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=is_magnetic&page=39",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=37",
"results": [
{
"id": "mp-756478",
"created_at": "2022-09-04T14:43:56.006981Z",
"structure_string": "W4 O12\n1.0\n-3.808004 3.808004 3.808004\n3.808004 -3.808004 3.808004\n3.808004 3.808004 -3.808004\nW O\n4 12\ndirect\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.940443 0.721875 0.218567 O\n0.278125 0.781433 0.059557 O\n0.496692 0.278125 0.218567 O\n0.781433 0.059557 0.278125 O\n0.721875 0.781433 0.503308 O\n0.218567 0.496692 0.278125 O\n0.781433 0.503308 0.721875 O\n0.278125 0.218567 0.496692 O\n0.218567 0.940443 0.721875 O\n0.503308 0.721875 0.781433 O\n0.721875 0.218567 0.940443 O\n0.059557 0.278125 0.781433 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.97175161598509,
"density_atomic": 0.07243822560687367,
"volume": 220.87785649020313,
"volume_molar": 8.313484640944267,
"formula_full": "W4 O12",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy": -146.09120691,
"energy_per_atom": -9.130700431875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.09520691,
"band_gap": 1.0606,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.636000Z",
"spacegroup": 204
},
{
"id": "mp-1215440",
"created_at": "2022-09-04T14:43:56.022553Z",
"structure_string": "Zn1 Ge1 As2\n1.0\n4.045538 0.000000 0.000000\n0.000000 4.045538 0.000000\n0.000000 0.000000 5.751654\nZn Ge As\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.757499 As\n0.000000 0.500000 0.242501 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Zn",
"density": 5.078479149310019,
"density_atomic": 0.04249273345292291,
"volume": 94.13374181803442,
"volume_molar": 14.17216608734254,
"formula_full": "Zn1 Ge1 As2",
"formula_reduced": "ZnGeAs2",
"formula_anonymous": "ABC2",
"energy": -15.76129039,
"energy_per_atom": -3.9403225975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.76129039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.585000Z",
"spacegroup": 115
},
{
"id": "mp-15053",
"created_at": "2022-09-04T14:43:55.364506Z",
"structure_string": "Y2 Pd4 O8\n1.0\n-2.912694 2.912694 5.055349\n2.912694 -2.912694 5.055349\n2.912694 2.912694 -5.055349\nY Pd O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.375000 0.625000 0.250000 Pd\n0.875000 0.625000 0.250000 Pd\n0.375000 0.125000 0.750000 Pd\n0.375000 0.625000 0.750000 Pd\n0.991944 0.959810 0.346837 O\n0.709810 0.862973 0.467867 O\n0.395107 0.241944 0.532133 O\n0.612973 0.645107 0.653163 O\n0.758056 0.290190 0.153163 O\n0.040190 0.387027 0.032133 O\n0.137027 0.604893 0.846837 O\n0.354893 0.008056 0.967867 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Pd",
"O"
],
"chemical_system": "O-Pd-Y",
"density": 7.080351097129333,
"density_atomic": 0.08160695609533909,
"volume": 171.55400311272726,
"volume_molar": 7.379445390616583,
"formula_full": "Y2 Pd4 O8",
"formula_reduced": "Y(PdO2)2",
"formula_anonymous": "AB2C4",
"energy": -100.99701282,
"energy_per_atom": -7.2140723442857135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.50101282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.030126,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.612000Z",
"spacegroup": 88
},
{
"id": "mp-1221578",
"created_at": "2022-09-04T14:43:55.966061Z",
"structure_string": "Mo2 P4 O16\n1.0\n0.000000 0.000000 -4.954010\n0.000000 -7.544156 0.000000\n-7.936169 0.000000 0.000000\nMo P O\n2 4 16\ndirect\n0.500000 0.750000 0.776416 Mo\n0.000000 0.250000 0.223584 Mo\n0.253600 0.640843 0.360033 P\n0.753600 0.359157 0.639967 P\n0.746400 0.859157 0.360033 P\n0.246400 0.140843 0.639967 P\n0.270196 0.637403 0.547917 O\n0.770196 0.362597 0.452083 O\n0.729804 0.862597 0.547917 O\n0.229804 0.137403 0.452083 O\n0.279440 0.647950 0.910245 O\n0.779440 0.352050 0.089755 O\n0.720560 0.852050 0.910245 O\n0.220560 0.147950 0.089755 O\n0.256528 0.964099 0.729582 O\n0.756528 0.035901 0.270418 O\n0.743472 0.535901 0.729582 O\n0.243472 0.464099 0.270418 O\n0.500000 0.750000 0.278834 O\n0.000000 0.250000 0.721166 O\n0.500000 0.250000 0.708225 O\n0.000000 0.750000 0.291775 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 3.201021255871944,
"density_atomic": 0.07417272491009984,
"volume": 296.6049855477851,
"volume_molar": 8.119077150393307,
"formula_full": "Mo2 P4 O16",
"formula_reduced": "Mo(PO4)2",
"formula_anonymous": "AB2C8",
"energy": -173.71623903,
"energy_per_atom": -7.896192683181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.32023903,
"band_gap": 3.5485,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.341000Z",
"spacegroup": 18
},
{
"id": "mp-1223296",
"created_at": "2022-09-04T14:43:55.968991Z",
"structure_string": "La6 Zn1 Cu1\n1.0\n4.946861 0.000000 0.000000\n0.000000 4.946861 0.000000\n0.000000 0.000000 9.890021\nLa Zn Cu\n6 1 1\ndirect\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.500000 0.000000 0.247720 La\n0.500000 0.000000 0.752280 La\n0.000000 0.500000 0.247720 La\n0.000000 0.500000 0.752280 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Zn",
"Cu"
],
"chemical_system": "Cu-La-Zn",
"density": 6.603019604723424,
"density_atomic": 0.03305471053399301,
"volume": 242.02299372045354,
"volume_molar": 18.21870669176459,
"formula_full": "La6 Zn1 Cu1",
"formula_reduced": "La6ZnCu",
"formula_anonymous": "ABC6",
"energy": -34.74284732,
"energy_per_atom": -4.342855915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.74284732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0577121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.830000Z",
"spacegroup": 123
},
{
"id": "mp-1522693",
"created_at": "2022-09-04T14:43:55.231356Z",
"structure_string": "Na1 La1 V4 O12\n1.0\n0.000000 -3.644258 -4.231998\n0.000000 -3.644258 4.231998\n-7.408119 0.000000 0.000000\nNa La V O\n1 1 4 12\ndirect\n0.983394 0.016606 0.500000 Na\n0.466630 0.533370 0.000000 La\n0.473535 0.034216 0.256237 V\n0.473535 0.034216 0.743763 V\n0.965784 0.526465 0.743763 V\n0.965784 0.526465 0.256237 V\n0.286306 0.244117 0.248789 O\n0.755883 0.713694 0.248789 O\n0.755883 0.713694 0.751211 O\n0.286306 0.244117 0.751211 O\n0.259885 0.740116 0.221151 O\n0.770358 0.229642 0.278330 O\n0.770358 0.229642 0.721670 O\n0.259885 0.740116 0.778849 O\n0.535602 0.015886 0.000000 O\n0.469525 0.969264 0.500000 O\n0.984114 0.464398 0.000000 O\n0.030736 0.530475 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"La",
"V",
"O"
],
"chemical_system": "La-Na-O-V",
"density": 4.052485172279794,
"density_atomic": 0.07877347237617928,
"volume": 228.50332043307404,
"volume_molar": 7.644884220974201,
"formula_full": "Na1 La1 V4 O12",
"formula_reduced": "NaLaV4O12",
"formula_anonymous": "ABC4D12",
"energy": -147.17701315000002,
"energy_per_atom": -8.176500730555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.13301315,
"band_gap": 0.5880000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.459000Z",
"spacegroup": 38
},
{
"id": "mp-1229047",
"created_at": "2022-09-04T14:43:55.232832Z",
"structure_string": "Al4 Co4 W4\n1.0\n2.448522 -4.137606 0.000000\n2.448522 4.137606 0.000000\n0.000000 0.000000 7.759721\nAl Co W\n4 4 4\ndirect\n0.008826 0.991174 0.235958 Al\n0.008826 0.991174 0.764042 Al\n0.651527 0.835351 0.500000 Al\n0.164649 0.348473 0.500000 Al\n0.159534 0.840466 0.500000 Co\n0.350228 0.178833 0.000000 Co\n0.821167 0.649772 0.000000 Co\n0.828112 0.171888 0.000000 Co\n0.666931 0.333069 0.299362 W\n0.335517 0.664483 0.175433 W\n0.335517 0.664483 0.824567 W\n0.666931 0.333069 0.700638 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Co",
"W"
],
"chemical_system": "Al-Co-W",
"density": 11.395907552750312,
"density_atomic": 0.07632239680667365,
"volume": 157.227766711733,
"volume_molar": 7.890397854320821,
"formula_full": "Al4 Co4 W4",
"formula_reduced": "AlCoW",
"formula_anonymous": "ABC",
"energy": -97.84519626,
"energy_per_atom": -8.153766355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.84519626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0265395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.448000Z",
"spacegroup": 38
},
{
"id": "mp-1227191",
"created_at": "2022-09-04T14:43:54.714699Z",
"structure_string": "Cd20 Si4 P8 O48\n1.0\n6.836313 0.000000 0.000000\n0.000000 10.322141 0.000000\n0.000000 0.000000 15.175658\nCd Si P O\n20 4 8 48\ndirect\n0.198208 0.717295 0.497559 Cd\n0.698208 0.782705 0.502441 Cd\n0.301792 0.282705 0.997559 Cd\n0.801792 0.217295 0.002441 Cd\n0.894082 0.560409 0.661718 Cd\n0.394082 0.939591 0.338282 Cd\n0.605918 0.439591 0.161718 Cd\n0.105918 0.060409 0.838282 Cd\n0.604699 0.448182 0.841430 Cd\n0.104699 0.051818 0.158570 Cd\n0.895301 0.551818 0.341430 Cd\n0.395301 0.948182 0.658570 Cd\n0.085232 0.660332 0.857966 Cd\n0.585232 0.839668 0.142034 Cd\n0.414768 0.339668 0.357966 Cd\n0.914768 0.160332 0.642034 Cd\n0.399086 0.336063 0.641458 Cd\n0.899086 0.163937 0.358542 Cd\n0.100914 0.663937 0.141458 Cd\n0.600914 0.836063 0.858542 Cd\n0.897806 0.867017 0.678504 Si\n0.397806 0.632983 0.321496 Si\n0.602194 0.132983 0.178504 Si\n0.102194 0.367017 0.821496 Si\n0.243409 0.087190 0.497773 P\n0.743409 0.412810 0.502227 P\n0.256591 0.912810 0.997773 P\n0.756591 0.587190 0.002227 P\n0.603904 0.131959 0.821595 P\n0.103904 0.368041 0.178405 P\n0.896096 0.868041 0.321595 P\n0.396096 0.631959 0.678405 P\n0.958444 0.762572 0.598755 O\n0.458444 0.737428 0.401245 O\n0.541556 0.237428 0.098755 O\n0.041556 0.262572 0.901245 O\n0.544234 0.229525 0.896320 O\n0.044234 0.270475 0.103680 O\n0.955766 0.770475 0.396320 O\n0.455766 0.729525 0.603680 O\n0.075711 0.972937 0.699463 O\n0.575711 0.527063 0.300537 O\n0.424289 0.027063 0.199463 O\n0.924289 0.472937 0.800537 O\n0.434472 0.032414 0.803067 O\n0.934472 0.467586 0.196933 O\n0.065528 0.967586 0.303067 O\n0.565528 0.532414 0.696933 O\n0.845744 0.777362 0.765186 O\n0.345744 0.722638 0.234814 O\n0.654256 0.222638 0.265186 O\n0.154256 0.277362 0.734814 O\n0.654260 0.214617 0.739546 O\n0.154260 0.285383 0.260454 O\n0.845740 0.785383 0.239546 O\n0.345740 0.714617 0.760454 O\n0.017797 0.109965 0.497775 O\n0.517797 0.390035 0.502225 O\n0.482203 0.890035 0.997775 O\n0.982203 0.609965 0.002225 O\n0.717872 0.955293 0.637082 O\n0.217872 0.544707 0.362918 O\n0.782128 0.044707 0.137082 O\n0.282128 0.455293 0.862918 O\n0.774168 0.047580 0.857965 O\n0.274168 0.452420 0.142035 O\n0.725832 0.952420 0.357965 O\n0.225832 0.547580 0.642035 O\n0.333280 0.144102 0.583169 O\n0.833280 0.355898 0.416831 O\n0.166720 0.855898 0.083169 O\n0.666720 0.644102 0.916831 O\n0.167882 0.857246 0.911207 O\n0.667882 0.642754 0.088793 O\n0.332118 0.142754 0.411207 O\n0.832118 0.357246 0.588793 O\n0.297201 0.940100 0.499649 O\n0.797201 0.559900 0.500351 O\n0.202799 0.059900 0.999649 O\n0.702799 0.440100 0.000351 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Cd",
"Si",
"P",
"O"
],
"chemical_system": "Cd-O-P-Si",
"density": 5.235448190787592,
"density_atomic": 0.0747051823973336,
"volume": 1070.876175290021,
"volume_molar": 8.061208830158675,
"formula_full": "Cd20 Si4 P8 O48",
"formula_reduced": "Cd5Si(PO6)2",
"formula_anonymous": "AB2C5D12",
"energy": -499.3483132900001,
"energy_per_atom": -6.241853916125001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -466.37231329,
"band_gap": 2.0401,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.395000Z",
"spacegroup": 19
},
{
"id": "mp-1203471",
"created_at": "2022-09-04T14:43:55.981022Z",
"structure_string": "Co8 Hg4 C32 O32\n1.0\n6.631871 0.000000 0.000000\n0.000000 16.608931 0.000000\n-2.279262 0.000000 12.316055\nCo Hg C O\n8 4 32 32\ndirect\n0.415002 0.801608 0.562071 Co\n0.584998 0.301608 0.937929 Co\n0.584998 0.198392 0.437929 Co\n0.415002 0.698392 0.062071 Co\n0.822613 0.544539 0.689131 Co\n0.177387 0.044539 0.810869 Co\n0.177387 0.455461 0.310869 Co\n0.822613 0.955461 0.189131 Co\n0.616069 0.672109 0.622439 Hg\n0.383931 0.172109 0.877561 Hg\n0.383931 0.327891 0.377561 Hg\n0.616069 0.827891 0.122439 Hg\n0.279997 0.890634 0.517820 C\n0.720003 0.390634 0.982180 C\n0.720003 0.109366 0.482180 C\n0.279997 0.609366 0.017820 C\n0.455564 0.819246 0.704556 C\n0.544436 0.319246 0.795444 C\n0.544436 0.180754 0.295444 C\n0.455564 0.680754 0.204556 C\n0.222298 0.731492 0.505809 C\n0.777702 0.231492 0.994191 C\n0.777702 0.268508 0.494191 C\n0.222298 0.768508 0.005809 C\n0.625767 0.817557 0.495048 C\n0.374233 0.317557 0.004952 C\n0.374233 0.182443 0.504952 C\n0.625767 0.682443 0.995048 C\n0.015835 0.617658 0.730994 C\n0.984165 0.117658 0.769006 C\n0.984165 0.382342 0.269006 C\n0.015835 0.882342 0.230994 C\n0.616715 0.533518 0.761025 C\n0.383285 0.033518 0.738975 C\n0.383285 0.466482 0.238975 C\n0.616715 0.966482 0.261025 C\n0.770339 0.518429 0.549413 C\n0.229661 0.018429 0.950587 C\n0.229661 0.481571 0.450587 C\n0.770339 0.981571 0.049413 C\n0.964065 0.458425 0.740640 C\n0.035935 0.958425 0.759360 C\n0.035935 0.541575 0.259360 C\n0.964065 0.041575 0.240640 C\n0.192807 0.949193 0.488442 O\n0.807193 0.449193 0.011558 O\n0.807193 0.050807 0.511558 O\n0.192807 0.550807 0.988442 O\n0.478695 0.833854 0.796602 O\n0.521305 0.333854 0.703398 O\n0.521305 0.166146 0.203398 O\n0.478695 0.666146 0.296602 O\n0.091609 0.688027 0.468068 O\n0.908391 0.188027 0.031932 O\n0.908391 0.311973 0.531932 O\n0.091609 0.811973 0.968068 O\n0.760204 0.830626 0.449737 O\n0.239796 0.330626 0.050263 O\n0.239796 0.169374 0.550263 O\n0.760204 0.669374 0.949737 O\n0.147803 0.663195 0.758987 O\n0.852197 0.163195 0.741013 O\n0.852197 0.336805 0.241013 O\n0.147803 0.836805 0.258987 O\n0.484251 0.523068 0.808627 O\n0.515749 0.023068 0.691373 O\n0.515749 0.476932 0.191373 O\n0.484251 0.976932 0.308627 O\n0.738727 0.498320 0.459095 O\n0.261273 0.998320 0.040905 O\n0.261273 0.501680 0.540905 O\n0.738727 0.001680 0.959095 O\n0.054219 0.401570 0.774982 O\n0.945781 0.901570 0.725018 O\n0.945781 0.598430 0.225018 O\n0.054219 0.098430 0.274982 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Co",
"Hg",
"C",
"O"
],
"chemical_system": "C-Co-Hg-O",
"density": 2.6563740684661314,
"density_atomic": 0.056022724006046125,
"volume": 1356.5923711920518,
"volume_molar": 10.74946080692198,
"formula_full": "Co8 Hg4 C32 O32",
"formula_reduced": "Co2Hg(CO)8",
"formula_anonymous": "AB2C8D8",
"energy": -571.72764366,
"energy_per_atom": -7.522732153421053,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -536.63964366,
"band_gap": 2.9240000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1553827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.856000Z",
"spacegroup": 14
},
{
"id": "mp-1207614",
"created_at": "2022-09-04T14:43:55.992491Z",
"structure_string": "Yb3 Ni19 B10\n1.0\n4.358141 6.531412 0.000000\n-4.358141 6.531412 0.000000\n0.000000 0.158615 5.710531\nYb Ni B\n3 19 10\ndirect\n0.624725 0.624725 0.608929 Yb\n0.375275 0.375275 0.391071 Yb\n0.000000 0.000000 0.000000 Yb\n0.622125 0.622125 0.124026 Ni\n0.377875 0.377875 0.875974 Ni\n0.835649 0.835649 0.704876 Ni\n0.164351 0.164351 0.295124 Ni\n0.818943 0.818943 0.269060 Ni\n0.181057 0.181057 0.730940 Ni\n0.000000 0.000000 0.500000 Ni\n0.621810 0.123201 0.076630 Ni\n0.378190 0.876799 0.923370 Ni\n0.876799 0.378190 0.923370 Ni\n0.123201 0.621810 0.076630 Ni\n0.286481 0.772893 0.299998 Ni\n0.713519 0.227107 0.700002 Ni\n0.227107 0.713519 0.700002 Ni\n0.772893 0.286481 0.299998 Ni\n0.482922 0.954554 0.301971 Ni\n0.517078 0.045446 0.698029 Ni\n0.045446 0.517078 0.698029 Ni\n0.954554 0.482922 0.301971 Ni\n0.700819 0.064495 0.430623 B\n0.299181 0.935505 0.569377 B\n0.935505 0.299181 0.569377 B\n0.064495 0.700819 0.430623 B\n0.350051 0.140844 0.025722 B\n0.649949 0.859156 0.974278 B\n0.859156 0.649949 0.974278 B\n0.140844 0.350051 0.025722 B\n0.615538 0.384462 0.000000 B\n0.384462 0.615538 0.000000 B\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"B"
],
"chemical_system": "B-Ni-Yb",
"density": 8.89986175217871,
"density_atomic": 0.0984317332214245,
"volume": 325.0984103674701,
"volume_molar": 6.118088712766088,
"formula_full": "Yb3 Ni19 B10",
"formula_reduced": "Yb3Ni19B10",
"formula_anonymous": "A3B10C19",
"energy": -194.81473217,
"energy_per_atom": -6.0879603803125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.81473217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2826708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.640000Z",
"spacegroup": 12
},
{
"id": "mp-997032",
"created_at": "2022-09-04T14:43:55.234770Z",
"structure_string": "Mg2 Au2 O4\n1.0\n2.874312 -5.662353 0.000000\n2.874312 5.662353 0.000000\n0.000000 0.000000 3.082389\nMg Au O\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.118611 0.881389 0.500000 O\n0.312419 0.687581 0.000000 O\n0.881389 0.118611 0.500000 O\n0.687581 0.312419 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Au",
"O"
],
"chemical_system": "Au-Mg-O",
"density": 8.383303437102434,
"density_atomic": 0.0797336594072232,
"volume": 100.33403783892136,
"volume_molar": 7.552821236064384,
"formula_full": "Mg2 Au2 O4",
"formula_reduced": "MgAuO2",
"formula_anonymous": "ABC2",
"energy": -42.98622182,
"energy_per_atom": -5.3732777275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.23822182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.517000Z",
"spacegroup": 65
},
{
"id": "mp-24153",
"created_at": "2022-09-04T14:43:57.418556Z",
"structure_string": "La1 H2\n1.0\n0.000000 2.827573 2.827573\n2.827573 0.000000 2.827573\n2.827573 2.827573 0.000000\nLa H\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"H"
],
"chemical_system": "H-La",
"density": 5.175525095498188,
"density_atomic": 0.06635135267177067,
"volume": 45.21384838739477,
"volume_molar": 9.076138643006344,
"formula_full": "La1 H2",
"formula_reduced": "LaH2",
"formula_anonymous": "AB2",
"energy": -13.95509698,
"energy_per_atom": -4.6516989933333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.59709698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.310000Z",
"spacegroup": 225
}
]
}