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{
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"results": [
{
"id": "mp-25946",
"created_at": "2022-09-04T14:40:37.847119Z",
"structure_string": "Sb4 P10 O32\n1.0\n10.443986 0.000000 0.000000\n0.000000 7.564572 0.000000\n0.000000 3.793452 10.006903\nSb P O\n4 10 32\ndirect\n0.371019 0.922202 0.871977 Sb\n0.628981 0.922202 0.371977 Sb\n0.858818 0.377595 0.981990 Sb\n0.141182 0.377595 0.481990 Sb\n0.147992 0.606687 0.881651 P\n0.705101 0.551836 0.628246 P\n0.852008 0.606687 0.381651 P\n0.467185 0.501696 0.509275 P\n0.117293 0.257619 0.824317 P\n0.294899 0.551836 0.128246 P\n0.532815 0.501696 0.009275 P\n0.882707 0.257619 0.324317 P\n0.412000 0.113664 0.532887 P\n0.588000 0.113664 0.032887 P\n0.218839 0.789981 0.805704 O\n0.477934 0.665647 0.892279 O\n0.011077 0.628064 0.914964 O\n0.692587 0.768029 0.571761 O\n0.781161 0.789981 0.305704 O\n0.165449 0.475492 0.795638 O\n0.522066 0.665647 0.392279 O\n0.988923 0.628064 0.414964 O\n0.767589 0.467092 0.760129 O\n0.307413 0.768029 0.071761 O\n0.333802 0.510826 0.556245 O\n0.515751 0.317471 0.968107 O\n0.564942 0.460016 0.634637 O\n0.774850 0.487716 0.516838 O\n0.007024 0.218777 0.925378 O\n0.834551 0.475492 0.295638 O\n0.232411 0.467092 0.260129 O\n0.076203 0.257097 0.687414 O\n0.666198 0.510826 0.056245 O\n0.235271 0.135237 0.884165 O\n0.484249 0.317471 0.468107 O\n0.435058 0.460016 0.134637 O\n0.225150 0.487716 0.016838 O\n0.540760 0.001632 0.947401 O\n0.992976 0.218777 0.425378 O\n0.267226 0.137500 0.521358 O\n0.923797 0.257097 0.187414 O\n0.459199 0.029386 0.678680 O\n0.764729 0.135237 0.384165 O\n0.459240 0.001632 0.447401 O\n0.732774 0.137500 0.021358 O\n0.540801 0.029386 0.178680 O\n",
"nsites": 46,
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"elements": [
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],
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"density": 2.74889565177474,
"density_atomic": 0.05818452587620945,
"volume": 790.5882072128137,
"volume_molar": 10.350072754416548,
"formula_full": "Sb4 P10 O32",
"formula_reduced": "Sb2P5O16",
"formula_anonymous": "A2B5C16",
"energy": -338.88829181,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:07.456000Z",
"spacegroup": 7
},
{
"id": "mp-1020683",
"created_at": "2022-09-04T14:40:29.093936Z",
"structure_string": "Na2 Ca2 P6 O18\n1.0\n6.810581 0.000000 0.000000\n0.888563 6.986135 0.000000\n1.171232 0.730315 7.617288\nNa Ca P O\n2 2 6 18\ndirect\n0.466460 0.372650 0.338326 Na\n0.533540 0.627350 0.661674 Na\n0.012804 0.727557 0.638251 Ca\n0.987196 0.272443 0.361749 Ca\n0.832286 0.797927 0.276712 P\n0.167714 0.202073 0.723288 P\n0.811290 0.335224 0.946153 P\n0.188710 0.664776 0.053847 P\n0.615065 0.115778 0.721203 P\n0.384935 0.884222 0.278797 P\n0.084629 0.042711 0.654403 O\n0.915371 0.957289 0.345597 O\n0.377440 0.136858 0.789725 O\n0.622560 0.863142 0.210275 O\n0.172004 0.382993 0.596521 O\n0.827996 0.617007 0.403479 O\n0.042882 0.242458 0.912438 O\n0.957118 0.757542 0.087562 O\n0.765062 0.342163 0.141111 O\n0.234938 0.657837 0.858889 O\n0.786095 0.514916 0.824361 O\n0.213905 0.485084 0.175639 O\n0.689419 0.171190 0.896136 O\n0.310581 0.828810 0.103864 O\n0.659518 0.266336 0.569884 O\n0.340482 0.733664 0.430116 O\n0.680394 0.907732 0.701097 O\n0.319606 0.092268 0.298903 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Ca",
"P",
"O"
],
"chemical_system": "Ca-Na-O-P",
"density": 2.7488761523236427,
"density_atomic": 0.07725676505914099,
"volume": 362.4278078245402,
"volume_molar": 7.794968835920036,
"formula_full": "Na2 Ca2 P6 O18",
"formula_reduced": "NaCa(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -208.27873395,
"energy_per_atom": -7.4385262125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -195.91273395,
"band_gap": 5.4489,
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"updated_at": "2021-11-28T01:34:59.025000Z",
"spacegroup": 2
},
{
"id": "mp-775340",
"created_at": "2022-09-04T14:40:13.324085Z",
"structure_string": "Li4 Cr2 Si12 O30\n1.0\n-3.894533 4.969105 7.403925\n3.894533 -4.969105 7.403925\n3.894533 4.969105 -7.403925\nLi Cr Si O\n4 2 12 30\ndirect\n0.244148 0.244148 0.500000 Li\n0.244148 0.744148 0.000000 Li\n0.755852 0.755852 0.500000 Li\n0.755852 0.255852 0.000000 Li\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.878545 0.651835 0.226711 Si\n0.074876 0.848165 0.226711 Si\n0.389911 0.545150 0.229750 Si\n0.389911 0.160162 0.844762 Si\n0.184600 0.954850 0.844762 Si\n0.184600 0.339838 0.229750 Si\n0.610089 0.839838 0.155238 Si\n0.610089 0.454850 0.770250 Si\n0.815400 0.045150 0.155238 Si\n0.815400 0.660162 0.770250 Si\n0.121455 0.348165 0.773289 Si\n0.925124 0.151835 0.773289 Si\n0.950557 0.250000 0.700557 O\n0.738500 0.067711 0.670789 O\n0.103078 0.432289 0.670789 O\n0.768114 0.810754 0.292776 O\n0.768114 0.475338 0.957360 O\n0.473972 0.370511 0.103461 O\n0.982022 0.689246 0.957360 O\n0.982022 0.024662 0.292776 O\n0.232950 0.129489 0.103461 O\n0.157446 0.392701 0.408082 O\n0.157446 0.749364 0.764745 O\n0.515381 0.750636 0.408082 O\n0.515381 0.107299 0.764745 O\n0.325888 0.990836 0.816723 O\n0.325888 0.509164 0.335052 O\n0.674112 0.009164 0.183277 O\n0.674112 0.490836 0.664948 O\n0.842554 0.250636 0.235255 O\n0.842554 0.607299 0.591918 O\n0.484619 0.249364 0.591918 O\n0.484619 0.892701 0.235255 O\n0.526028 0.629489 0.896539 O\n0.231886 0.524662 0.042640 O\n0.231886 0.189246 0.707224 O\n0.767050 0.870511 0.896539 O\n0.017978 0.310754 0.042640 O\n0.017978 0.975338 0.707224 O\n0.261500 0.932289 0.329211 O\n0.896922 0.567711 0.329211 O\n0.049443 0.750000 0.299443 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.7488549409800997,
"density_atomic": 0.08375016539177695,
"volume": 573.1331965191905,
"volume_molar": 7.190601632640224,
"formula_full": "Li4 Cr2 Si12 O30",
"formula_reduced": "Li2Cr(Si2O5)3",
"formula_anonymous": "AB2C6D15",
"energy": -381.84940651,
"energy_per_atom": -7.955195968958333,
"energy_above_hull": null,
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"energy_uncorrected": -357.24140651,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.620000Z",
"spacegroup": 74
},
{
"id": "mp-758451",
"created_at": "2022-09-04T14:40:58.094848Z",
"structure_string": "Li2 V2 P6 O18\n1.0\n-3.248687 5.626869 0.000011\n0.000065 0.000057 9.742883\n3.248546 5.626789 0.000055\nLi V P O\n2 2 6 18\ndirect\n0.666772 0.499999 0.666750 Li\n0.666480 0.000000 0.666750 Li\n0.333340 0.500034 0.333350 V\n0.333253 0.999997 0.333384 V\n0.725961 0.749971 0.020973 P\n0.725971 0.250020 0.253062 P\n0.253066 0.250028 0.020978 P\n0.020974 0.749960 0.253057 P\n0.253054 0.749975 0.725949 P\n0.021005 0.250038 0.725943 P\n0.981677 0.250000 0.232152 O\n0.786190 0.750020 0.232143 O\n0.981654 0.750018 0.786182 O\n0.786223 0.249962 0.981643 O\n0.232159 0.250003 0.786188 O\n0.232135 0.749977 0.981650 O\n0.606283 0.883376 0.026827 O\n0.606358 0.616667 0.026807 O\n0.606330 0.383319 0.366800 O\n0.606323 0.116609 0.366875 O\n0.366866 0.116613 0.026820 O\n0.366853 0.383316 0.026825 O\n0.026874 0.883371 0.366835 O\n0.026798 0.616667 0.366847 O\n0.366818 0.616691 0.606283 O\n0.366849 0.883395 0.606327 O\n0.026823 0.383344 0.606356 O\n0.026911 0.116633 0.606241 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.7486823193832026,
"density_atomic": 0.07861010668015318,
"volume": 356.188296676987,
"volume_molar": 7.660771641619487,
"formula_full": "Li2 V2 P6 O18",
"formula_reduced": "LiV(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -216.17454034,
"energy_per_atom": -7.720519297857143,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -200.40854034,
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"is_magnetic": true,
"total_magnetization": 1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.093000Z",
"spacegroup": 188
},
{
"id": "mp-1013534",
"created_at": "2022-09-04T14:42:49.666993Z",
"structure_string": "Sr3 Sb1 N1\n1.0\n6.221556 0.000000 0.000000\n0.000000 6.221556 0.000000\n0.000000 0.000000 6.221556\nSr Sb N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
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"elements": [
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"Sb",
"N"
],
"chemical_system": "N-Sb-Sr",
"density": 2.748643644532301,
"density_atomic": 0.020762180421147386,
"volume": 240.822490633365,
"volume_molar": 29.00533873535811,
"formula_full": "Sr3 Sb1 N1",
"formula_reduced": "Sr3SbN",
"formula_anonymous": "ABC3",
"energy": -15.26913307,
"energy_per_atom": -3.053826614,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:53.105000Z",
"spacegroup": 221
},
{
"id": "mp-26188",
"created_at": "2022-09-04T14:43:43.027253Z",
"structure_string": "Li2 Mn4 P10 O32\n1.0\n6.824191 0.000000 0.000000\n0.000000 5.104532 0.000000\n0.000000 0.271983 18.303202\nLi Mn P O\n2 4 10 32\ndirect\n0.358339 0.741577 0.533521 Li\n0.641661 0.741577 0.033521 Li\n0.173537 0.263447 0.406583 Mn\n0.826874 0.744198 0.591440 Mn\n0.826463 0.263447 0.906583 Mn\n0.173126 0.744198 0.091440 Mn\n0.253275 0.002602 0.249234 P\n0.469744 0.254766 0.127358 P\n0.877660 0.226093 0.082379 P\n0.120707 0.783681 0.918724 P\n0.879293 0.783681 0.418724 P\n0.530256 0.254766 0.627358 P\n0.538540 0.736982 0.873274 P\n0.461460 0.736982 0.373274 P\n0.122340 0.226093 0.582379 P\n0.746725 0.002602 0.749234 P\n0.604345 0.046388 0.577361 O\n0.936929 0.072862 0.428463 O\n0.133365 0.151318 0.303048 O\n0.798519 0.664287 0.490794 O\n0.401212 0.809596 0.290660 O\n0.598788 0.809596 0.790660 O\n0.395655 0.046388 0.077361 O\n0.855037 0.841720 0.693666 O\n0.970637 0.617391 0.881306 O\n0.689635 0.786561 0.364491 O\n0.575831 0.444926 0.884942 O\n0.958373 0.375667 0.617462 O\n0.424169 0.444926 0.384942 O\n0.063071 0.072862 0.928463 O\n0.604057 0.208628 0.709776 O\n0.369858 0.913532 0.429016 O\n0.310365 0.786561 0.864491 O\n0.698964 0.222909 0.141812 O\n0.790029 0.361140 0.013374 O\n0.916005 0.930895 0.070466 O\n0.144963 0.841720 0.193666 O\n0.437250 0.541472 0.106792 O\n0.209971 0.361140 0.513374 O\n0.029363 0.617391 0.381306 O\n0.866635 0.151318 0.803048 O\n0.562750 0.541472 0.606792 O\n0.201481 0.664287 0.990794 O\n0.395943 0.208628 0.209776 O\n0.301036 0.222909 0.641812 O\n0.083995 0.930895 0.570466 O\n0.041627 0.375667 0.117462 O\n0.630142 0.913532 0.929016 O\n",
"nsites": 48,
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],
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"density": 2.7486060921662925,
"density_atomic": 0.07528475826504608,
"volume": 637.5792538379698,
"volume_molar": 7.999150025558383,
"formula_full": "Li2 Mn4 P10 O32",
"formula_reduced": "LiMn2P5O16",
"formula_anonymous": "AB2C5D16",
"energy": -374.81113544,
"energy_per_atom": -7.808565321666666,
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"updated_at": "2021-11-28T01:36:13.916000Z",
"spacegroup": 7
},
{
"id": "mp-1111136",
"created_at": "2022-09-04T14:40:30.084909Z",
"structure_string": "K2 Rb1 Au1 Cl6\n1.0\n0.000000 5.574106 5.574106\n5.574106 0.000000 5.574106\n5.574106 5.574106 0.000000\nK Rb Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.774798 0.225202 0.225202 Cl\n0.225202 0.225202 0.774798 Cl\n0.225202 0.774798 0.774798 Cl\n0.225202 0.774798 0.225202 Cl\n0.774798 0.225202 0.774798 Cl\n0.774798 0.774798 0.225202 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Rb",
"density": 2.748605859800439,
"density_atomic": 0.02886983718845626,
"volume": 346.38227901051505,
"volume_molar": 20.859628409709153,
"formula_full": "K2 Rb1 Au1 Cl6",
"formula_reduced": "K2RbAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.59480222,
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"energy_uncorrected": -28.91080222,
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"spacegroup": 225
},
{
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}