000000\n0.000000 5.750000 0.000000\n0.000000 0.000000 5.750000\nCa Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"As"
],
"chemical_system": "As-Ca-Sb",
"density": 2.7681472027088563,
"density_atomic": 0.026300649297279526,
"volume": 190.109375,
"volume_molar": 22.8973083209125,
"formula_full": "Ca3 Sb1 As1",
"formula_reduced": "Ca3SbAs",
"formula_anonymous": "ABC3",
"energy": -17.15254364,
"energy_per_atom": -3.4305087280000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.96054364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.900000Z",
"spacegroup": 221
},
{
"id": "mp-1013749",
"created_at": "2022-09-04T14:46:22.380879Z",
"structure_string": "Li12 Ti8 Ge12 O48\n1.0\n-6.090052 6.090052 6.090052\n6.090052 -6.090052 6.090052\n6.090052 6.090052 -6.090052\nLi Ti Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Li\n0.250000 0.875000 0.625000 Li\n0.625000 0.250000 0.875000 Li\n0.875000 0.750000 0.625000 Li\n0.875000 0.625000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.375000 0.125000 Li\n0.750000 0.125000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.125000 0.375000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.517515 0.399966 0.817851 O\n0.817851 0.517515 0.399966 O\n0.800336 0.882451 0.982485 O\n0.417885 0.100034 0.617549 O\n0.882451 0.399966 0.082115 O\n0.682149 0.082115 0.699664 O\n0.817851 0.800336 0.417885 O\n0.399966 0.817851 0.517515 O\n0.617549 0.699664 0.517515 O\n0.417885 0.817851 0.800336 O\n0.399966 0.082115 0.882451 O\n0.100034 0.982485 0.682149 O\n0.982485 0.682149 0.100034 O\n0.800336 0.417885 0.817851 O\n0.517515 0.617549 0.699664 O\n0.699664 0.517515 0.617549 O\n0.082115 0.882451 0.399966 O\n0.982485 0.800336 0.882451 O\n0.082115 0.699664 0.682149 O\n0.382451 0.300336 0.482485 O\n0.617549 0.417885 0.100034 O\n0.100034 0.617549 0.417885 O\n0.699664 0.682149 0.082115 O\n0.682149 0.100034 0.982485 O\n0.482485 0.600034 0.182149 O\n0.182149 0.482485 0.600034 O\n0.199664 0.117549 0.017515 O\n0.582115 0.899966 0.382451 O\n0.117549 0.600034 0.917885 O\n0.317851 0.917885 0.300336 O\n0.182149 0.199664 0.582115 O\n0.600034 0.182149 0.482485 O\n0.317851 0.899966 0.017515 O\n0.300336 0.317851 0.917885 O\n0.899966 0.382451 0.582115 O\n0.117549 0.017515 0.199664 O\n0.382451 0.582115 0.899966 O\n0.917885 0.300336 0.317851 O\n0.017515 0.199664 0.117549 O\n0.917885 0.117549 0.600034 O\n0.300336 0.482485 0.382451 O\n0.482485 0.382451 0.300336 O\n0.199664 0.582115 0.182149 O\n0.017515 0.317851 0.899966 O\n0.899966 0.017515 0.317851 O\n0.600034 0.917885 0.117549 O\n0.582115 0.182149 0.199664 O\n0.882451 0.982485 0.800336 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Ti",
"density": 3.8704330412793606,
"density_atomic": 0.08854560160827477,
"volume": 903.4892591720088,
"volume_molar": 6.801174367352448,
"formula_full": "Li12 Ti8 Ge12 O48",
"formula_reduced": "Li3Ti2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -577.53914947,
"energy_per_atom": -7.219239368375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -544.56314947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9988856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.538000Z",
"spacegroup": 230
},
{
"id": "mp-1013750",
"created_at": "2022-09-04T14:47:59.354681Z",
"structure_string": "Sn8 S2 F12\n1.0\n4.340859 -6.284732 0.000000\n4.340859 6.284732 0.000000\n0.000000 0.000000 8.895499\nSn S F\n8 2 12\ndirect\n0.679988 0.320012 0.852960 Sn\n0.320012 0.679988 0.352960 Sn\n0.812615 0.642319 0.332090 Sn\n0.357681 0.187385 0.332090 Sn\n0.849489 0.150511 0.440999 Sn\n0.187385 0.357681 0.832090 Sn\n0.642319 0.812615 0.832090 Sn\n0.150511 0.849489 0.940999 Sn\n0.663400 0.336600 0.562009 S\n0.336600 0.663400 0.062009 S\n0.918328 0.732605 0.103210 F\n0.267395 0.081672 0.103210 F\n0.851031 0.148969 0.887434 F\n0.081672 0.267395 0.603210 F\n0.732605 0.918328 0.603210 F\n0.148969 0.851031 0.387434 F\n0.006019 0.491666 0.325304 F\n0.616212 0.383788 0.216128 F\n0.508334 0.993981 0.325304 F\n0.993981 0.508334 0.825304 F\n0.383788 0.616212 0.716128 F\n0.491666 0.006019 0.825304 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"S",
"F"
],
"chemical_system": "F-S-Sn",
"density": 4.248491913317467,
"density_atomic": 0.045327308095909444,
"volume": 485.3586264917723,
"volume_molar": 13.28589985369872,
"formula_full": "Sn8 S2 F12",
"formula_reduced": "Sn4SF6",
"formula_anonymous": "AB4C6",
"energy": -111.31629151,
"energy_per_atom": -5.059831432272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.76629151,
"band_gap": 2.4495000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.371000Z",
"spacegroup": 36
},
{
"id": "mp-1013760",
"created_at": "2022-09-04T14:44:17.561353Z",
"structure_string": "Sn10 S8 Cl4\n1.0\n7.316507 0.000000 0.000000\n3.641877 8.473970 0.000000\n3.623354 2.840154 9.536855\nSn S Cl\n10 8 4\ndirect\n0.162024 0.747671 0.746056 Sn\n0.837976 0.252329 0.253944 Sn\n0.246037 0.133335 0.431599 Sn\n0.306106 0.367084 0.067023 Sn\n0.753963 0.866665 0.568401 Sn\n0.693894 0.632916 0.932977 Sn\n0.095492 0.711899 0.256590 Sn\n0.904508 0.288101 0.743410 Sn\n0.563991 0.788799 0.242162 Sn\n0.436009 0.211201 0.757838 Sn\n0.499202 0.491822 0.185954 S\n0.776669 0.141733 0.562437 S\n0.674369 0.011940 0.314533 S\n0.981439 0.357006 0.939698 S\n0.500798 0.508178 0.814046 S\n0.223331 0.858267 0.437563 S\n0.325631 0.988060 0.685467 S\n0.018561 0.642994 0.060302 S\n0.242853 0.946216 0.065417 Cl\n0.757147 0.053784 0.934583 Cl\n0.754326 0.552662 0.433961 Cl\n0.245674 0.447338 0.566039 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sn",
"density": 4.452468164643772,
"density_atomic": 0.03720718268432423,
"volume": 591.2836826871288,
"volume_molar": 16.185425301059386,
"formula_full": "Sn10 S8 Cl4",
"formula_reduced": "Sn5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy": -98.1020313,
"energy_per_atom": -4.45918324090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.6220313,
"band_gap": 1.2428,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.979000Z",
"spacegroup": 2
}
]
}