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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12155",
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"results": [
{
"id": "mp-1236652",
"created_at": "2022-09-04T14:48:08.916049Z",
"structure_string": "Li1 Cu6 O1 F11\n1.0\n2.803893 0.140180 -4.633775\n0.000423 4.698410 -0.136191\n7.783729 -0.129746 4.767243\nLi Cu O F\n1 6 1 11\ndirect\n0.492742 0.701209 0.798239 Li\n0.994138 0.992105 0.004207 Cu\n0.471192 0.521164 0.079509 Cu\n0.337932 0.984948 0.327168 Cu\n0.825770 0.506247 0.329520 Cu\n0.157050 0.489353 0.639668 Cu\n0.684537 0.050517 0.627206 Cu\n0.556382 0.706452 0.251497 O\n0.265259 0.186594 0.082627 F\n0.061225 0.774387 0.256045 F\n0.779408 0.278431 0.089153 F\n0.110717 0.279382 0.408740 F\n0.608697 0.202911 0.407043 F\n0.378922 0.806769 0.603373 F\n0.870633 0.705907 0.565352 F\n0.455847 0.318102 0.730681 F\n0.227650 0.698609 0.930992 F\n0.958191 0.213087 0.728675 F\n0.726208 0.792157 0.929364 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
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"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O",
"density": 4.387697319407493,
"density_atomic": 0.08187283763103288,
"volume": 232.0671977393182,
"volume_molar": 7.355480687183832,
"formula_full": "Li1 Cu6 O1 F11",
"formula_reduced": "LiCu6OF11",
"formula_anonymous": "ABC6D11",
"energy": -86.21319301000001,
"energy_per_atom": -4.537536474210527,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.659000Z",
"spacegroup": 1
},
{
"id": "mp-1234089",
"created_at": "2022-09-04T14:48:10.255992Z",
"structure_string": "K2 Mg1 Nb2 P2 C2 O14\n1.0\n9.622433 0.334538 0.035631\n0.199267 6.771981 0.306346\n0.247916 0.248932 5.382988\nK Mg Nb P C O\n2 1 2 2 2 14\ndirect\n0.195570 0.475509 0.296919 K\n0.772369 0.927608 0.768841 K\n0.214911 0.978253 0.176245 Mg\n0.364590 0.775820 0.786156 Nb\n0.654100 0.271377 0.221401 Nb\n0.417590 0.271280 0.744918 P\n0.572199 0.771179 0.301928 P\n0.099067 0.775849 0.696689 C\n0.923122 0.202541 0.236124 C\n0.055382 0.163242 0.251661 O\n0.144503 0.794719 0.925930 O\n0.196946 0.818954 0.515859 O\n0.325722 0.096396 0.855870 O\n0.327763 0.466834 0.780131 O\n0.426061 0.795608 0.183759 O\n0.452502 0.251319 0.464358 O\n0.555433 0.759584 0.592306 O\n0.552437 0.266118 0.888701 O\n0.661684 0.948713 0.221074 O\n0.649061 0.577749 0.221198 O\n0.839712 0.212255 0.436168 O\n0.861803 0.237458 0.026956 O\n0.987473 0.709417 0.656809 O\n",
"nsites": 23,
"nelements": 6,
"elements": [
"K",
"Mg",
"Nb",
"P",
"C",
"O"
],
"chemical_system": "C-K-Mg-Nb-O-P",
"density": 2.841327560218831,
"density_atomic": 0.06578081822549342,
"volume": 349.6460004671442,
"volume_molar": 9.15485839558334,
"formula_full": "K2 Mg1 Nb2 P2 C2 O14",
"formula_reduced": "K2MgNb2P2(CO7)2",
"formula_anonymous": "AB2C2D2E2F14",
"energy": -176.86782143,
"energy_per_atom": -7.689905279565217,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -167.24982143,
"band_gap": 0.1130999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0074317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.330000Z",
"spacegroup": 1
},
{
"id": "mp-19096",
"created_at": "2022-09-04T14:48:07.292560Z",
"structure_string": "Ba8 V4 O16\n1.0\n7.794917 0.000000 0.000000\n0.000000 6.260299 0.000000\n0.000000 5.439839 10.458101\nBa V O\n8 4 16\ndirect\n0.504862 0.022447 0.198199 Ba\n0.004862 0.977553 0.301801 Ba\n0.495138 0.977553 0.801801 Ba\n0.995138 0.022447 0.698199 Ba\n0.158574 0.311254 0.927118 Ba\n0.658574 0.688746 0.572882 Ba\n0.841426 0.688746 0.072882 Ba\n0.341426 0.311254 0.427118 Ba\n0.719847 0.341578 0.918064 V\n0.219847 0.658422 0.581936 V\n0.280153 0.658422 0.081936 V\n0.780153 0.341578 0.418064 V\n0.753395 0.665998 0.826193 O\n0.253395 0.334002 0.673807 O\n0.246605 0.334002 0.173807 O\n0.746605 0.665998 0.326193 O\n0.826797 0.141109 0.866574 O\n0.326797 0.858891 0.633426 O\n0.173203 0.858891 0.133426 O\n0.673203 0.141109 0.366574 O\n0.825158 0.256841 0.073234 O\n0.325158 0.743159 0.426766 O\n0.174842 0.743159 0.926766 O\n0.674842 0.256841 0.573234 O\n0.007112 0.280865 0.421641 O\n0.507112 0.719135 0.078359 O\n0.992888 0.719135 0.578359 O\n0.492888 0.280865 0.921641 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 5.070618565942138,
"density_atomic": 0.05486540990702308,
"volume": 510.3397577353349,
"volume_molar": 10.976206630380306,
"formula_full": "Ba8 V4 O16",
"formula_reduced": "Ba2VO4",
"formula_anonymous": "AB2C4",
"energy": -212.91646869,
"energy_per_atom": -7.604159596071428,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -195.12446869,
"band_gap": 1.2970000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998539,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.240000Z",
"spacegroup": 14
},
{
"id": "mp-755672",
"created_at": "2022-09-04T14:48:07.362792Z",
"structure_string": "Li4 Ni5 Sn1 O12\n1.0\n4.346282 2.560671 0.000000\n-4.346282 2.560671 0.000000\n0.000000 0.307755 10.039226\nLi Ni Sn O\n4 5 1 12\ndirect\n0.655761 0.152341 0.747455 Li\n0.847659 0.344239 0.252545 Li\n0.152341 0.655761 0.747455 Li\n0.344239 0.847659 0.252545 Li\n0.837618 0.162382 0.500000 Ni\n0.335981 0.664019 0.000000 Ni\n0.664019 0.335981 0.000000 Ni\n0.162382 0.837618 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.667466 0.028285 0.112099 O\n0.971715 0.332534 0.887901 O\n0.505890 0.142857 0.398455 O\n0.142857 0.505890 0.398455 O\n0.857143 0.494110 0.601545 O\n0.137288 0.137288 0.596658 O\n0.494110 0.857143 0.601545 O\n0.028285 0.667466 0.112099 O\n0.350250 0.350250 0.102246 O\n0.332534 0.971715 0.887901 O\n0.649750 0.649750 0.897754 O\n0.862712 0.862712 0.403342 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 4.695899258474339,
"density_atomic": 0.0984511446388635,
"volume": 223.46108905792772,
"volume_molar": 6.116882421316984,
"formula_full": "Li4 Ni5 Sn1 O12",
"formula_reduced": "Li4Ni5SnO12",
"formula_anonymous": "AB4C5D12",
"energy": -131.34925435,
"energy_per_atom": -5.970420652272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -110.40025435,
"band_gap": 0.3176999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9990713,
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"updated_at": "2021-11-28T01:38:27.054000Z",
"spacegroup": 12
},
{
"id": "mp-1178122",
"created_at": "2022-09-04T14:48:07.300321Z",
"structure_string": "Li8 Fe16 O32\n1.0\n5.953617 -5.959705 0.000000\n5.953617 5.959705 0.000000\n-0.012181 0.000000 8.423983\nLi Fe O\n8 16 32\ndirect\n0.879446 0.879446 0.879446 Li\n0.752187 0.748630 0.253358 Li\n0.748630 0.253358 0.752187 Li\n0.622821 0.125252 0.378450 Li\n0.378450 0.622821 0.125252 Li\n0.253358 0.752187 0.748630 Li\n0.251585 0.251585 0.251585 Li\n0.125252 0.378450 0.622821 Li\n0.000742 0.495305 0.007572 Fe\n0.887122 0.622363 0.631184 Fe\n0.880210 0.374958 0.387818 Fe\n0.878431 0.116418 0.125234 Fe\n0.631184 0.887122 0.622363 Fe\n0.622363 0.631184 0.887122 Fe\n0.617180 0.378077 0.128763 Fe\n0.504381 0.504381 0.504381 Fe\n0.495305 0.007572 0.000742 Fe\n0.387818 0.880210 0.374958 Fe\n0.378077 0.128763 0.617180 Fe\n0.374958 0.387818 0.880210 Fe\n0.128763 0.617180 0.378077 Fe\n0.125234 0.878431 0.116418 Fe\n0.116418 0.125234 0.878431 Fe\n0.007572 0.000742 0.495305 Fe\n0.895232 0.127505 0.890799 O\n0.890799 0.895232 0.127505 O\n0.888825 0.612993 0.390152 O\n0.877358 0.387182 0.610360 O\n0.881631 0.137720 0.369273 O\n0.863658 0.363009 0.141463 O\n0.872427 0.621073 0.868774 O\n0.868774 0.872427 0.621073 O\n0.636731 0.140423 0.126273 O\n0.636977 0.380167 0.364516 O\n0.638010 0.638010 0.638010 O\n0.621073 0.868774 0.872427 O\n0.625630 0.602781 0.116251 O\n0.612993 0.390152 0.888825 O\n0.602781 0.116251 0.625630 O\n0.610360 0.877358 0.387182 O\n0.395972 0.373173 0.116325 O\n0.387182 0.610360 0.877358 O\n0.390152 0.888825 0.612993 O\n0.373173 0.116325 0.395972 O\n0.380167 0.364516 0.636977 O\n0.363009 0.141463 0.863658 O\n0.369273 0.881631 0.137720 O\n0.364516 0.636977 0.380167 O\n0.137720 0.369273 0.881631 O\n0.140423 0.126273 0.636731 O\n0.141463 0.863658 0.363009 O\n0.126273 0.636731 0.140423 O\n0.127505 0.890799 0.895232 O\n0.116633 0.116633 0.116633 O\n0.116325 0.395972 0.373173 O\n0.116251 0.625630 0.602781 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.058398988664548,
"density_atomic": 0.09367741407916341,
"volume": 597.7961769170572,
"volume_molar": 6.428594148543539,
"formula_full": "Li8 Fe16 O32",
"formula_reduced": "Li(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -401.66545714,
"energy_per_atom": -7.172597448928571,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -343.58545714,
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"is_magnetic": true,
"total_magnetization": 71.9895069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.692000Z",
"spacegroup": 146
},
{
"id": "mp-1163919",
"created_at": "2022-09-04T14:48:07.301520Z",
"structure_string": "Zn2 Si4 W2 O12\n1.0\n4.705219 5.018263 0.000000\n-4.705219 5.018263 0.000000\n0.000000 1.704187 5.232022\nZn Si W O\n2 4 2 12\ndirect\n0.715387 0.284613 0.750000 Zn\n0.284613 0.715387 0.250000 Zn\n0.378819 0.212886 0.246323 Si\n0.787114 0.621181 0.253677 Si\n0.212886 0.378819 0.746323 Si\n0.621181 0.787114 0.753677 Si\n0.897130 0.102870 0.250000 W\n0.102870 0.897130 0.750000 W\n0.361707 0.332583 0.481029 O\n0.667417 0.638293 0.018971 O\n0.638293 0.667417 0.518971 O\n0.332583 0.361707 0.981029 O\n0.602811 0.124528 0.172815 O\n0.875472 0.397189 0.327185 O\n0.397189 0.875472 0.827185 O\n0.124528 0.602811 0.672815 O\n0.044640 0.197050 0.845501 O\n0.802950 0.955360 0.654499 O\n0.197050 0.044640 0.345501 O\n0.955360 0.802950 0.154499 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"W",
"O"
],
"chemical_system": "O-Si-W-Zn",
"density": 5.395620392017943,
"density_atomic": 0.08094633278432914,
"volume": 247.0772833315052,
"volume_molar": 7.439670894103631,
"formula_full": "Zn2 Si4 W2 O12",
"formula_reduced": "ZnSi2WO6",
"formula_anonymous": "ABC2D6",
"energy": -155.91647176,
"energy_per_atom": -7.795823588,
"energy_above_hull": null,
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"energy_uncorrected": -138.79647176,
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"updated_at": "2021-11-28T01:38:30.121000Z",
"spacegroup": 15
},
{
"id": "mp-758921",
"created_at": "2022-09-04T14:48:07.304642Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.208202 0.464092 -0.113150\n0.994695 7.767396 -0.482887\n0.011239 -0.195697 8.371612\nLi Fe P O\n4 4 4 16\ndirect\n0.269872 0.184966 0.897422 Li\n0.316829 0.672831 0.570455 Li\n0.683168 0.327174 0.429558 Li\n0.730093 0.815023 0.102585 Li\n0.166811 0.948936 0.301242 Fe\n0.179232 0.445221 0.224261 Fe\n0.820875 0.554813 0.775698 Fe\n0.833194 0.051073 0.698754 Fe\n0.242422 0.281638 0.563241 P\n0.234619 0.791693 0.914150 P\n0.765380 0.208292 0.085857 P\n0.757580 0.718370 0.436752 P\n0.064627 0.168856 0.472709 O\n0.014961 0.285165 0.070110 O\n0.118349 0.343591 0.731313 O\n0.262880 0.439919 0.467363 O\n0.162597 0.963562 0.826639 O\n0.436700 0.657492 0.808374 O\n0.351859 0.829463 0.081590 O\n0.527477 0.179612 0.579632 O\n0.472516 0.820400 0.420376 O\n0.648122 0.170511 0.918425 O\n0.563291 0.342485 0.191633 O\n0.837401 0.036428 0.173363 O\n0.737124 0.560086 0.532636 O\n0.881632 0.656408 0.268682 O\n0.985010 0.714836 0.929896 O\n0.935377 0.831154 0.527286 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.134089554517953,
"density_atomic": 0.08374727970408546,
"volume": 334.339217929655,
"volume_molar": 7.190849399859636,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy": -210.63451428,
"energy_per_atom": -7.522661224285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -190.61851428,
"band_gap": 3.5929,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.946000Z",
"spacegroup": 2
},
{
"id": "mp-867640",
"created_at": "2022-09-04T14:48:07.320419Z",
"structure_string": "Li4 Co1 Ni3 O8\n1.0\n-0.038813 -5.794693 -0.020818\n-2.784745 -2.893491 -4.219881\n2.998293 -2.857935 -4.036418\nLi Co Ni O\n4 1 3 8\ndirect\n0.499982 0.500006 0.499999 Li\n0.000017 0.499995 0.499997 Li\n0.499990 0.000007 0.500011 Li\n0.999999 0.999993 0.499993 Li\n0.999998 0.000005 0.999994 Co\n0.000010 0.499987 0.999996 Ni\n0.500000 0.499994 0.000001 Ni\n0.499997 0.999998 0.000013 Ni\n0.758885 0.779611 0.219341 O\n0.231058 0.760756 0.245365 O\n0.760933 0.240924 0.220404 O\n0.282676 0.253536 0.211230 O\n0.717336 0.746466 0.788765 O\n0.239065 0.759084 0.779582 O\n0.768953 0.239244 0.754619 O\n0.241117 0.220389 0.780670 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Co",
"Ni",
"O"
],
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"density": 4.698034631912383,
"density_atomic": 0.1158411873115446,
"volume": 138.12013128775536,
"volume_molar": 5.198617952528393,
"formula_full": "Li4 Co1 Ni3 O8",
"formula_reduced": "Li4CoNi3O8",
"formula_anonymous": "AB3C4D8",
"energy": -96.61676949,
"energy_per_atom": -6.038548093125,
"energy_above_hull": null,
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"energy_uncorrected": -81.85976949,
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"updated_at": "2021-11-28T01:38:25.492000Z",
"spacegroup": 12
},
{
"id": "mp-1016849",
"created_at": "2022-09-04T14:48:07.323150Z",
"structure_string": "Cd1 Ru1 O3\n1.0\n3.928223 0.000000 0.000000\n0.000000 3.928223 0.000000\n0.000000 0.000000 3.928223\nCd Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ru",
"O"
],
"chemical_system": "Cd-O-Ru",
"density": 7.1630476902911004,
"density_atomic": 0.08248625794409857,
"volume": 60.61615746211363,
"volume_molar": 7.300780651343452,
"formula_full": "Cd1 Ru1 O3",
"formula_reduced": "CdRuO3",
"formula_anonymous": "ABC3",
"energy": -30.47392363,
"energy_per_atom": -6.094784726,
"energy_above_hull": null,
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"energy_uncorrected": -28.41292363,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:27.342000Z",
"spacegroup": 221
},
{
"id": "mp-1201732",
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"structure_string": "Pr2 Fe2 H16 C12 N12 O8\n1.0\n3.932854 -6.881385 0.000000\n3.932854 6.881385 0.000000\n0.000000 0.000000 14.413955\nPr Fe H C N O\n2 2 16 12 12 8\ndirect\n0.823969 0.176031 0.250000 Pr\n0.176031 0.823969 0.750000 Pr\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.187919 0.812081 0.046065 H\n0.812081 0.187919 0.953935 H\n0.187919 0.812081 0.453935 H\n0.812081 0.187919 0.546065 H\n0.087603 0.912397 0.095748 H\n0.912397 0.087603 0.904252 H\n0.087603 0.912397 0.404252 H\n0.912397 0.087603 0.595748 H\n0.376570 0.977698 0.195086 H\n0.977698 0.376570 0.804914 H\n0.376570 0.977698 0.304914 H\n0.977698 0.376570 0.695086 H\n0.623430 0.022302 0.804914 H\n0.022302 0.623430 0.195086 H\n0.623430 0.022302 0.695086 H\n0.022302 0.623430 0.304914 H\n0.350972 0.256389 0.905416 C\n0.256389 0.350972 0.094584 C\n0.350972 0.256389 0.594584 C\n0.256389 0.350972 0.405416 C\n0.649028 0.743611 0.094584 C\n0.743611 0.649028 0.905416 C\n0.649028 0.743611 0.405416 C\n0.743611 0.649028 0.594584 C\n0.644283 0.355717 0.060546 C\n0.355717 0.644283 0.939454 C\n0.644283 0.355717 0.439454 C\n0.355717 0.644283 0.560546 C\n0.724640 0.881670 0.142563 N\n0.881670 0.724640 0.857437 N\n0.724640 0.881670 0.357437 N\n0.881670 0.724640 0.642563 N\n0.275360 0.118330 0.857437 N\n0.118330 0.275360 0.142563 N\n0.275360 0.118330 0.642563 N\n0.118330 0.275360 0.357437 N\n0.719451 0.280549 0.098769 N\n0.280549 0.719451 0.901231 N\n0.719451 0.280549 0.401231 N\n0.280549 0.719451 0.598769 N\n0.157527 0.842473 0.107526 O\n0.842473 0.157527 0.892474 O\n0.157527 0.842473 0.392474 O\n0.842473 0.157527 0.607526 O\n0.462036 0.027184 0.250000 O\n0.027184 0.462036 0.750000 O\n0.537964 0.972816 0.750000 O\n0.972816 0.537964 0.250000 O\n",
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"updated_at": "2021-11-28T01:38:28.967000Z",
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},
{
"id": "mp-4338",
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"structure_string": "Cr4 Cd2 S8\n1.0\n0.000000 5.162654 5.162654\n5.162654 0.000000 5.162654\n5.162654 5.162654 0.000000\nCr Cd S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Cr\n0.125000 0.625000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.125000 0.125000 Cr\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.358808 0.358808 0.358808 S\n0.326424 0.891192 0.891192 S\n0.891192 0.891192 0.326424 S\n0.891192 0.326424 0.891192 S\n0.358808 0.358808 0.923576 S\n0.358808 0.923576 0.358808 S\n0.891192 0.891192 0.891192 S\n0.923576 0.358808 0.358808 S\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cd-Cr-S",
"density": 4.159345091027656,
"density_atomic": 0.050872019790240926,
"volume": 275.2003961652354,
"volume_molar": 11.837825163677227,
"formula_full": "Cr4 Cd2 S8",
"formula_reduced": "Cr2CdS4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:38:32.337000Z",
"spacegroup": 227
},
{
"id": "mp-770500",
"created_at": "2022-09-04T14:48:07.356697Z",
"structure_string": "Na12 Mn4 B8 S2 O32\n1.0\n0.000000 6.953954 6.953954\n6.953954 0.000000 6.953954\n6.953954 6.953954 0.000000\nNa Mn B S O\n12 4 8 2 32\ndirect\n0.967646 0.967646 0.532354 Na\n0.717646 0.282354 0.282354 Na\n0.967646 0.532354 0.967646 Na\n0.532354 0.967646 0.532354 Na\n0.717646 0.717646 0.282354 Na\n0.282354 0.717646 0.717646 Na\n0.532354 0.532354 0.967646 Na\n0.967646 0.532354 0.532354 Na\n0.717646 0.282354 0.717646 Na\n0.282354 0.717646 0.282354 Na\n0.532354 0.967646 0.967646 Na\n0.282354 0.282354 0.717646 Na\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.125000 0.125000 Mn\n0.625000 0.125000 0.125000 Mn\n0.336054 0.991837 0.336054 B\n0.991837 0.336054 0.336054 B\n0.336054 0.336054 0.991837 B\n0.336054 0.336054 0.336054 B\n0.913946 0.913946 0.913946 B\n0.258163 0.913946 0.913946 B\n0.913946 0.913946 0.258163 B\n0.913946 0.258163 0.913946 B\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.942513 0.033971 0.265272 O\n0.758243 0.265272 0.033971 O\n0.216029 0.984728 0.307487 O\n0.307487 0.984728 0.491757 O\n0.687866 0.687866 0.687866 O\n0.984728 0.307487 0.216029 O\n0.984728 0.216029 0.491757 O\n0.687866 0.687866 0.936401 O\n0.936401 0.687866 0.687866 O\n0.491757 0.307487 0.984728 O\n0.216029 0.491757 0.984728 O\n0.687866 0.936401 0.687866 O\n0.491757 0.216029 0.307487 O\n0.984728 0.491757 0.307487 O\n0.216029 0.307487 0.491757 O\n0.942513 0.758243 0.033971 O\n0.307487 0.491757 0.216029 O\n0.033971 0.942513 0.758243 O\n0.265272 0.758243 0.942513 O\n0.758243 0.033971 0.942513 O\n0.562134 0.313599 0.562134 O\n0.033971 0.758243 0.265272 O\n0.758243 0.942513 0.265272 O\n0.562134 0.562134 0.313599 O\n0.313599 0.562134 0.562134 O\n0.265272 0.033971 0.758243 O\n0.265272 0.942513 0.033971 O\n0.562134 0.562134 0.562134 O\n0.942513 0.265272 0.758243 O\n0.033971 0.265272 0.942513 O\n0.491757 0.984728 0.216029 O\n0.307487 0.216029 0.984728 O\n",
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}
]
}