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{
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"results": [
{
"id": "mp-26219",
"created_at": "2022-09-04T14:44:29.462777Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000005 5.630592 0.000004\n0.000099 0.000006 8.499356\n6.324758 -0.000008 0.000075\nLi Mn P O\n4 4 4 16\ndirect\n0.249997 0.914374 0.253059 Li\n0.750006 0.414346 0.246960 Li\n0.249997 0.585633 0.753042 Li\n0.750008 0.085610 0.746945 Li\n0.250048 0.249945 0.497904 Mn\n0.750008 0.750099 0.502430 Mn\n0.749975 0.750002 0.001928 Mn\n0.250006 0.250239 0.997729 Mn\n0.249997 0.602893 0.252662 P\n0.750001 0.102891 0.247315 P\n0.249993 0.897099 0.752697 P\n0.750004 0.397095 0.747347 P\n0.250002 0.501004 0.051663 O\n0.749991 0.001030 0.448267 O\n0.249991 0.998953 0.551746 O\n0.749999 0.498969 0.948338 O\n0.749996 0.001740 0.045911 O\n0.249998 0.501709 0.454144 O\n0.749997 0.498272 0.545877 O\n0.249997 0.998247 0.954089 O\n0.971781 0.216738 0.247771 O\n0.528218 0.216741 0.247765 O\n0.028157 0.716777 0.252192 O\n0.471838 0.716776 0.252196 O\n0.528187 0.283187 0.747788 O\n0.971820 0.283191 0.747786 O\n0.028219 0.783219 0.752225 O\n0.471772 0.783220 0.752222 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
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"volume": 302.68018601707996,
"volume_molar": 6.509938162349427,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -218.27363478,
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"updated_at": "2021-11-28T01:36:41.871000Z",
"spacegroup": 63
},
{
"id": "mp-1096977",
"created_at": "2022-09-04T14:44:29.481562Z",
"structure_string": "H1\n1.0\n2.612964 0.000000 0.000000\n0.000000 2.612964 0.000000\n0.000000 0.000000 0.985799\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
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"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24867295324987948,
"density_atomic": 0.14857466993999568,
"volume": 6.730622389427931,
"volume_molar": 4.053275543154253,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.00810299,
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"energy_uncorrected": -3.00810299,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.914000Z",
"spacegroup": 123
},
{
"id": "mp-569557",
"created_at": "2022-09-04T14:44:29.521772Z",
"structure_string": "Dy6 Cu2 Si2 Se14\n1.0\n5.171337 -8.957018 0.000000\n5.171337 8.957018 0.000000\n0.000000 0.000000 6.017092\nDy Cu Si Se\n6 2 2 14\ndirect\n0.355600 0.223811 0.240392 Dy\n0.131789 0.355600 0.740392 Dy\n0.223811 0.868211 0.740392 Dy\n0.868211 0.644400 0.240392 Dy\n0.644400 0.776189 0.740392 Dy\n0.776189 0.131789 0.240392 Dy\n0.000000 0.000000 0.689623 Cu\n0.000000 0.000000 0.189623 Cu\n0.333333 0.666667 0.329108 Si\n0.666667 0.333333 0.829108 Si\n0.666667 0.333333 0.451285 Se\n0.899569 0.420442 0.984634 Se\n0.333333 0.666667 0.951285 Se\n0.901333 0.738462 0.710730 Se\n0.261538 0.162872 0.710730 Se\n0.162872 0.901333 0.210730 Se\n0.098667 0.261538 0.210730 Se\n0.100431 0.579558 0.484634 Se\n0.579558 0.479127 0.984634 Se\n0.420442 0.520873 0.484634 Se\n0.837128 0.098667 0.710730 Se\n0.738462 0.837128 0.210730 Se\n0.520873 0.100431 0.984634 Se\n0.479127 0.899569 0.484634 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Dy-Se-Si",
"density": 6.743503839362457,
"density_atomic": 0.04305546727669685,
"volume": 557.4204977445373,
"volume_molar": 13.986936249695276,
"formula_full": "Dy6 Cu2 Si2 Se14",
"formula_reduced": "Dy3CuSiSe7",
"formula_anonymous": "ABC3D7",
"energy": -133.60713531,
"energy_per_atom": -5.56696397125,
"energy_above_hull": null,
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"energy_uncorrected": -126.99913531,
"band_gap": 1.5196000000000005,
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"total_magnetization": 0.0006485,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.424000Z",
"spacegroup": 173
},
{
"id": "mp-1178808",
"created_at": "2022-09-04T14:44:29.534485Z",
"structure_string": "V16 Ir16\n1.0\n-3.593802 5.563498 5.589712\n3.593802 -5.563498 5.589712\n3.593802 5.563498 -5.589712\nV Ir\n16 16\ndirect\n0.096018 0.227201 0.868817 V\n0.358384 0.227201 0.131183 V\n0.848956 0.230113 0.618842 V\n0.611271 0.230113 0.381158 V\n0.367970 0.500000 0.867970 V\n0.632030 0.500000 0.132030 V\n0.116144 0.500000 0.616144 V\n0.883856 0.500000 0.383856 V\n0.869813 0.000000 0.869813 V\n0.130187 0.000000 0.130187 V\n0.620258 0.000000 0.620258 V\n0.379742 0.000000 0.379742 V\n0.641616 0.772799 0.868817 V\n0.903982 0.772799 0.131183 V\n0.388729 0.769887 0.618842 V\n0.151044 0.769887 0.381158 V\n0.126943 0.383792 0.256850 Ir\n0.126943 0.870093 0.743150 Ir\n0.877329 0.395115 0.018567 Ir\n0.376548 0.858762 0.981433 Ir\n0.877329 0.858762 0.482213 Ir\n0.376548 0.395115 0.517787 Ir\n0.627027 0.849984 0.222957 Ir\n0.627027 0.404071 0.777043 Ir\n0.873057 0.129907 0.256850 Ir\n0.873057 0.616208 0.743150 Ir\n0.623452 0.141238 0.018567 Ir\n0.122671 0.604885 0.981433 Ir\n0.623452 0.604885 0.482213 Ir\n0.122671 0.141238 0.517787 Ir\n0.372973 0.595929 0.222957 Ir\n0.372973 0.150016 0.777043 Ir\n",
"nsites": 32,
"nelements": 2,
"elements": [
"V",
"Ir"
],
"chemical_system": "Ir-V",
"density": 14.451303763707854,
"density_atomic": 0.07158111722242194,
"volume": 447.04527173789876,
"volume_molar": 8.413029851556487,
"formula_full": "V16 Ir16",
"formula_reduced": "VIr",
"formula_anonymous": "AB",
"energy": -303.3522759,
"energy_per_atom": -9.479758621875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -303.3522759,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0037776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.827000Z",
"spacegroup": 71
},
{
"id": "mp-1217516",
"created_at": "2022-09-04T14:44:29.539076Z",
"structure_string": "U2 Ni2 Sn2\n1.0\n-2.101376 2.893281 -4.732095\n2.101376 -2.947431 -4.716732\n-2.101376 -2.947431 -4.716732\nU Ni Sn\n2 2 2\ndirect\n0.213449 0.502656 0.289207 U\n0.786551 0.497344 0.710793 U\n0.623649 0.129609 0.505960 Ni\n0.376351 0.870391 0.494040 Ni\n0.795157 0.791346 0.996190 Sn\n0.204843 0.208654 0.003810 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-U",
"density": 11.896668485831245,
"density_atomic": 0.051736523975342896,
"volume": 115.97222888146756,
"volume_molar": 11.640018109585585,
"formula_full": "U2 Ni2 Sn2",
"formula_reduced": "UNiSn",
"formula_anonymous": "ABC",
"energy": -43.51724833,
"energy_per_atom": -7.252874721666667,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -43.51724833,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.980000Z",
"spacegroup": 12
},
{
"id": "mp-756024",
"created_at": "2022-09-04T14:44:29.478956Z",
"structure_string": "Cr4 Sb8 O24\n1.0\n-0.001229 4.765995 0.000002\n-0.185616 0.000051 19.178019\n4.786858 -0.001230 0.046368\nCr Sb O\n4 8 24\ndirect\n0.000004 0.499952 0.999958 Cr\n0.499996 0.749961 0.500046 Cr\n0.999987 0.999953 0.999972 Cr\n0.500071 0.249997 0.500027 Cr\n0.000196 0.166570 0.999993 Sb\n0.000147 0.666554 0.000061 Sb\n0.499833 0.416460 0.499971 Sb\n0.499783 0.916448 0.499968 Sb\n0.500156 0.083497 0.499952 Sb\n0.500164 0.583523 0.499993 Sb\n0.999861 0.333423 0.000013 Sb\n0.999791 0.833415 0.000066 Sb\n0.801900 0.249928 0.191040 O\n0.801909 0.749916 0.191024 O\n0.301874 0.000148 0.308911 O\n0.301966 0.500161 0.308981 O\n0.698059 0.500133 0.690986 O\n0.698100 0.000118 0.691003 O\n0.198136 0.249955 0.808924 O\n0.198001 0.749946 0.809090 O\n0.804165 0.417440 0.187996 O\n0.804218 0.917421 0.187888 O\n0.804381 0.082872 0.188367 O\n0.804372 0.582894 0.188417 O\n0.304168 0.167005 0.311325 O\n0.304136 0.666987 0.311379 O\n0.303870 0.332688 0.311690 O\n0.303709 0.832663 0.311620 O\n0.696363 0.166997 0.688523 O\n0.696339 0.666985 0.688581 O\n0.695733 0.332698 0.688459 O\n0.695808 0.832682 0.688586 O\n0.195387 0.417434 0.811823 O\n0.195247 0.917405 0.811955 O\n0.196087 0.082871 0.811699 O\n0.196080 0.582898 0.811712 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb",
"density": 5.9430059445612775,
"density_atomic": 0.08227235787677177,
"volume": 437.5710254216988,
"volume_molar": 7.319761965519468,
"formula_full": "Cr4 Sb8 O24",
"formula_reduced": "Cr(SbO3)2",
"formula_anonymous": "AB2C6",
"energy": -261.05370655,
"energy_per_atom": -7.251491848611112,
"energy_above_hull": null,
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"energy_uncorrected": -236.56970655,
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"updated_at": "2021-11-28T01:36:39.445000Z",
"spacegroup": 136
},
{
"id": "mp-1377161",
"created_at": "2022-09-04T14:44:30.454354Z",
"structure_string": "Zn4 Co4 F20\n1.0\n9.664281 0.000000 0.000000\n0.000000 5.219532 0.000000\n0.000000 2.589968 6.967285\nZn Co F\n4 4 20\ndirect\n0.010895 0.521258 0.743127 Zn\n0.510895 0.478742 0.756873 Zn\n0.989105 0.478742 0.256873 Zn\n0.489105 0.521258 0.243127 Zn\n0.752950 0.098804 0.602047 Co\n0.252950 0.901196 0.897953 Co\n0.247050 0.901196 0.397953 Co\n0.747050 0.098804 0.102047 Co\n0.886159 0.394727 0.566911 F\n0.386159 0.605273 0.933089 F\n0.113841 0.605273 0.433089 F\n0.613841 0.394727 0.066911 F\n0.610057 0.353496 0.494317 F\n0.110057 0.646504 0.005683 F\n0.389943 0.646504 0.505683 F\n0.889943 0.353496 0.994317 F\n0.399240 0.144026 0.801477 F\n0.899240 0.855974 0.698523 F\n0.600760 0.855974 0.198523 F\n0.100760 0.144026 0.301477 F\n0.134656 0.209628 0.849772 F\n0.634656 0.790372 0.650228 F\n0.865344 0.790372 0.150228 F\n0.365344 0.209628 0.349772 F\n0.686161 0.157422 0.836929 F\n0.186161 0.842578 0.663071 F\n0.313839 0.842578 0.163071 F\n0.813839 0.157422 0.336929 F\n",
"nsites": 28,
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"elements": [
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"F"
],
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"density": 4.145250458684605,
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"volume": 351.45092402736174,
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"formula_full": "Zn4 Co4 F20",
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"formula_anonymous": "ABC5",
"energy": -133.77862441,
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"updated_at": "2021-11-28T01:36:45.614000Z",
"spacegroup": 14
},
{
"id": "mp-1247683",
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{
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{
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]
}